| 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 | 25.6 | Very low | 37.1 | Very low | 197 Ų | 197 | 132.1 Ų | 132.1 | 97% | 0.97 | 71% | 0.707 | S | S | * | * | 0 | 98 | 0 | -73 | 178.2 | 176.6 | 0 | 0 | 107.4 | |||||
| 2 | L | 22.8 | Very low | 40.8 | Very low | 172 Ų | 172 | 121.3 Ų | 121.3 | 90% | 0.901 | 65% | 0.649 | S | S | * | * | trans | -98.5 | 120.3 | 161.3 | -81.4 | 151.5 | 0 | 0 | 0 | 105.2 | I4 | L2-I4 PolarHBondContact O-N 3.36Š| ||
| 3 | F | 26.8 | Very low | 44.5 | Very low | 170 Ų | 170 | 111.9 Ų | 111.9 | 75% | 0.746 | 60% | 0.599 | S | S | * | * | trans | -79.7 | 102.5 | 166.9 | -89.1 | -87.6 | 0 | 0 | 0 | 107 | F5 | F3-F5 HydrophobicContact CB-CD2 3.89Å; F3-F5 HydrophobicContact CB-CE2 3.78Å; F3-F5 HydrophobicContact CG-CE2 4.31Å; F3-F5 PolarHBondContact O-N 3.37Å | ||
| 4 | I | 25.1 | Very low | 47.8 | Very low | 159 Ų | 159 | 105 Ų | 105 | 82% | 0.815 | 57% | 0.565 | S | S | * | * | trans | -69.9 | 91.9 | 160.3 | -58.6 | 172.9 | 0 | 0 | 0 | 105.4 | L2 | L2-I4 PolarHBondContact O-N 3.36Š| ||
| 5 | F | 27 | Very low | 50.7 | Low | 163 Ų | 163 | 98.5 Ų | 98.5 | 72% | 0.715 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 133.1 | 163.7 | -84 | -85.8 | 0 | 0 | 0 | 107.8 | F3 G7 | F3-F5 HydrophobicContact CB-CD2 3.89Å; F3-F5 HydrophobicContact CB-CE2 3.78Å; F3-F5 HydrophobicContact CG-CE2 4.31Å; F3-F5 PolarHBondContact O-N 3.37Å; F5-G7 PolarHBondContact O-N 3.34Å |
| 6 | P | 31 | Very low | 52.9 | Low | 117 Ų | 117 | 94.6 Ų | 94.6 | 76% | 0.76 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 131.7 | 170.8 | 27.6 | -33.2 | 0 | 0 | 0 | 108 | L8 | P6-L8 PolarHBondContact O-N 2.62Š|
| 7 | G | 36.1 | Very low | 54.8 | Low | 72 Ų | 72 | 89.8 Ų | 89.8 | 74% | 0.742 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -54 | 124.7 | -164.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F5 | F5-G7 PolarHBondContact O-N 3.34Š|
| 8 | L | 40.4 | Very low | 56.4 | Low | 142 Ų | 142 | 88 Ų | 88 | 74% | 0.743 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 132.5 | 158.1 | -83.8 | 157.5 | 0 | 0 | 0 | 107.6 | P6 L10 | P6-L8 PolarHBondContact O-N 2.62Å; L8-L10 PolarHBondContact O-N 3.37Å; L8-L10 VanDerWaalsContact O-N 3.12Å |
| 9 | P | 49.8 | Very low | 57.9 | Low | 69 Ų | 69 | 83.4 Ų | 83.4 | 45% | 0.448 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -63 | 120.2 | 178.7 | 25.5 | -33.1 | 0 | 0 | 0 | 108.7 | K11 H261 | P9-K11 WeakPolarHBondContact O-CG 3.37Å; P9-K11 PolarHBondContact O-N 2.85Å; P9-K11 VanDerWaalsContact O-N 3.13Å; P9-H261 VanDerWaalsContact CB-CE1 3.47Å; P9-H261 WeakPolarHBondContact CB-CE1 3.24Å |
| 10 | L | 55.1 | Low | 59.6 | Low | 118 Ų | 118 | 80.1 Ų | 80.1 | 62% | 0.618 | 44% | 0.436 | S | S | * | . | trans | -58.2 | 115.5 | 178.2 | -77 | 140.8 | 0 | 0 | 0 | 109.6 | L8 L303 | L8-L10 PolarHBondContact O-N 3.37Å; L8-L10 VanDerWaalsContact O-N 3.12Å; L10-L303 HydrophobicContact CB-CD1 4.25Å; L10-L303 HydrophobicContact CB-CD2 3.74Å; L10-L303 HydrophobicContact CB-CG 4.16Å; L10-L303 HydrophobicContact CD1-CG 4.33Å | ||
| 11 | K | 68.7 | Low | 61.1 | Low | 74 Ų | 74 | 76.3 Ų | 76.3 | 32% | 0.322 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 134 | -179.3 | -59.3 | -171.1 | -176.2 | -178.7 | 0 | 110.5 | P9 L220 F259 I260 H261 | P9-K11 WeakPolarHBondContact O-CG 3.37Å; P9-K11 PolarHBondContact O-N 2.85Å; P9-K11 VanDerWaalsContact O-N 3.13Å; K11-L220 HydrophobicContact CB-CD1 4.28Å; K11-L220 HydrophobicContact CB-CD2 4.46Å; K11-L220 HydrophobicContact CD-CD2 4.05Å; K11-F259 HydrophobicContact CB-CB 4Å; K11-F259 HydrophobicContact CB-CD1 4.23Å; K11-F259 HydrophobicContact CD-CB 3.97Å; K11-I260 WeakPolarHBondContact CA-O 3.36Å; K11-H261 WeakPolarHBondContact CE-NE2 3.42Å |
| 12 | I | 81.8 | Confident | 64.3 | Low | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 133.7 | 177.5 | -64 | 173.9 | 0 | 0 | 0 | 108.3 | A14 W130 F200 I260 I262 L265 L300 | I12-A14 PolarHBondContact O-N 3Å; I12-W130 HydrophobicContact CG2-CH2 4.12Å; I12-F200 HydrophobicContact CG2-CB 3.85Å; I12-F200 HydrophobicContact CG2-CD1 4.18Å; I12-F200 HydrophobicContact CG2-CG 4.4Å; I12-I260 PolarHBondContact N-O 3.13Å; I12-I260 PolarHBondContact O-N 3.05Å; I12-I262 HydrophobicContact CD1-CB 4.03Å; I12-I262 HydrophobicContact CD1-CD1 4.01Å; I12-I262 HydrophobicContact CD1-CG1 3.87Å; I12-L265 HydrophobicContact CD1-CD2 3.48Å; I12-L265 VanDerWaalsContact CD1-CD2 3.48Å; I12-L265 HydrophobicContact CG2-CD2 4.45Å; I12-L300 HydrophobicContact CD1-CD1 4.46Å |
| 13 | A | 88.9 | Confident | 67.5 | Low | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 113 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110 | F15 F200 I201 L216 I257 F259 | A13-F15 HydrophobicContact CB-CD2 4.22Å; A13-F15 HydrophobicContact CB-CE2 3.65Å; A13-F200 CarbonylContact O-C 3.6Å; A13-F200 WeakPolarHBondContact O-CA 3.47Å; A13-I201 PolarHBondContact N-O 3.02Å; A13-I201 PolarHBondContact O-N 3.37Å; A13-L216 HydrophobicContact CB-CD1 4.39Å; A13-L216 HydrophobicContact CB-CD2 3.87Å; A13-I257 HydrophobicContact CB-CG2 4.14Å; A13-F259 HydrophobicContact CB-CD1 4.08Å; A13-F259 HydrophobicContact CB-CE1 3.68Å; A13-F259 HydrophobicContact CB-CZ 4.26Å |
| 14 | A | 89.6 | Confident | 70.3 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 12% | 0.124 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 111.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | I12 F200 I257 Q258 I260 | I12-A14 PolarHBondContact O-N 3Å; A14-F200 HydrophobicContact CB-CD1 3.7Å; A14-F200 HydrophobicContact CB-CE1 3.59Å; A14-I257 VanDerWaalsContact O-CA 3.31Å; A14-I257 WeakPolarHBondContact O-CA 3.29Å; A14-Q258 WeakPolarHBondContact CB-O 3.33Å; A14-Q258 PolarHBondContact N-O 2.83Å; A14-Q258 PolarHBondContact O-N 2.79Å; A14-I260 HydrophobicContact CB-CD1 3.51Å; A14-I260 HydrophobicContact CB-CG1 4.05Å |
| 15 | F | 91.2 | Very high | 73.1 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 125.6 | 179.6 | -71.1 | -112.9 | 0 | 0 | 0 | 109.8 | A13 I21 L174 F197 I198 G199 I201 I257 | A13-F15 HydrophobicContact CB-CD2 4.22Å; A13-F15 HydrophobicContact CB-CE2 3.65Å; F15-I21 HydrophobicContact CZ-CD1 4.11Å; F15-I21 HydrophobicContact CZ-CG1 4.36Å; F15-L174 HydrophobicContact CZ-CD2 4.28Å; F15-L174 HydrophobicContact CZ-CG 4.36Å; F15-F197 HydrophobicContact CB-CD1 3.78Å; F15-F197 HydrophobicContact CB-CE1 4.44Å; F15-F197 WeakPolarHBondContact CB-O 3.22Å; F15-F197 HydrophobicContact CD1-CD1 4.34Å; F15-F197 AromaticContact CD2-CD1 3.93Å; F15-F197 HydrophobicContact CD2-CD1 3.93Å; F15-F197 HydrophobicContact CD2-CE1 4.27Å; F15-F197 AromaticContact CG-CD1 3.78Å; F15-F197 HydrophobicContact CG-CD1 3.78Å; F15-F197 HydrophobicContact CG-CE1 4.49Å; F15-I198 WeakPolarHBondContact O-CA 3.39Å; F15-G199 PolarHBondContact N-O 2.73Å; F15-G199 PolarHBondContact O-N 2.81Å; F15-G199 VanDerWaalsContact O-N 3.14Å; F15-I201 HydrophobicContact CD2-CD1 4.13Å; F15-I201 HydrophobicContact CD2-CG1 4.02Å; F15-I201 HydrophobicContact CE2-CB 4.09Å; F15-I201 HydrophobicContact CE2-CD1 3.5Å; F15-I201 VanDerWaalsContact CE2-CD1 3.5Å; F15-I201 HydrophobicContact CE2-CG1 3.66Å; F15-I201 HydrophobicContact CZ-CD1 3.78Å; F15-I201 HydrophobicContact CZ-CG1 4.45Å; F15-I257 HydrophobicContact CD1-CD1 3.66Å; F15-I257 HydrophobicContact CD1-CG1 3.77Å; F15-I257 HydrophobicContact CD2-CG2 4.4Å; F15-I257 HydrophobicContact CE1-CD1 3.31Å; F15-I257 HydrophobicContact CE1-CG1 3.97Å; F15-I257 HydrophobicContact CE2-CG2 4.39Å; F15-I257 HydrophobicContact CG-CD1 4.4Å; F15-I257 HydrophobicContact CG-CG1 4.18Å; F15-I257 HydrophobicContact CZ-CD1 3.79Å |
| 16 | S | 86.5 | Confident | 75.1 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 26% | 0.259 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 3.5 | 179.3 | 64 | 0 | 0 | 0 | 0 | 113.9 | N18 E255 P256 | S16-N18 PolarHBondContact O-N 3.07Å; S16-E255 PolarHBondContact OG-O 2.97Å; S16-P256 PolarHBondContact N-O 2.88Å; S16-P256 WeakPolarHBondContact OG-CA 3.42Å; S16-P256 PolarHBondContact OG-O 2.92Å; S16-P256 VanDerWaalsContact OG-O 3.1Å |
| 17 | G | 84.5 | Confident | 76.8 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 12% | 0.124 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 76.9 | -12.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G19 N196 F197 | G17-G19 VanDerWaalsContact C-N 3.3Å; G17-G19 PolarHBondContact O-N 2.94Å; G17-N196 WeakPolarHBondContact O-CB 3.42Å; G17-N196 PolarHBondContact O-ND2 3.34Å; G17-F197 WeakPolarHBondContact CA-O 2.92Å; G17-F197 PolarHBondContact N-O 2.81Å |
| 18 | N | 84.2 | Confident | 78.7 | Confident | 58 Ų | 58 | 58.2 Ų | 58.2 | 31% | 0.31 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -83.5 | 0.8 | -178.3 | -68.1 | -32.5 | 0 | 0 | 0 | 114.1 | S16 I231 L232 | S16-N18 PolarHBondContact O-N 3.07Å; N18-I231 PolarHBondContact O-N 3.2Å; N18-L232 HydrophobicContact CB-CD1 4.32Å |
| 19 | G | 84.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.2 | 179.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G17 Q229 | G17-G19 VanDerWaalsContact C-N 3.3Å; G17-G19 PolarHBondContact O-N 2.94Å; G19-Q229 CarbonylContact C-O 3.49Å; G19-Q229 WeakPolarHBondContact CA-O 3.27Å |
| 20 | F | 91.1 | Very high | 82.4 | Confident | 18 Ų | 18 | 52.1 Ų | 52.1 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 164.5 | -171.7 | 55 | -92.6 | 0 | 0 | 0 | 111.8 | L22 V173 Y178 Q229 I231 | F20-L22 HydrophobicContact CD2-CB 4.16Å; F20-L22 HydrophobicContact CE2-CB 3.99Å; F20-L22 HydrophobicContact CE2-CD2 4.3Å; F20-V173 HydrophobicContact CD2-CG1 3.85Å; F20-V173 HydrophobicContact CD2-CG2 4.5Å; F20-V173 HydrophobicContact CE2-CG1 4.39Å; F20-V173 HydrophobicContact CE2-CG2 4.44Å; F20-V173 HydrophobicContact CG-CG1 4.46Å; F20-Y178 AromaticContact CE2-CD2 3.99Å; F20-Y178 HydrophobicContact CE2-CD2 3.99Å; F20-Y178 HydrophobicContact CZ-CD2 4.11Å; F20-Q229 HydrophobicContact CD2-CB 4.13Å; F20-Q229 HydrophobicContact CE1-CB 4.45Å; F20-Q229 HydrophobicContact CE1-CG 4.19Å; F20-Q229 HydrophobicContact CE2-CB 3.84Å; F20-Q229 HydrophobicContact CE2-CG 3.94Å; F20-Q229 HydrophobicContact CZ-CB 4.01Å; F20-Q229 HydrophobicContact CZ-CG 3.66Å; F20-Q229 PolarHBondContact N-O 2.77Å; F20-Q229 VanDerWaalsContact N-O 3.08Å; F20-Q229 PolarHBondContact O-N 3.1Å; F20-I231 HydrophobicContact CD1-CD1 4.09Å; F20-I231 HydrophobicContact CD1-CG1 4.47Å; F20-I231 HydrophobicContact CE1-CD1 4.09Å; F20-I231 HydrophobicContact CE1-CG1 4.15Å |
| 21 | I | 92.8 | Very high | 83.9 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 136.4 | 172.7 | -62.4 | 173.4 | 0 | 0 | 0 | 108.9 | F15 V173 L174 I215 L216 T219 F226 I257 | F15-I21 HydrophobicContact CZ-CD1 4.11Å; F15-I21 HydrophobicContact CZ-CG1 4.36Å; I21-V173 VanDerWaalsContact O-CA 3.28Å; I21-V173 WeakPolarHBondContact O-CA 3.49Å; I21-L174 HydrophobicContact CB-CB 4.28Å; I21-L174 HydrophobicContact CD1-CD2 4.34Å; I21-L174 PolarHBondContact N-O 3.11Å; I21-L174 PolarHBondContact O-N 2.82Å; I21-I215 HydrophobicContact CB-CG2 4.47Å; I21-I215 HydrophobicContact CD1-CG2 4.38Å; I21-I215 HydrophobicContact CG2-CG2 3.76Å; I21-L216 HydrophobicContact CD1-CD2 3.95Å; I21-T219 HydrophobicContact CD1-CG2 3.98Å; I21-T219 HydrophobicContact CG1-CG2 4.14Å; I21-T219 VanDerWaalsContact CG2-OG1 3.28Å; I21-T219 WeakPolarHBondContact CG2-OG1 3.46Å; I21-F226 HydrophobicContact CG2-CB 4.37Å; I21-F226 HydrophobicContact CG2-CD1 3.97Å; I21-I257 HydrophobicContact CD1-CD1 4.19Å; I21-I257 HydrophobicContact CG1-CD1 3.48Å; I21-I257 VanDerWaalsContact CG1-CD1 3.48Å |
| 22 | L | 91.2 | Very high | 84.8 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 134.5 | -177.3 | 170.1 | 64.2 | 0 | 0 | 0 | 110.4 | F20 K24 I171 V173 Y178 R227 Q229 | F20-L22 HydrophobicContact CD2-CB 4.16Å; F20-L22 HydrophobicContact CE2-CB 3.99Å; F20-L22 HydrophobicContact CE2-CD2 4.3Å; L22-K24 HydrophobicContact CD1-CG 4.03Å; L22-K24 HydrophobicContact CG-CG 4.32Å; L22-I171 HydrophobicContact CD1-CG2 3.85Å; L22-V173 HydrophobicContact CB-CG2 4.41Å; L22-V173 HydrophobicContact CD1-CG2 3.47Å; L22-V173 VanDerWaalsContact CD1-CG2 3.47Å; L22-Y178 HydrophobicContact CD1-CD2 4.09Å; L22-Y178 HydrophobicContact CD1-CE2 4.07Å; L22-Y178 HydrophobicContact CD2-CE2 4.19Å; L22-R227 PolarHBondContact N-O 3.33Å; L22-R227 WeakPolarHBondContact O-CG 3.25Å; L22-R227 PolarHBondContact O-N 2.82Å; L22-Q229 HydrophobicContact CB-CB 4.36Å; L22-Q229 HydrophobicContact CD2-CB 4.41Å; L22-Q229 HydrophobicContact CD2-CG 4.34Å |
| 23 | N | 89.9 | Confident | 84.9 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 139.2 | 161.5 | -166.1 | -21.9 | 0 | 0 | 0 | 109.3 | I171 I172 H224 G225 F226 | N23-I171 WeakPolarHBondContact O-CA 3.38Å; N23-I172 HydrophobicContact CB-CB 4.47Å; N23-I172 PolarHBondContact N-O 2.92Å; N23-I172 PolarHBondContact O-N 2.93Å; N23-H224 PolarHBondContact ND2-O 3.08Å; N23-G225 PolarHBondContact OD1-O 2.83Å; N23-F226 HydrophobicContact CB-CD1 3.63Å; N23-F226 HydrophobicContact CB-CD2 4.38Å; N23-F226 HydrophobicContact CB-CE1 3.67Å; N23-F226 HydrophobicContact CB-CE2 4.41Å; N23-F226 HydrophobicContact CB-CG 4Å; N23-F226 HydrophobicContact CB-CZ 4.08Å; N23-F226 VanDerWaalsContact ND2-CD2 3.26Å; N23-F226 WeakPolarHBondContact ND2-CD2 3.22Å; N23-F226 WeakPolarHBondContact ND2-CE2 3.38Å |
| 24 | K | 86.4 | Confident | 84.9 | Confident | 87 Ų | 87 | 53.5 Ų | 53.5 | 38% | 0.378 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 102.6 | 170.7 | -63 | -163.6 | 177 | -169 | 0 | 108.2 | L22 K26 I171 Y178 | L22-K24 HydrophobicContact CD1-CG 4.03Å; L22-K24 HydrophobicContact CG-CG 4.32Å; K24-K26 HydrophobicContact CB-CG 4.3Å; K24-K26 PolarHBondContact O-N 2.9Å; K24-I171 HydrophobicContact CG-CG1 4.39Å; K24-Y178 VanDerWaalsContact CE-OH 3.3Å; K24-Y178 WeakPolarHBondContact CE-OH 3.42Å; K24-Y178 PolarHBondContact NZ-OH 2.7Å |
| 25 | L | 83.3 | Confident | 85 | Confident | 22 Ų | 22 | 53 Ų | 53 | 12% | 0.115 | 26% | 0.264 | C | S | . | . | trans | -73.5 | 40.9 | -174.2 | -58.9 | 173 | 0 | 0 | 0 | 113.1 | N27 R28 I30 T169 Q170 I172 | L25-N27 PolarHBondContact O-N 2.98Å; L25-R28 CarbonylContact O-C 3.48Å; L25-R28 VanDerWaalsContact O-C 3.23Å; L25-R28 PolarHBondContact O-N 2.8Å; L25-R28 VanDerWaalsContact O-N 3.15Å; L25-I30 HydrophobicContact CD1-CD1 3.69Å; L25-I30 HydrophobicContact CD1-CG1 4.09Å; L25-T169 HydrophobicContact CD1-CG2 4.03Å; L25-Q170 WeakPolarHBondContact CB-O 3.45Å; L25-Q170 PolarHBondContact N-O 2.93Å; L25-I172 HydrophobicContact CD1-CD1 4.12Å; L25-I172 HydrophobicContact CD1-CG1 4.32Å | ||
| 26 | K | 69.3 | Low | 85.2 | Confident | 178 Ų | 178 | 55.3 Ų | 55.3 | 77% | 0.774 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -30 | -173.8 | -70.5 | -167.7 | 177.6 | -166.1 | 0 | 114.1 | K24 | K24-K26 HydrophobicContact CB-CG 4.3Å; K24-K26 PolarHBondContact O-N 2.9Å |
| 27 | N | 66.5 | Low | 85.6 | Confident | 159 Ų | 159 | 53.6 Ų | 53.6 | 85% | 0.85 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -24.4 | -174.2 | -61.3 | 0.4 | 0 | 0 | 0 | 112.9 | L25 | L25-N27 PolarHBondContact O-N 2.98Š|
| 28 | R | 76.5 | Confident | 86 | Confident | 215 Ų | 215 | 54 Ų | 54 | 81% | 0.811 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -157.1 | 89 | 179.3 | -72.4 | -166.9 | 178.4 | -175.1 | -1.3 | 109.4 | L25 | L25-R28 CarbonylContact O-C 3.48Å; L25-R28 VanDerWaalsContact O-C 3.23Å; L25-R28 PolarHBondContact O-N 2.8Å; L25-R28 VanDerWaalsContact O-N 3.15Å |
| 29 | P | 82.4 | Confident | 86.5 | Confident | 60 Ų | 60 | 51.3 Ų | 51.3 | 39% | 0.39 | 24% | 0.244 | S | C | . | . | trans | -66.2 | 153.6 | 169 | 30.4 | -35.2 | 0 | 0 | 0 | 110.4 | T169 Q170 | P29-T169 WeakPolarHBondContact CA-O 3.47Å; P29-Q170 HydrophobicContact CB-CG 3.88Å | ||
| 30 | I | 85.4 | Confident | 86.7 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 12% | 0.118 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.4 | 179.7 | -59.9 | 160 | 0 | 0 | 0 | 108.2 | L25 H168 T169 F206 A208 L211 M213 | L25-I30 HydrophobicContact CD1-CD1 3.69Å; L25-I30 HydrophobicContact CD1-CG1 4.09Å; I30-H168 CarbonylContact O-C 3.58Å; I30-H168 WeakPolarHBondContact O-CA 3.01Å; I30-T169 PolarHBondContact N-O 2.9Å; I30-T169 PolarHBondContact O-N 2.71Å; I30-F206 HydrophobicContact CD1-CE1 4.15Å; I30-A208 HydrophobicContact CG2-CB 3.71Å; I30-L211 HydrophobicContact CD1-CD2 3.62Å; I30-L211 HydrophobicContact CG1-CD2 4.03Å; I30-M213 HydrophobicContact CD1-CE 3.76Å |
| 31 | T | 86.4 | Confident | 86.7 | Confident | 88 Ų | 88 | 50.7 Ų | 50.7 | 54% | 0.54 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 107.5 | 169.5 | 49.8 | 0 | 0 | 0 | 0 | 108.5 | L167 H168 | T31-L167 WeakPolarHBondContact CA-O 3.43Å; T31-H168 HydrophobicContact CG2-CB 4.38Å; T31-H168 VanDerWaalsContact CG2-ND1 3.26Å; T31-H168 WeakPolarHBondContact CG2-ND1 3.35Å |
| 32 | S | 87.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 147.7 | -170.4 | 46.2 | 0 | 0 | 0 | 0 | 114.5 | E35 R137 L166 L167 D209 | S32-E35 VanDerWaalsContact CB-OE1 3.29Å; S32-E35 WeakPolarHBondContact CB-OE1 3.15Å; S32-E35 PolarHBondContact OG-OE1 2.79Å; S32-R137 PolarHBondContact O-NH2 3.41Å; S32-L166 WeakPolarHBondContact O-CA 3.49Å; S32-L167 PolarHBondContact N-O 2.85Å; S32-L167 PolarHBondContact O-N 2.85Å; S32-D209 VanDerWaalsContact CA-OD2 3.23Å; S32-D209 WeakPolarHBondContact CA-OD2 3.09Å; S32-D209 WeakPolarHBondContact CB-OD2 3.46Å |
| 33 | T | 84.4 | Confident | 86.3 | Confident | 38 Ų | 38 | 50.7 Ų | 50.7 | 23% | 0.233 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -92.7 | -29.4 | 172.4 | 45.6 | 0 | 0 | 0 | 0 | 112.3 | R137 N139 L164 L166 D209 | T33-R137 PolarHBondContact O-NH1 2.87Å; T33-R137 PolarHBondContact O-NH2 2.89Å; T33-N139 WeakPolarHBondContact O-CA 3.43Å; T33-N139 PolarHBondContact O-N 3.27Å; T33-L164 HydrophobicContact CG2-CB 4.31Å; T33-L164 HydrophobicContact CG2-CD1 4.27Å; T33-L164 HydrophobicContact CG2-CD2 4.04Å; T33-L164 HydrophobicContact CG2-CG 4.44Å; T33-L166 HydrophobicContact CG2-CD2 3.57Å; T33-D209 WeakPolarHBondContact CA-OD1 3.27Å; T33-D209 PolarHBondContact N-OD1 2.91Å; T33-D209 PolarHBondContact N-OD2 3.46Å; T33-D209 PolarHBondContact OG1-OD1 3.42Å |
| 34 | E | 89.1 | Confident | 86.2 | Confident | 98 Ų | 98 | 54.9 Ų | 54.9 | 46% | 0.458 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 136.6 | 178.6 | -48.8 | -163.7 | 131 | 0 | 0 | 110 | R137 S138 A208 D209 | E34-R137 CarbonylContact C-O 3.4Å; E34-R137 WeakPolarHBondContact CA-O 3.14Å; E34-S138 WeakPolarHBondContact OE1-CB 3.43Å; E34-A208 CarbonylContact O-C 3.04Å; E34-A208 WeakPolarHBondContact O-CA 3.04Å; E34-D209 PolarHBondContact N-OD1 2.83Å; E34-D209 PolarHBondContact O-N 2.88Å |
| 35 | E | 92.1 | Very high | 86.3 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 144 | 170.4 | -62.1 | 87.7 | -136.3 | 0 | 0 | 111 | S32 E136 R137 L167 F206 Q207 | S32-E35 VanDerWaalsContact CB-OE1 3.29Å; S32-E35 WeakPolarHBondContact CB-OE1 3.15Å; S32-E35 PolarHBondContact OG-OE1 2.79Å; E35-E136 WeakPolarHBondContact O-CA 3.18Å; E35-R137 VanDerWaalsContact CD-NH2 3.25Å; E35-R137 PolarHBondContact N-O 3.46Å; E35-R137 PolarHBondContact O-N 3.06Å; E35-R137 IonicContact OE1-CZ 2.74Å; E35-R137 IonicContact OE1-NE 3.78Å; E35-R137 IonicContact OE1-NH2 2.73Å; E35-R137 PolarHBondContact OE1-NH2 3.29Å; E35-R137 IonicContact OE2-CZ 3.51Å; E35-R137 VanDerWaalsContact OE2-CZ 3.26Å; E35-R137 IonicContact OE2-NE 2.67Å; E35-R137 PolarHBondContact OE2-NE 2.67Å; E35-R137 IonicContact OE2-NH2 3.15Å; E35-R137 PolarHBondContact OE2-NH2 3.13Å; E35-L167 HydrophobicContact CG-CD2 4.1Å; E35-F206 HydrophobicContact CG-CZ 4.45Å; E35-Q207 CarbonylContact C-O 3.59Å; E35-Q207 VanDerWaalsContact CA-O 3.3Å; E35-Q207 WeakPolarHBondContact CA-O 3.3Å |
| 36 | R | 94.4 | Very high | 86.5 | Confident | 55 Ų | 55 | 54.8 Ų | 54.8 | 21% | 0.208 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 118.5 | 169.5 | 177.8 | 174 | -171.7 | -76.4 | -9 | 109.4 | E38 I134 L135 E136 Q207 | R36-E38 IonicContact CZ-OE2 2.71Å; R36-E38 VanDerWaalsContact CZ-OE2 3.24Å; R36-E38 IonicContact NH1-OE2 2.8Å; R36-E38 PolarHBondContact NH1-OE2 2.96Å; R36-E38 IonicContact NH2-OE2 3.18Å; R36-E38 PolarHBondContact NH2-OE2 3.02Å; R36-I134 HydrophobicContact CG-CG2 4.43Å; R36-L135 CarbonylContact C-O 3.33Å; R36-L135 WeakPolarHBondContact CA-O 3.36Å; R36-E136 HydrophobicContact CB-CG 4.08Å; R36-E136 WeakPolarHBondContact CD-OE1 3.46Å; R36-E136 HydrophobicContact CG-CG 3.69Å; R36-E136 IonicContact CZ-OE1 3.61Å; R36-E136 IonicContact NE-OE1 3.52Å; R36-E136 PolarHBondContact NE-OE1 2.93Å; R36-E136 IonicContact NH2-OE1 3.96Å; R36-Q207 HydrophobicContact CB-CB 4.18Å; R36-Q207 PolarHBondContact N-O 3.27Å; R36-Q207 PolarHBondContact O-N 2.81Å |
| 37 | I | 95.1 | Very high | 87.4 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120.6 | 175.4 | -62.4 | 161 | 0 | 0 | 0 | 107.1 | I39 F51 L60 L62 I134 L135 F206 | I37-I39 HydrophobicContact CG2-CD1 3.77Å; I37-I39 HydrophobicContact CG2-CG1 3.87Å; I37-F51 HydrophobicContact CD1-CD1 3.69Å; I37-F51 HydrophobicContact CD1-CE1 3.46Å; I37-F51 VanDerWaalsContact CD1-CE1 3.46Å; I37-F51 HydrophobicContact CD1-CZ 4.45Å; I37-F51 HydrophobicContact CG1-CD1 4.29Å; I37-F51 HydrophobicContact CG1-CE1 3.86Å; I37-F51 HydrophobicContact CG1-CZ 4.42Å; I37-F51 HydrophobicContact CG2-CD1 4.15Å; I37-F51 HydrophobicContact CG2-CE1 4.37Å; I37-F51 HydrophobicContact CG2-CG 4.37Å; I37-L60 HydrophobicContact CD1-CD2 3.58Å; I37-L60 HydrophobicContact CD1-CG 3.98Å; I37-L62 HydrophobicContact CG2-CD1 4.05Å; I37-I134 CarbonylContact O-C 3.58Å; I37-I134 WeakPolarHBondContact O-CA 3.4Å; I37-L135 HydrophobicContact CB-CB 4.44Å; I37-L135 HydrophobicContact CD1-CD2 4.44Å; I37-L135 PolarHBondContact N-O 2.95Å; I37-L135 PolarHBondContact O-N 3.3Å; I37-F206 HydrophobicContact CG1-CD2 4.02Å |
| 38 | E | 94.2 | Very high | 88.6 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 9% | 0.093 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 118.6 | 174.3 | 179.5 | 175 | 170.2 | 0 | 0 | 110 | R36 I133 I134 K203 A204 I205 | R36-E38 IonicContact CZ-OE2 2.71Å; R36-E38 VanDerWaalsContact CZ-OE2 3.24Å; R36-E38 IonicContact NH1-OE2 2.8Å; R36-E38 PolarHBondContact NH1-OE2 2.96Å; R36-E38 IonicContact NH2-OE2 3.18Å; R36-E38 PolarHBondContact NH2-OE2 3.02Å; E38-I133 WeakPolarHBondContact CA-O 3.33Å; E38-I134 HydrophobicContact CB-CG1 4.27Å; E38-I134 HydrophobicContact CG-CG1 3.9Å; E38-K203 HydrophobicContact CG-CD 4.37Å; E38-K203 WeakPolarHBondContact OE1-CE 3.13Å; E38-K203 IonicContact OE1-NZ 3.48Å; E38-K203 PolarHBondContact OE1-NZ 2.91Å; E38-K203 IonicContact OE2-NZ 2.73Å; E38-K203 PolarHBondContact OE2-NZ 3.04Å; E38-A204 CarbonylContact O-C 3.58Å; E38-A204 WeakPolarHBondContact O-CA 3.46Å; E38-I205 PolarHBondContact N-O 2.96Å; E38-I205 PolarHBondContact O-N 2.93Å |
| 39 | I | 93.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 126.5 | -178.6 | -55.8 | 171.3 | 0 | 0 | 0 | 109.5 | I37 F41 F51 L62 S132 I133 L174 I201 K203 | I37-I39 HydrophobicContact CG2-CD1 3.77Å; I37-I39 HydrophobicContact CG2-CG1 3.87Å; I39-F41 HydrophobicContact CG2-CB 4.44Å; I39-F41 HydrophobicContact CG2-CD1 4.16Å; I39-F51 HydrophobicContact CD1-CB 3.59Å; I39-F51 HydrophobicContact CD1-CD2 4.29Å; I39-F51 HydrophobicContact CD1-CG 4.05Å; I39-L62 HydrophobicContact CD1-CD1 4.35Å; I39-S132 WeakPolarHBondContact O-CA 3.44Å; I39-I133 PolarHBondContact N-O 3.02Å; I39-I133 PolarHBondContact O-N 2.86Å; I39-L174 HydrophobicContact CD1-CD1 3.97Å; I39-L174 HydrophobicContact CG1-CD1 4.43Å; I39-I201 HydrophobicContact CG2-CG2 4.13Å; I39-K203 WeakPolarHBondContact CA-O 3.42Å |
| 40 | E | 89.7 | Confident | 89.6 | Confident | 5 Ų | 5 | 26.8 Ų | 26.8 | 2% | 0.023 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.4 | 170.2 | -66.4 | -176.3 | 154.4 | 0 | 0 | 110.1 | H131 I201 S202 K203 T297 | E40-H131 WeakPolarHBondContact CA-O 3.45Å; E40-I201 WeakPolarHBondContact O-CA 3.03Å; E40-I201 VanDerWaalsContact O-CG2 3.28Å; E40-I201 WeakPolarHBondContact O-CG2 3.23Å; E40-S202 WeakPolarHBondContact CB-OG 3.28Å; E40-S202 PolarHBondContact O-N 3.06Å; E40-S202 PolarHBondContact OE2-OG 3.45Å; E40-K203 HydrophobicContact CB-CB 3.94Å; E40-K203 HydrophobicContact CG-CB 3.92Å; E40-K203 HydrophobicContact CG-CD 4.38Å; E40-K203 PolarHBondContact N-O 3.2Å; E40-T297 VanDerWaalsContact CD-OG1 3.26Å; E40-T297 WeakPolarHBondContact OE1-CB 3.43Å; E40-T297 WeakPolarHBondContact OE1-CG2 3.34Å; E40-T297 PolarHBondContact OE1-OG1 3.13Å |
| 41 | F | 90.7 | Very high | 90 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 164.2 | -172.8 | 72.2 | -79.5 | 0 | 0 | 0 | 113.7 | I39 T43 L50 M64 L125 W130 H131 I133 F197 F200 I201 | I39-F41 HydrophobicContact CG2-CB 4.44Å; I39-F41 HydrophobicContact CG2-CD1 4.16Å; F41-T43 HydrophobicContact CD2-CG2 4.24Å; F41-T43 HydrophobicContact CE2-CG2 4.05Å; F41-L50 HydrophobicContact CD1-CD2 4.46Å; F41-L50 HydrophobicContact CD2-CD2 4.21Å; F41-L50 HydrophobicContact CE1-CD1 4.27Å; F41-L50 HydrophobicContact CE2-CD2 4.38Å; F41-L50 HydrophobicContact CG-CD2 4.25Å; F41-L50 HydrophobicContact CZ-CD1 4.18Å; F41-M64 HydrophobicContact CD2-CE 4.45Å; F41-M64 HydrophobicContact CE2-CE 3.88Å; F41-M64 HydrophobicContact CE2-SD 3.5Å; F41-M64 VanDerWaalsContact CE2-SD 3.5Å; F41-M64 HydrophobicContact CZ-SD 3.79Å; F41-L125 HydrophobicContact CE2-CB 4.4Å; F41-L125 HydrophobicContact CZ-CB 4.14Å; F41-L125 HydrophobicContact CZ-CD1 4.25Å; F41-L125 HydrophobicContact CZ-CD2 4.2Å; F41-L125 HydrophobicContact CZ-CG 4.43Å; F41-W130 WeakPolarHBondContact O-CA 3.16Å; F41-H131 HydrophobicContact CE1-CB 4.08Å; F41-H131 HydrophobicContact CZ-CB 4.14Å; F41-H131 PolarHBondContact N-O 3.32Å; F41-H131 PolarHBondContact O-N 2.94Å; F41-I133 HydrophobicContact CE1-CD1 3.52Å; F41-I133 HydrophobicContact CE1-CG1 3.94Å; F41-I133 HydrophobicContact CZ-CD1 3.98Å; F41-F197 HydrophobicContact CB-CE2 4.43Å; F41-F197 HydrophobicContact CB-CZ 3.94Å; F41-F197 AromaticContact CD2-CE2 3.76Å; F41-F197 HydrophobicContact CD2-CE2 3.76Å; F41-F197 AromaticContact CD2-CZ 3.99Å; F41-F197 HydrophobicContact CD2-CZ 3.99Å; F41-F197 HydrophobicContact CG-CE2 4.4Å; F41-F197 HydrophobicContact CG-CZ 4.37Å; F41-F200 CarbonylContact C-O 3.55Å; F41-F200 WeakPolarHBondContact CA-O 3.27Å; F41-F200 WeakPolarHBondContact CB-O 3.27Å; F41-I201 HydrophobicContact CB-CG1 4.16Å |
| 42 | Q | 87.5 | Confident | 90.2 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.009 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 129.3 | 175.6 | 177.1 | -178.3 | 32.2 | 0 | 0 | 110 | N128 Q129 W130 G199 F200 | Q42-N128 PolarHBondContact NE2-O 2.93Å; Q42-Q129 WeakPolarHBondContact CA-O 3.05Å; Q42-Q129 WeakPolarHBondContact CG-O 3.48Å; Q42-W130 HydrophobicContact CB-CD2 3.82Å; Q42-W130 HydrophobicContact CB-CE3 4.17Å; Q42-W130 HydrophobicContact CB-CG 4.23Å; Q42-W130 HydrophobicContact CB-CH2 4.35Å; Q42-W130 HydrophobicContact CB-CZ2 4.01Å; Q42-W130 HydrophobicContact CB-CZ3 4.41Å; Q42-W130 VanDerWaalsContact OE1-NE1 3.13Å; Q42-G199 WeakPolarHBondContact O-CA 3.43Å; Q42-F200 PolarHBondContact N-O 2.65Å; Q42-F200 PolarHBondContact O-N 2.65Å |
| 43 | T | 89.3 | Confident | 90.4 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.018 | 11% | 0.107 | C | C | . | . | trans | -153 | 164.4 | 178.6 | -168.6 | 0 | 0 | 0 | 0 | 114.4 | F41 E45 M64 L125 N128 F197 I198 | F41-T43 HydrophobicContact CD2-CG2 4.24Å; F41-T43 HydrophobicContact CE2-CG2 4.05Å; T43-E45 PolarHBondContact OG1-N 3.3Å; T43-M64 HydrophobicContact CG2-CE 3.67Å; T43-M64 HydrophobicContact CG2-SD 4.11Å; T43-L125 WeakPolarHBondContact CG2-O 3.49Å; T43-N128 WeakPolarHBondContact O-CA 3.26Å; T43-N128 PolarHBondContact O-N 2.85Å; T43-F197 HydrophobicContact CG2-CE2 4.09Å; T43-I198 WeakPolarHBondContact CB-O 3.49Å; T43-I198 PolarHBondContact OG1-O 2.81Å | ||
| 44 | K | 87.2 | Confident | 90.5 | Very high | 92 Ų | 92 | 20.1 Ų | 20.1 | 40% | 0.4 | 10% | 0.096 | S | C | . | . | trans | -107.6 | -7 | 166.4 | -68.5 | -176.4 | -175.7 | -156.4 | 0 | 113.1 | S46 N128 D552 S555 | K44-S46 PolarHBondContact O-N 3.43Å; K44-N128 HydrophobicContact CD-CB 4.32Å; K44-N128 WeakPolarHBondContact CE-ND2 3.37Å; K44-N128 WeakPolarHBondContact CE-OD1 3.01Å; K44-N128 HydrophobicContact CG-CB 3.72Å; K44-D552 WeakPolarHBondContact CE-OD2 3.32Å; K44-D552 IonicContact NZ-OD2 3.78Å; K44-D552 PolarHBondContact NZ-OD2 3.09Å; K44-S555 WeakPolarHBondContact CE-OG 3.29Å; K44-S555 PolarHBondContact NZ-OG 3.16Å | ||
| 45 | E | 88.1 | Confident | 90.2 | Very high | 73 Ų | 73 | 15.7 Ų | 15.7 | 34% | 0.341 | 8% | 0.076 | S | C | . | . | trans | -84.6 | 111 | -172 | -73.1 | -53 | 142.7 | 0 | 0 | 112.5 | T43 N47 I198 | T43-E45 PolarHBondContact OG1-N 3.3Å; E45-N47 PolarHBondContact O-N 2.96Å; E45-N47 VanDerWaalsContact O-N 3.17Å; E45-I198 HydrophobicContact CG-CB 3.94Å; E45-I198 HydrophobicContact CG-CD1 4.17Å; E45-I198 HydrophobicContact CG-CG1 4.37Å | ||
| 46 | S | 87.5 | Confident | 89.3 | Confident | 34 Ų | 34 | 21 Ų | 21 | 24% | 0.238 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -61.1 | -21.3 | 177.1 | 64.5 | 0 | 0 | 0 | 0 | 114.5 | K44 V65 N66 G67 D126 | K44-S46 PolarHBondContact O-N 3.43Å; S46-V65 CarbonylContact O-C 3.57Å; S46-N66 CarbonylContact O-C 3.42Å; S46-N66 WeakPolarHBondContact O-CA 3.35Å; S46-N66 PolarHBondContact O-N 2.86Å; S46-G67 PolarHBondContact O-N 3.4Å; S46-D126 WeakPolarHBondContact CB-OD2 3.28Å |
| 47 | N | 89.3 | Confident | 88.3 | Confident | 23 Ų | 23 | 21.8 Ų | 21.8 | 12% | 0.123 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -141.8 | 107.7 | -174.5 | -72.4 | -74.2 | 0 | 0 | 0 | 110.9 | E45 M64 V65 N66 I192 N195 | E45-N47 PolarHBondContact O-N 2.96Å; E45-N47 VanDerWaalsContact O-N 3.17Å; N47-M64 WeakPolarHBondContact CA-O 3.38Å; N47-V65 VanDerWaalsContact OD1-CA 3.31Å; N47-V65 WeakPolarHBondContact OD1-CA 3.44Å; N47-N66 PolarHBondContact ND2-OD1 3.18Å; N47-N66 VanDerWaalsContact ND2-OD1 3.08Å; N47-N66 PolarHBondContact OD1-N 2.93Å; N47-I192 WeakPolarHBondContact OD1-CG2 3.2Å; N47-N195 WeakPolarHBondContact O-CB 3.15Å; N47-N195 PolarHBondContact O-ND2 3.31Å |
| 48 | S | 89.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 160.7 | 176.5 | 57.9 | 0 | 0 | 0 | 0 | 113.2 | M64 N196 | S48-M64 PolarHBondContact N-O 2.86Å; S48-M64 VanDerWaalsContact N-O 3.1Å; S48-M64 PolarHBondContact O-N 2.93Å; S48-M64 VanDerWaalsContact OG-CE 3.23Å; S48-M64 WeakPolarHBondContact OG-CE 3.23Å; S48-N196 WeakPolarHBondContact CB-O 3.4Å |
| 49 | S | 88.2 | Confident | 87.4 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 119.7 | 172.7 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | D63 G175 G176 N195 | S49-D63 WeakPolarHBondContact CA-OD1 3.41Å; S49-G175 CarbonylContact O-C 3.55Å; S49-G175 WeakPolarHBondContact O-CA 3.23Å; S49-G176 WeakPolarHBondContact CB-O 3.46Å; S49-G176 PolarHBondContact OG-O 3.38Å; S49-N195 PolarHBondContact N-O 3.43Å |
| 50 | L | 91.7 | Very high | 87.3 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -54.6 | 179.9 | -79.7 | 172.8 | 0 | 0 | 0 | 111.9 | F41 L62 M64 I133 G175 F197 | F41-L50 HydrophobicContact CD1-CD2 4.46Å; F41-L50 HydrophobicContact CD2-CD2 4.21Å; F41-L50 HydrophobicContact CE1-CD1 4.27Å; F41-L50 HydrophobicContact CE2-CD2 4.38Å; F41-L50 HydrophobicContact CG-CD2 4.25Å; F41-L50 HydrophobicContact CZ-CD1 4.18Å; L50-L62 HydrophobicContact CB-CB 4.26Å; L50-L62 WeakPolarHBondContact CB-O 3.38Å; L50-L62 PolarHBondContact N-O 3.35Å; L50-M64 HydrophobicContact CD1-CE 4.09Å; L50-M64 HydrophobicContact CD1-CG 3.75Å; L50-M64 HydrophobicContact CD1-SD 4.07Å; L50-M64 HydrophobicContact CD2-CE 3.72Å; L50-M64 HydrophobicContact CG-CE 3.85Å; L50-M64 HydrophobicContact CG-CG 4.26Å; L50-M64 HydrophobicContact CG-SD 4.48Å; L50-I133 HydrophobicContact CD1-CD1 3.88Å; L50-G175 PolarHBondContact O-N 3.05Å; L50-F197 HydrophobicContact CD2-CD2 3.66Å; L50-F197 HydrophobicContact CD2-CE2 3.83Å; L50-F197 HydrophobicContact CD2-CG 4.45Å |
| 51 | F | 94 | Very high | 87.3 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 148.1 | -171.8 | -179.4 | -94.6 | 0 | 0 | 0 | 112.4 | I37 I39 S53 R61 L62 I172 V173 L174 F206 I215 | I37-F51 HydrophobicContact CD1-CD1 3.69Å; I37-F51 HydrophobicContact CD1-CE1 3.46Å; I37-F51 VanDerWaalsContact CD1-CE1 3.46Å; I37-F51 HydrophobicContact CD1-CZ 4.45Å; I37-F51 HydrophobicContact CG1-CD1 4.29Å; I37-F51 HydrophobicContact CG1-CE1 3.86Å; I37-F51 HydrophobicContact CG1-CZ 4.42Å; I37-F51 HydrophobicContact CG2-CD1 4.15Å; I37-F51 HydrophobicContact CG2-CE1 4.37Å; I37-F51 HydrophobicContact CG2-CG 4.37Å; I39-F51 HydrophobicContact CD1-CB 3.59Å; I39-F51 HydrophobicContact CD1-CD2 4.29Å; I39-F51 HydrophobicContact CD1-CG 4.05Å; F51-S53 WeakPolarHBondContact CE1-OG 3.43Å; F51-R61 CarbonylContact O-C 3.58Å; F51-R61 WeakPolarHBondContact O-CA 3.16Å; F51-L62 HydrophobicContact CB-CB 4.28Å; F51-L62 HydrophobicContact CB-CD1 4.35Å; F51-L62 PolarHBondContact N-O 3.35Å; F51-L62 VanDerWaalsContact N-O 3.11Å; F51-L62 PolarHBondContact O-N 3.31Å; F51-I172 HydrophobicContact CE2-CG2 3.63Å; F51-I172 HydrophobicContact CZ-CG2 3.83Å; F51-V173 CarbonylContact C-O 3.53Å; F51-V173 WeakPolarHBondContact CA-O 3.5Å; F51-V173 VanDerWaalsContact CD2-O 3.28Å; F51-V173 WeakPolarHBondContact CD2-O 3.5Å; F51-L174 HydrophobicContact CB-CD1 4.47Å; F51-L174 HydrophobicContact CD2-CB 4.46Å; F51-L174 HydrophobicContact CD2-CD1 3.97Å; F51-F206 HydrophobicContact CE1-CD2 4.09Å; F51-F206 HydrophobicContact CE1-CE2 4.47Å; F51-F206 HydrophobicContact CZ-CB 4.42Å; F51-F206 AromaticContact CZ-CD2 3.56Å; F51-F206 HydrophobicContact CZ-CD2 3.56Å; F51-F206 HydrophobicContact CZ-CE2 4.21Å; F51-F206 HydrophobicContact CZ-CG 4.3Å; F51-I215 HydrophobicContact CD2-CD1 4.37Å; F51-I215 HydrophobicContact CE2-CD1 3.69Å |
| 52 | C | 91.4 | Very high | 87.4 | Confident | 7 Ų | 7 | 25.5 Ų | 25.5 | 5% | 0.047 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 128.4 | 177.3 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | L59 L60 R61 I172 V173 | C52-L59 VanDerWaalsContact SG-CD1 3.6Å; C52-L60 WeakPolarHBondContact CA-O 3.45Å; C52-R61 HydrophobicContact CB-CB 4.47Å; C52-R61 HydrophobicContact CB-CG 4.37Å; C52-I172 CarbonylContact O-C 3.59Å; C52-I172 WeakPolarHBondContact O-CA 3.21Å; C52-V173 HydrophobicContact CB-CB 4.34Å; C52-V173 PolarHBondContact N-O 2.95Å; C52-V173 PolarHBondContact O-N 2.8Å |
| 53 | S | 90.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 132.7 | 174.4 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | F51 L60 I171 | F51-S53 WeakPolarHBondContact CE1-OG 3.43Å; S53-L60 PolarHBondContact N-O 2.63Å; S53-L60 PolarHBondContact O-N 3.17Å; S53-I171 WeakPolarHBondContact CA-O 3.39Å |
| 54 | G | 87.5 | Confident | 87.6 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161 | -156.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q58 H168 Q170 I171 | G54-Q58 CarbonylContact C-O 3.44Å; G54-Q58 VanDerWaalsContact CA-O 3.26Å; G54-Q58 WeakPolarHBondContact CA-O 3.02Å; G54-H168 CarbonylContact C-O 3.54Å; G54-H168 VanDerWaalsContact C-O 3.31Å; G54-Q170 PolarHBondContact O-N 2.79Å; G54-I171 PolarHBondContact N-O 2.94Å; G54-I171 PolarHBondContact O-N 3.22Å |
| 55 | S | 82.6 | Confident | 87.6 | Confident | 5 Ų | 5 | 21.8 Ų | 21.8 | 4% | 0.035 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 177.9 | 180 | 52.9 | 0 | 0 | 0 | 0 | 109.9 | T57 Q58 H168 L180 | S55-T57 PolarHBondContact O-N 3.18Å; S55-Q58 PolarHBondContact N-O 2.89Å; S55-Q58 PolarHBondContact O-N 3.01Å; S55-H168 WeakPolarHBondContact CB-O 3.48Å; S55-H168 PolarHBondContact N-O 2.83Å; S55-H168 PolarHBondContact OG-CD2 2.82Å; S55-H168 PolarHBondContact OG-O 3.02Å; S55-L180 WeakPolarHBondContact O-CD2 3.37Å |
| 56 | E | 74.2 | Confident | 87.5 | Confident | 114 Ų | 114 | 23 Ų | 23 | 53% | 0.533 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -10.3 | -174 | -60.5 | -176.3 | 158.4 | 0 | 0 | 114.6 | L180 | E56-L180 HydrophobicContact CG-CB 4.42Å; E56-L180 HydrophobicContact CG-CD2 4.01Å |
| 57 | T | 73 | Confident | 87.4 | Confident | 72 Ų | 72 | 21.3 Ų | 21.3 | 44% | 0.442 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -2.7 | 179.9 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | S55 H74 | S55-T57 PolarHBondContact O-N 3.18Å; T57-H74 PolarHBondContact O-CD2 3.4Å |
| 58 | Q | 83.4 | Confident | 87.4 | Confident | 30 Ų | 30 | 21.3 Ų | 21.3 | 14% | 0.14 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 130.5 | -176.2 | -45.6 | -173 | 8.8 | 0 | 0 | 109.6 | G54 S55 H74 L166 L167 | G54-Q58 CarbonylContact C-O 3.44Å; G54-Q58 VanDerWaalsContact CA-O 3.26Å; G54-Q58 WeakPolarHBondContact CA-O 3.02Å; S55-Q58 PolarHBondContact N-O 2.89Å; S55-Q58 PolarHBondContact O-N 3.01Å; Q58-H74 CarbonylContact C-O 3.55Å; Q58-H74 WeakPolarHBondContact CA-O 3.45Å; Q58-L166 PolarHBondContact OE1-O 3.03Å; Q58-L166 VanDerWaalsContact OE1-O 3.1Å; Q58-L167 HydrophobicContact CB-CD1 4.1Å |
| 59 | L | 86.4 | Confident | 87.5 | Confident | 35 Ų | 35 | 21.4 Ų | 21.4 | 18% | 0.183 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 132.6 | -167.7 | -159.3 | 70.5 | 0 | 0 | 0 | 112.4 | C52 F72 L73 H74 L180 | C52-L59 VanDerWaalsContact SG-CD1 3.6Å; L59-F72 HydrophobicContact CB-CE1 4.35Å; L59-F72 HydrophobicContact CD2-CD1 4.17Å; L59-F72 HydrophobicContact CD2-CE1 4.04Å; L59-L73 CarbonylContact O-C 3.46Å; L59-L73 VanDerWaalsContact O-CA 3.31Å; L59-L73 WeakPolarHBondContact O-CA 3.48Å; L59-H74 HydrophobicContact CB-CB 4.29Å; L59-H74 PolarHBondContact N-O 3.33Å; L59-H74 PolarHBondContact O-N 2.74Å; L59-L180 HydrophobicContact CD1-CD1 4.1Å |
| 60 | L | 90.1 | Very high | 87.6 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 118.3 | 166.1 | 173 | 57 | 0 | 0 | 0 | 107.8 | I37 C52 S53 F72 L73 L135 L167 | I37-L60 HydrophobicContact CD1-CD2 3.58Å; I37-L60 HydrophobicContact CD1-CG 3.98Å; C52-L60 WeakPolarHBondContact CA-O 3.45Å; S53-L60 PolarHBondContact N-O 2.63Å; S53-L60 PolarHBondContact O-N 3.17Å; L60-F72 WeakPolarHBondContact CA-O 3.33Å; L60-L73 HydrophobicContact CB-CD1 4.14Å; L60-L73 HydrophobicContact CD1-CB 4.49Å; L60-L73 HydrophobicContact CD1-CD1 4.2Å; L60-L135 HydrophobicContact CD1-CD1 3.99Å; L60-L135 HydrophobicContact CD1-CD2 4.4Å; L60-L135 HydrophobicContact CD2-CD2 4.17Å; L60-L167 HydrophobicContact CB-CD2 3.88Å; L60-L167 HydrophobicContact CD2-CD2 4.09Å |
| 61 | R | 89.8 | Confident | 87.5 | Confident | 41 Ų | 41 | 23 Ų | 23 | 16% | 0.155 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 139.9 | -175.2 | 176 | 176.6 | 174.5 | 179 | -5.3 | 111.5 | F51 C52 D63 F72 S193 | F51-R61 CarbonylContact O-C 3.58Å; F51-R61 WeakPolarHBondContact O-CA 3.16Å; C52-R61 HydrophobicContact CB-CB 4.47Å; C52-R61 HydrophobicContact CB-CG 4.37Å; R61-D63 IonicContact CZ-OD1 3.24Å; R61-D63 IonicContact CZ-OD2 2.8Å; R61-D63 IonicContact NE-OD1 2.75Å; R61-D63 PolarHBondContact NE-OD1 2.95Å; R61-D63 IonicContact NE-OD2 2.78Å; R61-D63 PolarHBondContact NE-OD2 3.17Å; R61-D63 IonicContact NH2-OD1 2.8Å; R61-D63 PolarHBondContact NH2-OD1 3.11Å; R61-D63 IonicContact NH2-OD2 3.94Å; R61-D63 PolarHBondContact NH2-OD2 2.98Å; R61-F72 HydrophobicContact CB-CB 4.3Å; R61-F72 PolarHBondContact N-O 2.85Å; R61-F72 PolarHBondContact O-N 2.84Å; R61-S193 PolarHBondContact NH2-O 3.5Å; R61-S193 VanDerWaalsContact NH2-O 3.14Å |
| 62 | L | 92.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.2 | 174.2 | -60.6 | 179.4 | 0 | 0 | 0 | 109.1 | I37 I39 L50 F51 L69 V71 I133 L135 | I37-L62 HydrophobicContact CG2-CD1 4.05Å; I39-L62 HydrophobicContact CD1-CD1 4.35Å; L50-L62 HydrophobicContact CB-CB 4.26Å; L50-L62 WeakPolarHBondContact CB-O 3.38Å; L50-L62 PolarHBondContact N-O 3.35Å; F51-L62 HydrophobicContact CB-CB 4.28Å; F51-L62 HydrophobicContact CB-CD1 4.35Å; F51-L62 PolarHBondContact N-O 3.35Å; F51-L62 VanDerWaalsContact N-O 3.11Å; F51-L62 PolarHBondContact O-N 3.31Å; L62-L69 HydrophobicContact CB-CD1 4.49Å; L62-L69 HydrophobicContact CD2-CD1 4.35Å; L62-V71 HydrophobicContact CD2-CB 4.4Å; L62-V71 HydrophobicContact CD2-CG1 4.25Å; L62-V71 HydrophobicContact CD2-CG2 3.82Å; L62-I133 HydrophobicContact CD1-CG2 4.4Å; L62-L135 HydrophobicContact CD2-CD1 3.79Å |
| 63 | D | 90.4 | Very high | 87 | Confident | 9 Ų | 9 | 24.3 Ų | 24.3 | 5% | 0.048 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 154.3 | 171.7 | -62.1 | -52.1 | 0 | 0 | 0 | 109.9 | S49 R61 V65 K70 | S49-D63 WeakPolarHBondContact CA-OD1 3.41Å; R61-D63 IonicContact CZ-OD1 3.24Å; R61-D63 IonicContact CZ-OD2 2.8Å; R61-D63 IonicContact NE-OD1 2.75Å; R61-D63 PolarHBondContact NE-OD1 2.95Å; R61-D63 IonicContact NE-OD2 2.78Å; R61-D63 PolarHBondContact NE-OD2 3.17Å; R61-D63 IonicContact NH2-OD1 2.8Å; R61-D63 PolarHBondContact NH2-OD1 3.11Å; R61-D63 IonicContact NH2-OD2 3.94Å; R61-D63 PolarHBondContact NH2-OD2 2.98Å; D63-V65 HydrophobicContact CB-CG2 4.35Å; D63-K70 HydrophobicContact CB-CB 4.18Å; D63-K70 PolarHBondContact N-O 3.17Å; D63-K70 PolarHBondContact O-N 3.03Å |
| 64 | M | 90.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 131.4 | 156.1 | -72.1 | 178.6 | -63.9 | 0 | 0 | 109.1 | F41 T43 N47 S48 L50 L68 L125 F197 | F41-M64 HydrophobicContact CD2-CE 4.45Å; F41-M64 HydrophobicContact CE2-CE 3.88Å; F41-M64 HydrophobicContact CE2-SD 3.5Å; F41-M64 VanDerWaalsContact CE2-SD 3.5Å; F41-M64 HydrophobicContact CZ-SD 3.79Å; T43-M64 HydrophobicContact CG2-CE 3.67Å; T43-M64 HydrophobicContact CG2-SD 4.11Å; N47-M64 WeakPolarHBondContact CA-O 3.38Å; S48-M64 PolarHBondContact N-O 2.86Å; S48-M64 VanDerWaalsContact N-O 3.1Å; S48-M64 PolarHBondContact O-N 2.93Å; S48-M64 VanDerWaalsContact OG-CE 3.23Å; S48-M64 WeakPolarHBondContact OG-CE 3.23Å; L50-M64 HydrophobicContact CD1-CE 4.09Å; L50-M64 HydrophobicContact CD1-CG 3.75Å; L50-M64 HydrophobicContact CD1-SD 4.07Å; L50-M64 HydrophobicContact CD2-CE 3.72Å; L50-M64 HydrophobicContact CG-CE 3.85Å; L50-M64 HydrophobicContact CG-CG 4.26Å; L50-M64 HydrophobicContact CG-SD 4.48Å; M64-L68 WeakPolarHBondContact CA-O 3.49Å; M64-L125 HydrophobicContact CG-CB 4.4Å; M64-L125 HydrophobicContact CG-CD1 4.08Å; M64-L125 HydrophobicContact SD-CB 3.6Å; M64-L125 HydrophobicContact SD-CD1 4.15Å; M64-F197 HydrophobicContact CE-CD2 4.06Å; M64-F197 HydrophobicContact CE-CE2 4Å |
| 65 | V | 87.5 | Confident | 86.3 | Confident | 9 Ų | 9 | 25.3 Ų | 25.3 | 6% | 0.055 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 122.5 | 175.9 | 171.7 | 0 | 0 | 0 | 0 | 109.5 | S46 N47 D63 G67 L68 K70 L114 I192 | S46-V65 CarbonylContact O-C 3.57Å; N47-V65 VanDerWaalsContact OD1-CA 3.31Å; N47-V65 WeakPolarHBondContact OD1-CA 3.44Å; D63-V65 HydrophobicContact CB-CG2 4.35Å; V65-G67 PolarHBondContact O-N 2.9Å; V65-G67 VanDerWaalsContact O-N 3.12Å; V65-L68 PolarHBondContact N-O 3.11Å; V65-L68 PolarHBondContact O-N 2.96Å; V65-K70 HydrophobicContact CB-CB 4.45Å; V65-K70 HydrophobicContact CG2-CB 4.19Å; V65-K70 HydrophobicContact CG2-CD 3.94Å; V65-L114 HydrophobicContact CB-CD1 3.96Å; V65-L114 HydrophobicContact CG1-CD1 4.4Å; V65-I192 HydrophobicContact CG1-CB 4.26Å; V65-I192 HydrophobicContact CG1-CD1 4.1Å; V65-I192 HydrophobicContact CG1-CG2 3.85Å; V65-I192 HydrophobicContact CG2-CB 4.32Å; V65-I192 HydrophobicContact CG2-CG2 4.45Å |
| 66 | N | 85.8 | Confident | 85.7 | Confident | 98 Ų | 98 | 27.7 Ų | 27.7 | 52% | 0.524 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 35.9 | -172.3 | -68.2 | -14.8 | 0 | 0 | 0 | 114.5 | S46 N47 L68 R124 | S46-N66 CarbonylContact O-C 3.42Å; S46-N66 WeakPolarHBondContact O-CA 3.35Å; S46-N66 PolarHBondContact O-N 2.86Å; N47-N66 PolarHBondContact ND2-OD1 3.18Å; N47-N66 VanDerWaalsContact ND2-OD1 3.08Å; N47-N66 PolarHBondContact OD1-N 2.93Å; N66-L68 VanDerWaalsContact C-N 3.34Å; N66-R124 PolarHBondContact O-NH1 2.66Å; N66-R124 PolarHBondContact O-NH2 2.97Å |
| 67 | G | 86.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 8.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S46 V65 R124 L125 | S46-G67 PolarHBondContact O-N 3.4Å; V65-G67 PolarHBondContact O-N 2.9Å; V65-G67 VanDerWaalsContact O-N 3.12Å; G67-R124 WeakPolarHBondContact O-CA 3.43Å; G67-L125 PolarHBondContact O-N 3.07Å |
| 68 | L | 88.8 | Confident | 83.8 | Confident | 23 Ų | 23 | 24.1 Ų | 24.1 | 12% | 0.12 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 153 | 173.3 | -65.9 | 175.6 | 0 | 0 | 0 | 110.6 | M64 V65 N66 K70 L114 Q116 | M64-L68 WeakPolarHBondContact CA-O 3.49Å; V65-L68 PolarHBondContact N-O 3.11Å; V65-L68 PolarHBondContact O-N 2.96Å; N66-L68 VanDerWaalsContact C-N 3.34Å; L68-K70 PolarHBondContact O-N 3.22Å; L68-L114 HydrophobicContact CB-CD1 3.88Å; L68-L114 HydrophobicContact CB-CD2 4.49Å; L68-L114 HydrophobicContact CB-CG 4.08Å; L68-L114 HydrophobicContact CD1-CD2 4.06Å; L68-L114 HydrophobicContact CD1-CG 4.27Å; L68-Q116 HydrophobicContact CD1-CB 4.29Å; L68-Q116 HydrophobicContact CD1-CG 4.48Å; L68-Q116 HydrophobicContact CD2-CG 4.43Å |
| 69 | L | 91.6 | Very high | 81.9 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 126 | 176.4 | -177 | 56.4 | 0 | 0 | 0 | 110.5 | L62 V71 I115 L125 I133 V144 I146 | L62-L69 HydrophobicContact CB-CD1 4.49Å; L62-L69 HydrophobicContact CD2-CD1 4.35Å; L69-V71 HydrophobicContact CD2-CG2 4.3Å; L69-V71 HydrophobicContact CG-CG2 4.12Å; L69-I115 HydrophobicContact CD2-CD1 4.5Å; L69-I115 PolarHBondContact O-N 2.99Å; L69-L125 HydrophobicContact CB-CD1 3.89Å; L69-I133 HydrophobicContact CD1-CD1 3.78Å; L69-I133 HydrophobicContact CD2-CD1 3.97Å; L69-I133 HydrophobicContact CD2-CG1 4.26Å; L69-I133 HydrophobicContact CD2-CG2 3.94Å; L69-I133 HydrophobicContact CG-CD1 4.42Å; L69-V144 HydrophobicContact CD2-CG1 3.73Å; L69-I146 HydrophobicContact CB-CD1 4.11Å; L69-I146 HydrophobicContact CD2-CD1 4.01Å; L69-I146 HydrophobicContact CD2-CG1 4.26Å |
| 70 | K | 89.7 | Confident | 79.8 | Confident | 31 Ų | 31 | 32.3 Ų | 32.3 | 14% | 0.135 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 127.2 | 170.2 | -170.8 | -169.3 | -178.5 | -165 | 0 | 109.4 | D63 V65 L68 D112 I113 L114 | D63-K70 HydrophobicContact CB-CB 4.18Å; D63-K70 PolarHBondContact N-O 3.17Å; D63-K70 PolarHBondContact O-N 3.03Å; V65-K70 HydrophobicContact CB-CB 4.45Å; V65-K70 HydrophobicContact CG2-CB 4.19Å; V65-K70 HydrophobicContact CG2-CD 3.94Å; L68-K70 PolarHBondContact O-N 3.22Å; K70-D112 WeakPolarHBondContact CE-OD1 3.35Å; K70-D112 WeakPolarHBondContact CE-OD2 3.39Å; K70-D112 IonicContact NZ-OD1 2.75Å; K70-D112 PolarHBondContact NZ-OD1 3.03Å; K70-D112 IonicContact NZ-OD2 3.79Å; K70-D112 PolarHBondContact NZ-OD2 2.54Å; K70-I113 WeakPolarHBondContact CA-O 3.31Å; K70-L114 HydrophobicContact CB-CD1 3.88Å; K70-L114 HydrophobicContact CG-CD1 4.41Å |
| 71 | V | 90.3 | Very high | 77.4 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.5 | 177 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | L62 L69 I113 I115 L135 V144 | L62-V71 HydrophobicContact CD2-CB 4.4Å; L62-V71 HydrophobicContact CD2-CG1 4.25Å; L62-V71 HydrophobicContact CD2-CG2 3.82Å; L69-V71 HydrophobicContact CD2-CG2 4.3Å; L69-V71 HydrophobicContact CG-CG2 4.12Å; V71-I113 PolarHBondContact N-O 2.76Å; V71-I113 PolarHBondContact O-N 3.11Å; V71-I115 HydrophobicContact CB-CD1 4.48Å; V71-I115 HydrophobicContact CG2-CD1 3.57Å; V71-I115 HydrophobicContact CG2-CG1 4.43Å; V71-L135 HydrophobicContact CG1-CD1 3.82Å; V71-V144 HydrophobicContact CG2-CG2 4.35Å |
| 72 | F | 87 | Confident | 75 | Confident | 35 Ų | 35 | 37.7 Ų | 37.7 | 15% | 0.154 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.9 | 174.5 | -176.3 | -86.1 | 0 | 0 | 0 | 109.8 | L59 L60 R61 H74 Q110 L111 D112 M189 | L59-F72 HydrophobicContact CB-CE1 4.35Å; L59-F72 HydrophobicContact CD2-CD1 4.17Å; L59-F72 HydrophobicContact CD2-CE1 4.04Å; L60-F72 WeakPolarHBondContact CA-O 3.33Å; R61-F72 HydrophobicContact CB-CB 4.3Å; R61-F72 PolarHBondContact N-O 2.85Å; R61-F72 PolarHBondContact O-N 2.84Å; F72-H74 HydrophobicContact CE1-CB 3.82Å; F72-H74 HydrophobicContact CZ-CB 4.35Å; F72-Q110 HydrophobicContact CE2-CG 4.08Å; F72-Q110 HydrophobicContact CZ-CG 4.12Å; F72-L111 CarbonylContact C-O 3.51Å; F72-L111 VanDerWaalsContact CA-O 3.3Å; F72-L111 WeakPolarHBondContact CA-O 3.15Å; F72-D112 HydrophobicContact CD2-CB 4.03Å; F72-D112 HydrophobicContact CE2-CB 4.46Å; F72-M189 HydrophobicContact CE2-SD 4.39Å |
| 73 | L | 87.4 | Confident | 72.5 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 124.2 | 178.2 | 177 | 60.6 | 0 | 0 | 0 | 110.4 | L59 L60 L75 Q110 L111 L142 L156 | L59-L73 CarbonylContact O-C 3.46Å; L59-L73 VanDerWaalsContact O-CA 3.31Å; L59-L73 WeakPolarHBondContact O-CA 3.48Å; L60-L73 HydrophobicContact CB-CD1 4.14Å; L60-L73 HydrophobicContact CD1-CB 4.49Å; L60-L73 HydrophobicContact CD1-CD1 4.2Å; L73-L75 HydrophobicContact CD1-CD1 3.9Å; L73-L75 HydrophobicContact CD1-CD2 4.08Å; L73-L75 HydrophobicContact CD1-CG 3.77Å; L73-L75 HydrophobicContact CD2-CD1 3.94Å; L73-L75 HydrophobicContact CG-CD1 3.93Å; L73-L75 HydrophobicContact CG-CG 4.06Å; L73-Q110 WeakPolarHBondContact O-CA 3.4Å; L73-L111 HydrophobicContact CB-CB 4.09Å; L73-L111 HydrophobicContact CB-CD2 4.47Å; L73-L111 PolarHBondContact N-O 2.99Å; L73-L111 PolarHBondContact O-N 3.48Å; L73-L142 HydrophobicContact CD2-CD2 4.29Å; L73-L156 HydrophobicContact CD2-CD1 3.77Å; L73-L156 HydrophobicContact CD2-CD2 4.47Å |
| 74 | H | 83.1 | Confident | 70 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 122 | -179.9 | -164.9 | 70.3 | 0 | 0 | 0 | 110.3 | T57 Q58 L59 F72 F109 | T57-H74 PolarHBondContact O-CD2 3.4Å; Q58-H74 CarbonylContact C-O 3.55Å; Q58-H74 WeakPolarHBondContact CA-O 3.45Å; L59-H74 HydrophobicContact CB-CB 4.29Å; L59-H74 PolarHBondContact N-O 3.33Å; L59-H74 PolarHBondContact O-N 2.74Å; F72-H74 HydrophobicContact CE1-CB 3.82Å; F72-H74 HydrophobicContact CZ-CB 4.35Å; H74-F109 WeakPolarHBondContact CA-O 3.24Å; H74-F109 PolarHBondContact ND1-O 2.78Å; H74-F109 VanDerWaalsContact ND1-O 3.11Å |
| 75 | L | 80.6 | Confident | 67.4 | Low | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 151 | -171.6 | -65.7 | 171.3 | 0 | 0 | 0 | 110.8 | L73 F109 L167 | L73-L75 HydrophobicContact CD1-CD1 3.9Å; L73-L75 HydrophobicContact CD1-CD2 4.08Å; L73-L75 HydrophobicContact CD1-CG 3.77Å; L73-L75 HydrophobicContact CD2-CD1 3.94Å; L73-L75 HydrophobicContact CG-CD1 3.93Å; L73-L75 HydrophobicContact CG-CG 4.06Å; L75-F109 HydrophobicContact CB-CB 4.29Å; L75-F109 PolarHBondContact N-O 2.81Å; L75-F109 VanDerWaalsContact N-O 3.08Å; L75-F109 WeakPolarHBondContact O-CB 3.4Å; L75-F109 PolarHBondContact O-N 2.7Å; L75-L167 HydrophobicContact CD2-CB 4.19Å; L75-L167 HydrophobicContact CD2-CD1 3.89Å |
| 76 | P | 70.1 | Confident | 65.1 | Low | 56 Ų | 56 | 55.9 Ų | 55.9 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 144.5 | 174 | 31.9 | -34.7 | 0 | 0 | 0 | 112.2 | ||
| 77 | I | 61.7 | Low | 62.9 | Low | 27 Ų | 27 | 54 Ų | 54 | 14% | 0.138 | 29% | 0.292 | C | S | . | . | trans | -122.2 | 166.1 | 166.3 | -29.2 | 176.5 | 0 | 0 | 0 | 108 | D81 S107 F109 | I77-D81 HydrophobicContact CG2-CB 4.14Å; I77-S107 CarbonylContact C-O 3.53Å; I77-S107 WeakPolarHBondContact CA-O 3.19Å; I77-S107 PolarHBondContact N-O 2.76Å; I77-S107 PolarHBondContact O-OG 2.91Å; I77-F109 HydrophobicContact CD1-CB 3.75Å; I77-F109 HydrophobicContact CD1-CD2 4.38Å; I77-F109 HydrophobicContact CG1-CB 3.76Å | ||
| 78 | T | 46.1 | Very low | 60.8 | Low | 84 Ų | 84 | 61.6 Ų | 61.6 | 52% | 0.515 | 33% | 0.328 | S | S | . | . | trans | -101.8 | 155.7 | 160.5 | 49.8 | 0 | 0 | 0 | 0 | 110.1 | T80 S107 R163 | T78-T80 PolarHBondContact O-N 2.99Å; T78-S107 WeakPolarHBondContact CA-OG 3.39Å; T78-R163 PolarHBondContact OG1-NH1 2.74Å | ||
| 79 | E | 42.4 | Very low | 58.5 | Low | 139 Ų | 139 | 61.1 Ų | 61.1 | 65% | 0.65 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -2.7 | -157.8 | -62.2 | -169.3 | 116.1 | 0 | 0 | 117 | D81 S107 | E79-D81 PolarHBondContact O-N 2.97Å; E79-S107 PolarHBondContact N-OG 3.06Å |
| 80 | T | 42.4 | Very low | 56.7 | Low | 98 Ų | 98 | 67 Ų | 67 | 60% | 0.601 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -20.1 | -174.2 | 54.4 | 0 | 0 | 0 | 0 | 114.9 | T78 I82 R163 | T78-T80 PolarHBondContact O-N 2.99Å; T80-I82 PolarHBondContact O-N 2.91Å; T80-R163 PolarHBondContact OG1-NH1 3.17Å; T80-R163 PolarHBondContact OG1-NH2 3.3Å |
| 81 | D | 40.2 | Very low | 54.7 | Low | 35 Ų | 35 | 68 Ų | 68 | 19% | 0.187 | 37% | 0.367 | C | S | . | . | trans | -98.6 | 79.1 | -158.2 | -58.9 | -10.8 | 0 | 0 | 0 | 111.5 | I77 E79 R101 R163 | I77-D81 HydrophobicContact CG2-CB 4.14Å; E79-D81 PolarHBondContact O-N 2.97Å; D81-R101 PolarHBondContact O-NH2 3.27Å; D81-R163 IonicContact OD1-NH1 2.85Å; D81-R163 PolarHBondContact OD1-NH1 3.24Å; D81-R163 IonicContact OD2-CZ 3.78Å; D81-R163 IonicContact OD2-NH1 2.62Å; D81-R163 PolarHBondContact OD2-NH1 3.36Å | ||
| 82 | I | 38.8 | Very low | 52.5 | Low | 119 Ų | 119 | 68.1 Ų | 68.1 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | trans | -126.7 | 72.7 | 175.5 | -43.7 | -169 | 0 | 0 | 0 | 111.2 | T80 | T80-I82 PolarHBondContact O-N 2.91Š| ||
| 83 | Q | 40.8 | Very low | 50.8 | Low | 103 Ų | 103 | 70.5 Ų | 70.5 | 48% | 0.481 | 38% | 0.382 | S | S | . | . | trans | -122.2 | 147 | 147 | -80.7 | -170.3 | -109.3 | 0 | 0 | 107.9 | N1192 | Q83-N1192 WeakPolarHBondContact CB-OD1 3.08Å; Q83-N1192 VanDerWaalsContact NE2-CB 3.3Å; Q83-N1192 VanDerWaalsContact NE2-CG 3.29Å; Q83-N1192 PolarHBondContact NE2-ND2 3.4Å | ||
| 84 | L | 37.9 | Very low | 49.1 | Very low | 120 Ų | 120 | 72.7 Ų | 72.7 | 63% | 0.628 | 40% | 0.395 | S | S | * | . | trans | -118.6 | 51.1 | -159.3 | -148.3 | 170.7 | 0 | 0 | 0 | 109.5 | L86 N1192 | L84-L86 PolarHBondContact O-N 2.77Å; L84-N1192 VanDerWaalsContact C-OD1 3.26Å; L84-N1192 WeakPolarHBondContact CA-OD1 3.41Å; L84-N1192 PolarHBondContact N-OD1 2.79Å | ||
| 85 | D | 37.3 | Very low | 47.5 | Very low | 68 Ų | 68 | 76.9 Ų | 76.9 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | trans | -62.2 | 110.6 | 179.3 | -73.4 | -77.8 | 0 | 0 | 0 | 109.9 | A87 T1191 N1192 | D85-A87 PolarHBondContact O-N 3.18Å; D85-T1191 VanDerWaalsContact OD1-CB 3.24Å; D85-T1191 WeakPolarHBondContact OD1-CB 3.3Å; D85-T1191 PolarHBondContact OD1-OG1 2.97Å; D85-N1192 PolarHBondContact N-OD1 3.08Å; D85-N1192 PolarHBondContact OD1-ND2 2.77Å; D85-N1192 PolarHBondContact OD2-ND2 2.92Å | ||
| 86 | L | 38.9 | Very low | 45.8 | Very low | 109 Ų | 109 | 81.9 Ų | 81.9 | 57% | 0.571 | 44% | 0.441 | S | S | * | . | trans | -73.8 | 65.2 | 169.1 | -77 | 164.9 | 0 | 0 | 0 | 109.5 | L84 E88 | L84-L86 PolarHBondContact O-N 2.77Å; L86-E88 VanDerWaalsContact C-N 3.31Å; L86-E88 PolarHBondContact O-N 2.83Å | ||
| 87 | A | 38.6 | Very low | 44.5 | Very low | 59 Ų | 59 | 83.1 Ų | 83.1 | 49% | 0.488 | 44% | 0.442 | S | S | . | . | trans | -68.2 | 91 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | D85 G89 | D85-A87 PolarHBondContact O-N 3.18Å; A87-G89 PolarHBondContact O-N 2.99Å | ||
| 88 | E | 42.7 | Very low | 43.7 | Very low | 159 Ų | 159 | 82.8 Ų | 82.8 | 74% | 0.743 | 45% | 0.446 | S | S | * | . | trans | -56 | 131.3 | 170.7 | -67.2 | -167.1 | 161.6 | 0 | 0 | 110 | L86 N90 | L86-E88 VanDerWaalsContact C-N 3.31Å; L86-E88 PolarHBondContact O-N 2.83Å; E88-N90 PolarHBondContact O-N 3.24Å | ||
| 89 | G | 42 | Very low | 43.6 | Very low | 13 Ų | 13 | 83.2 Ų | 83.2 | 13% | 0.134 | 44% | 0.444 | C | S | . | . | trans | -65.4 | 109.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | A87 N91 A92 K118 | A87-G89 PolarHBondContact O-N 2.99Å; G89-N91 PolarHBondContact O-N 2.82Å; G89-A92 PolarHBondContact O-N 3.24Å; G89-K118 PolarHBondContact O-NZ 3.17Å | ||
| 90 | N | 52.5 | Low | 43.6 | Very low | 127 Ų | 127 | 82.5 Ų | 82.5 | 68% | 0.679 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | -34.2 | -174.3 | -77.3 | -31.2 | 0 | 0 | 0 | 113.1 | E88 K118 | E88-N90 PolarHBondContact O-N 3.24Å; N90-K118 VanDerWaalsContact O-CD 3.32Å; N90-K118 WeakPolarHBondContact O-CD 3.33Å; N90-K118 WeakPolarHBondContact O-CE 3.37Å; N90-K118 PolarHBondContact O-NZ 2.79Å |
| 91 | N | 48.7 | Very low | 43.4 | Very low | 51 Ų | 51 | 83.8 Ų | 83.8 | 27% | 0.273 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -2.6 | -169.3 | -63.9 | 9.4 | 0 | 0 | 0 | 116.2 | G89 K118 L150 V151 | G89-N91 PolarHBondContact O-N 2.82Å; N91-K118 VanDerWaalsContact O-CB 3.26Å; N91-K118 WeakPolarHBondContact O-CB 3.19Å; N91-K118 WeakPolarHBondContact O-CG 3.32Å; N91-K118 PolarHBondContact O-N 3.28Å; N91-L150 PolarHBondContact ND2-O 2.94Å; N91-V151 CarbonylContact C-O 3.51Å; N91-V151 VanDerWaalsContact C-O 3.27Å; N91-V151 VanDerWaalsContact CB-O 3.31Å; N91-V151 WeakPolarHBondContact CB-O 3.33Å |
| 92 | A | 44.1 | Very low | 43 | Very low | 6 Ų | 6 | 91 Ų | 91 | 5% | 0.05 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 148.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | G89 I115 Q116 K118 V151 F152 | G89-A92 PolarHBondContact O-N 3.24Å; A92-I115 HydrophobicContact CB-CG2 4.33Å; A92-Q116 CarbonylContact C-O 3.58Å; A92-Q116 VanDerWaalsContact CA-O 3.27Å; A92-Q116 WeakPolarHBondContact CA-O 3.45Å; A92-K118 VanDerWaalsContact C-CE 3.41Å; A92-K118 WeakPolarHBondContact O-CE 3.44Å; A92-V151 WeakPolarHBondContact CB-O 3.25Å; A92-F152 HydrophobicContact CB-CB 4.46Å; A92-F152 HydrophobicContact CB-CD2 3.98Å |
| 93 | I | 50.5 | Low | 42.6 | Very low | 85 Ų | 85 | 92 Ų | 92 | 44% | 0.436 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 115.5 | 166.2 | -55 | 178.4 | 0 | 0 | 0 | 107.6 | Q116 K118 | I93-Q116 PolarHBondContact N-O 3.06Å; I93-Q116 PolarHBondContact O-N 2.99Å; I93-K118 HydrophobicContact CG1-CG 3.91Å |
| 94 | T | 51.5 | Low | 42.5 | Very low | 46 Ų | 46 | 96.8 Ų | 96.8 | 28% | 0.282 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 101.9 | -178.4 | 58 | 0 | 0 | 0 | 0 | 110.5 | N96 H97 I113 F152 | T94-N96 PolarHBondContact O-N 3.05Å; T94-H97 PolarHBondContact OG1-CE1 3.1Å; T94-I113 HydrophobicContact CG2-CD1 4.41Å; T94-I113 HydrophobicContact CG2-CG2 3.69Å; T94-F152 HydrophobicContact CG2-CE2 4.19Å |
| 95 | Q | 50.4 | Low | 42.6 | Very low | 109 Ų | 109 | 99 Ų | 99 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -72.3 | -11.5 | -172.6 | -64 | -173.7 | -0.2 | 0 | 0 | 114.8 | Q116 | Q95-Q116 VanDerWaalsContact NE2-OE1 3.12Š|
| 96 | N | 45.3 | Very low | 42.8 | Very low | 106 Ų | 106 | 98.9 Ų | 98.9 | 57% | 0.567 | 50% | 0.502 | S | S | * | . | trans | -140.5 | 146.7 | 174.6 | -82.9 | -70.9 | 0 | 0 | 0 | 111 | T94 | T94-N96 PolarHBondContact O-N 3.05Š| ||
| 97 | H | 42.7 | Very low | 43.3 | Very low | 82 Ų | 82 | 94.9 Ų | 94.9 | 38% | 0.38 | 48% | 0.483 | S | S | . | . | trans | -138.8 | 75.6 | 172.3 | -100.2 | 35.6 | 0 | 0 | 0 | 110.5 | T94 I99 R154 | T94-H97 PolarHBondContact OG1-CE1 3.1Å; H97-I99 PolarHBondContact O-N 3.39Å; H97-R154 PolarHBondContact CE1-NH1 2.77Å; H97-R154 VanDerWaalsContact CE1-NH1 3.33Å; H97-R154 PolarHBondContact NE2-NH1 3.19Å | ||
| 98 | G | 44 | Very low | 44.2 | Very low | 21 Ų | 21 | 94.2 Ų | 94.2 | 22% | 0.216 | 47% | 0.471 | C | S | . | . | trans | -85.6 | 60.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y100 | G98-Y100 VanDerWaalsContact C-N 3.31Å; G98-Y100 WeakPolarHBondContact O-CD2 3.18Å; G98-Y100 PolarHBondContact O-N 3.02Å | ||
| 99 | I | 44.4 | Very low | 45.4 | Very low | 93 Ų | 93 | 88.4 Ų | 88.4 | 48% | 0.477 | 44% | 0.443 | S | S | . | . | trans | -77.7 | 80.6 | 175.9 | -51.7 | -178.4 | 0 | 0 | 0 | 110 | H97 R101 | H97-I99 PolarHBondContact O-N 3.39Å; I99-R101 PolarHBondContact O-N 3.02Å; I99-R101 VanDerWaalsContact O-N 3.14Å | ||
| 100 | Y | 41.3 | Very low | 46.8 | Very low | 123 Ų | 123 | 88.2 Ų | 88.2 | 48% | 0.482 | 44% | 0.439 | S | S | . | . | trans | -76.9 | 94 | 179.4 | -79.5 | -78.4 | 0 | 0 | 0 | 112.6 | G98 S188 M189 | G98-Y100 VanDerWaalsContact C-N 3.31Å; G98-Y100 WeakPolarHBondContact O-CD2 3.18Å; G98-Y100 PolarHBondContact O-N 3.02Å; Y100-S188 WeakPolarHBondContact CE1-OG 3Å; Y100-M189 HydrophobicContact CD2-CE 4.19Å; Y100-M189 HydrophobicContact CE2-CE 4.25Å | ||
| 101 | R | 38.8 | Very low | 48 | Very low | 125 Ų | 125 | 82.5 Ų | 82.5 | 47% | 0.472 | 41% | 0.408 | S | S | . | . | trans | -92.6 | 99.4 | 164.3 | -89.6 | -175.7 | 165.2 | 158.9 | -6.1 | 111.2 | D81 I99 | D81-R101 PolarHBondContact O-NH2 3.27Å; I99-R101 PolarHBondContact O-N 3.02Å; I99-R101 VanDerWaalsContact O-N 3.14Å | ||
| 102 | K | 31.8 | Very low | 49.5 | Very low | 186 Ų | 186 | 80.8 Ų | 80.8 | 81% | 0.809 | 40% | 0.399 | S | S | * | . | trans | -154.6 | 73.1 | 174.8 | -146.9 | 174.6 | -170.4 | -179.8 | 0 | 115.2 | ||||
| 103 | N | 31.2 | Very low | 51.4 | Low | 142 Ų | 142 | 80.6 Ų | 80.6 | 76% | 0.759 | 40% | 0.397 | S | S | * | . | trans | -174.2 | 157.2 | 130.7 | -92.8 | -20.5 | 0 | 0 | 0 | 112.4 | L105 | N103-L105 VanDerWaalsContact C-N 3.25Å; N103-L105 PolarHBondContact O-N 2.77Å; N103-L105 VanDerWaalsContact O-N 3.12Å | ||
| 104 | K | 38.5 | Very low | 53 | Low | 202 Ų | 202 | 77.5 Ų | 77.5 | 88% | 0.878 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 18 | -167.5 | -102.3 | -171.3 | 176 | -173.2 | 0 | 116.2 | ||
| 105 | L | 38.8 | Very low | 54.5 | Low | 167 Ų | 167 | 75.5 Ų | 75.5 | 87% | 0.874 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.2 | 0.2 | -168.4 | -87 | 164.1 | 0 | 0 | 0 | 115.3 | N103 | N103-L105 VanDerWaalsContact C-N 3.25Å; N103-L105 PolarHBondContact O-N 2.77Å; N103-L105 VanDerWaalsContact O-N 3.12Å |
| 106 | S | 41.4 | Very low | 55.9 | Low | 65 Ų | 65 | 71 Ų | 71 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | trans | -156.3 | 115.6 | 170.7 | 50.1 | 0 | 0 | 0 | 0 | 112 | L108 | S106-L108 PolarHBondContact O-N 3.39Š| ||
| 107 | S | 51.1 | Low | 57.1 | Low | 25 Ų | 25 | 66.5 Ų | 66.5 | 18% | 0.175 | 33% | 0.325 | C | S | . | . | trans | -79.7 | 101.1 | 172.6 | 42.1 | 0 | 0 | 0 | 0 | 110.7 | I77 T78 E79 | I77-S107 CarbonylContact C-O 3.53Å; I77-S107 WeakPolarHBondContact CA-O 3.19Å; I77-S107 PolarHBondContact N-O 2.76Å; I77-S107 PolarHBondContact O-OG 2.91Å; T78-S107 WeakPolarHBondContact CA-OG 3.39Å; E79-S107 PolarHBondContact N-OG 3.06Å | ||
| 108 | L | 57.5 | Low | 58 | Low | 45 Ų | 45 | 66.5 Ų | 66.5 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 144.8 | 179.3 | -66.4 | 158.9 | 0 | 0 | 0 | 110.9 | S106 | S106-L108 PolarHBondContact O-N 3.39Å |
| 109 | F | 66.8 | Low | 58.6 | Low | 37 Ų | 37 | 69.5 Ų | 69.5 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 134.6 | 166.7 | -176.2 | -104.2 | 0 | 0 | 0 | 108.3 | H74 L75 I77 L111 L156 | H74-F109 WeakPolarHBondContact CA-O 3.24Å; H74-F109 PolarHBondContact ND1-O 2.78Å; H74-F109 VanDerWaalsContact ND1-O 3.11Å; L75-F109 HydrophobicContact CB-CB 4.29Å; L75-F109 PolarHBondContact N-O 2.81Å; L75-F109 VanDerWaalsContact N-O 3.08Å; L75-F109 WeakPolarHBondContact O-CB 3.4Å; L75-F109 PolarHBondContact O-N 2.7Å; I77-F109 HydrophobicContact CD1-CB 3.75Å; I77-F109 HydrophobicContact CD1-CD2 4.38Å; I77-F109 HydrophobicContact CG1-CB 3.76Å; F109-L111 HydrophobicContact CE1-CB 3.87Å; F109-L111 HydrophobicContact CZ-CB 4.3Å; F109-L111 HydrophobicContact CZ-CD1 4.18Å; F109-L156 HydrophobicContact CE1-CD2 3.93Å; F109-L156 HydrophobicContact CZ-CD2 3.83Å |
| 110 | Q | 72.5 | Confident | 59.6 | Low | 10 Ų | 10 | 67.2 Ų | 67.2 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 122.4 | 174.3 | -172.5 | 168.8 | -22.7 | 0 | 0 | 109.6 | F72 L73 M189 | F72-Q110 HydrophobicContact CE2-CG 4.08Å; F72-Q110 HydrophobicContact CZ-CG 4.12Å; L73-Q110 WeakPolarHBondContact O-CA 3.4Å; Q110-M189 PolarHBondContact NE2-SD 3.45Å; Q110-M189 VanDerWaalsContact NE2-SD 3.44Å |
| 111 | L | 77.1 | Confident | 60.8 | Low | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 122.5 | 172.9 | -161.9 | 72 | 0 | 0 | 0 | 107.1 | F72 L73 F109 I113 L142 L156 | F72-L111 CarbonylContact C-O 3.51Å; F72-L111 VanDerWaalsContact CA-O 3.3Å; F72-L111 WeakPolarHBondContact CA-O 3.15Å; L73-L111 HydrophobicContact CB-CB 4.09Å; L73-L111 HydrophobicContact CB-CD2 4.47Å; L73-L111 PolarHBondContact N-O 2.99Å; L73-L111 PolarHBondContact O-N 3.48Å; F109-L111 HydrophobicContact CE1-CB 3.87Å; F109-L111 HydrophobicContact CZ-CB 4.3Å; F109-L111 HydrophobicContact CZ-CD1 4.18Å; L111-I113 HydrophobicContact CD1-CD1 3.57Å; L111-I113 HydrophobicContact CD1-CG1 4.14Å; L111-I113 HydrophobicContact CD2-CD1 4.26Å; L111-I113 HydrophobicContact CG-CD1 3.85Å; L111-I113 HydrophobicContact CG-CG1 4.1Å; L111-L142 HydrophobicContact CD2-CD2 3.62Å; L111-L156 HydrophobicContact CD2-CD2 4.47Å |
| 112 | D | 80.5 | Confident | 62.2 | Low | 16 Ų | 16 | 59 Ų | 59 | 9% | 0.086 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 111.5 | 166 | -176.4 | -38 | 0 | 0 | 0 | 106 | K70 F72 M189 | K70-D112 WeakPolarHBondContact CE-OD1 3.35Å; K70-D112 WeakPolarHBondContact CE-OD2 3.39Å; K70-D112 IonicContact NZ-OD1 2.75Å; K70-D112 PolarHBondContact NZ-OD1 3.03Å; K70-D112 IonicContact NZ-OD2 3.79Å; K70-D112 PolarHBondContact NZ-OD2 2.54Å; F72-D112 HydrophobicContact CD2-CB 4.03Å; F72-D112 HydrophobicContact CE2-CB 4.46Å; D112-M189 HydrophobicContact CB-CE 3.54Å; D112-M189 HydrophobicContact CB-SD 4.5Å; D112-M189 WeakPolarHBondContact OD2-CE 3.41Å |
| 113 | I | 83 | Confident | 64.4 | Low | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 127.1 | -176 | -68.4 | -179.2 | 0 | 0 | 0 | 109.9 | K70 V71 T94 L111 I115 F152 | K70-I113 WeakPolarHBondContact CA-O 3.31Å; V71-I113 PolarHBondContact N-O 2.76Å; V71-I113 PolarHBondContact O-N 3.11Å; T94-I113 HydrophobicContact CG2-CD1 4.41Å; T94-I113 HydrophobicContact CG2-CG2 3.69Å; L111-I113 HydrophobicContact CD1-CD1 3.57Å; L111-I113 HydrophobicContact CD1-CG1 4.14Å; L111-I113 HydrophobicContact CD2-CD1 4.26Å; L111-I113 HydrophobicContact CG-CD1 3.85Å; L111-I113 HydrophobicContact CG-CG1 4.1Å; I113-I115 HydrophobicContact CG2-CG1 3.88Å; I113-F152 HydrophobicContact CD1-CE2 3.8Å; I113-F152 HydrophobicContact CD1-CZ 3.6Å; I113-F152 HydrophobicContact CG2-CE2 4.2Å |
| 114 | L | 84.6 | Confident | 67 | Low | 19 Ų | 19 | 45.8 Ų | 45.8 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 123.9 | 159.4 | -164.9 | 68.5 | 0 | 0 | 0 | 108.5 | V65 L68 K70 | V65-L114 HydrophobicContact CB-CD1 3.96Å; V65-L114 HydrophobicContact CG1-CD1 4.4Å; L68-L114 HydrophobicContact CB-CD1 3.88Å; L68-L114 HydrophobicContact CB-CD2 4.49Å; L68-L114 HydrophobicContact CB-CG 4.08Å; L68-L114 HydrophobicContact CD1-CD2 4.06Å; L68-L114 HydrophobicContact CD1-CG 4.27Å; K70-L114 HydrophobicContact CB-CD1 3.88Å; K70-L114 HydrophobicContact CG-CD1 4.41Å |
| 115 | I | 83.7 | Confident | 69.4 | Low | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117 | -176.6 | -59.4 | 177 | 0 | 0 | 0 | 109.4 | L69 V71 A92 I113 V144 V151 F152 | L69-I115 HydrophobicContact CD2-CD1 4.5Å; L69-I115 PolarHBondContact O-N 2.99Å; V71-I115 HydrophobicContact CB-CD1 4.48Å; V71-I115 HydrophobicContact CG2-CD1 3.57Å; V71-I115 HydrophobicContact CG2-CG1 4.43Å; A92-I115 HydrophobicContact CB-CG2 4.33Å; I113-I115 HydrophobicContact CG2-CG1 3.88Å; I115-V144 HydrophobicContact CD1-CB 4.14Å; I115-V144 HydrophobicContact CD1-CG1 4.2Å; I115-V144 HydrophobicContact CD1-CG2 4.04Å; I115-V151 HydrophobicContact CG2-CB 4.27Å; I115-V151 HydrophobicContact CG2-CG2 3.91Å; I115-F152 HydrophobicContact CD1-CB 3.88Å; I115-F152 HydrophobicContact CD1-CD1 4.42Å; I115-F152 HydrophobicContact CD1-CG 4.04Å; I115-F152 HydrophobicContact CG1-CB 4.41Å; I115-F152 HydrophobicContact CG1-CD2 4.41Å; I115-F152 HydrophobicContact CG1-CG 4.43Å; I115-F152 HydrophobicContact CG2-CB 4.18Å |
| 116 | Q | 79.6 | Confident | 71.8 | Confident | 15 Ų | 15 | 28.5 Ų | 28.5 | 7% | 0.07 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.3 | 163.6 | -169.1 | -177.2 | 3.8 | 0 | 0 | 109.3 | L68 A92 I93 Q95 P121 Y563 | L68-Q116 HydrophobicContact CD1-CB 4.29Å; L68-Q116 HydrophobicContact CD1-CG 4.48Å; L68-Q116 HydrophobicContact CD2-CG 4.43Å; A92-Q116 CarbonylContact C-O 3.58Å; A92-Q116 VanDerWaalsContact CA-O 3.27Å; A92-Q116 WeakPolarHBondContact CA-O 3.45Å; I93-Q116 PolarHBondContact N-O 3.06Å; I93-Q116 PolarHBondContact O-N 2.99Å; Q95-Q116 VanDerWaalsContact NE2-OE1 3.12Å; Q116-P121 PolarHBondContact NE2-O 3.43Å; Q116-Y563 VanDerWaalsContact NE2-CE2 3.34Å; Q116-Y563 PolarHBondContact NE2-OH 3.13Å |
| 117 | S | 70.1 | Confident | 73.8 | Confident | 11 Ų | 11 | 26.2 Ų | 26.2 | 8% | 0.077 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 133 | -179.3 | 178 | 0 | 0 | 0 | 0 | 111.7 | L119 D120 P121 | S117-L119 PolarHBondContact OG-N 2.93Å; S117-D120 WeakPolarHBondContact CB-O 3.25Å; S117-D120 CarbonylContact O-C 3.58Å; S117-D120 PolarHBondContact OG-N 2.92Å; S117-P121 WeakPolarHBondContact O-CA 3.32Å |
| 118 | K | 62.2 | Low | 75.4 | Confident | 82 Ų | 82 | 25.6 Ų | 25.6 | 36% | 0.357 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -76.2 | -24.4 | 169.1 | -67.5 | -179.1 | -162.4 | 173.3 | 0 | 112.4 | G89 N90 N91 A92 I93 | G89-K118 PolarHBondContact O-NZ 3.17Å; N90-K118 VanDerWaalsContact O-CD 3.32Å; N90-K118 WeakPolarHBondContact O-CD 3.33Å; N90-K118 WeakPolarHBondContact O-CE 3.37Å; N90-K118 PolarHBondContact O-NZ 2.79Å; N91-K118 VanDerWaalsContact O-CB 3.26Å; N91-K118 WeakPolarHBondContact O-CB 3.19Å; N91-K118 WeakPolarHBondContact O-CG 3.32Å; N91-K118 PolarHBondContact O-N 3.28Å; A92-K118 VanDerWaalsContact C-CE 3.41Å; A92-K118 WeakPolarHBondContact O-CE 3.44Å; I93-K118 HydrophobicContact CG1-CG 3.91Å |
| 119 | L | 57 | Low | 76.5 | Confident | 83 Ų | 83 | 23.9 Ų | 23.9 | 44% | 0.435 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -68 | -55 | -179.5 | -65.6 | 170.1 | 0 | 0 | 0 | 109.9 | S117 K516 | S117-L119 PolarHBondContact OG-N 2.93Å; L119-K516 PolarHBondContact O-NZ 3.32Å |
| 120 | D | 65.1 | Low | 77.2 | Confident | 46 Ų | 46 | 22.9 Ų | 22.9 | 25% | 0.246 | 12% | 0.118 | C | C | . | . | trans | -127.9 | 95.8 | 169.9 | -173.9 | -2.3 | 0 | 0 | 0 | 110.1 | S117 T122 L123 | S117-D120 WeakPolarHBondContact CB-O 3.25Å; S117-D120 CarbonylContact O-C 3.58Å; S117-D120 PolarHBondContact OG-N 2.92Å; D120-T122 PolarHBondContact O-N 2.03Å; D120-T122 WeakPolarHBondContact OD1-CA 3.17Å; D120-T122 VanDerWaalsContact OD1-CB 3.31Å; D120-T122 WeakPolarHBondContact OD1-CB 3.48Å; D120-T122 PolarHBondContact OD1-N 2.94Å; D120-T122 PolarHBondContact OD1-OG1 2.93Å; D120-T122 PolarHBondContact OD2-OG1 2.89Å; D120-L123 HydrophobicContact CB-CB 4.4Å; D120-L123 WeakPolarHBondContact O-CB 3.2Å; D120-L123 PolarHBondContact O-N 2.89Å | ||
| 121 | P | 65.9 | Low | 77.9 | Confident | 35 Ų | 35 | 22.7 Ų | 22.7 | 23% | 0.227 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -5.4 | 177.3 | 31.5 | -36.2 | 0 | 0 | 0 | 113.2 | Q116 S117 Y563 | Q116-P121 PolarHBondContact NE2-O 3.43Å; S117-P121 WeakPolarHBondContact O-CA 3.32Å; P121-Y563 VanDerWaalsContact O-CE2 3.23Å; P121-Y563 WeakPolarHBondContact O-CE2 3.4Å; P121-Y563 PolarHBondContact O-OH 3.4Å |
| 122 | T | 68.2 | Low | 78.4 | Confident | 41 Ų | 41 | 22.5 Ų | 22.5 | 25% | 0.252 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -9.3 | 175.3 | 79.2 | 0 | 0 | 0 | 0 | 113.5 | D120 Y563 | D120-T122 PolarHBondContact O-N 2.03Å; D120-T122 WeakPolarHBondContact OD1-CA 3.17Å; D120-T122 VanDerWaalsContact OD1-CB 3.31Å; D120-T122 WeakPolarHBondContact OD1-CB 3.48Å; D120-T122 PolarHBondContact OD1-N 2.94Å; D120-T122 PolarHBondContact OD1-OG1 2.93Å; D120-T122 PolarHBondContact OD2-OG1 2.89Å; T122-Y563 HydrophobicContact CG2-CD1 4.16Å; T122-Y563 HydrophobicContact CG2-CE1 3.79Å |
| 123 | L | 77.1 | Confident | 78.9 | Confident | 33 Ų | 33 | 21.8 Ų | 21.8 | 17% | 0.173 | 11% | 0.113 | C | C | . | . | trans | -60.2 | 132.3 | 178 | -178.5 | 64 | 0 | 0 | 0 | 111.4 | D120 I146 | D120-L123 HydrophobicContact CB-CB 4.4Å; D120-L123 WeakPolarHBondContact O-CB 3.2Å; D120-L123 PolarHBondContact O-N 2.89Å; L123-I146 HydrophobicContact CD2-CB 4.49Å; L123-I146 HydrophobicContact CD2-CG2 4Å | ||
| 124 | R | 85.8 | Confident | 79.4 | Confident | 17 Ų | 17 | 22.5 Ų | 22.5 | 6% | 0.064 | 12% | 0.116 | C | C | . | . | trans | -143.2 | 152 | 178 | -63.5 | 178.5 | 65.1 | 76 | -0.8 | 110.2 | N66 G67 D126 H131 A559 | N66-R124 PolarHBondContact O-NH1 2.66Å; N66-R124 PolarHBondContact O-NH2 2.97Å; G67-R124 WeakPolarHBondContact O-CA 3.43Å; R124-D126 WeakPolarHBondContact CB-OD1 3.24Å; R124-D126 IonicContact CZ-OD1 3.21Å; R124-D126 IonicContact CZ-OD2 3.9Å; R124-D126 IonicContact NE-OD1 2.81Å; R124-D126 PolarHBondContact NE-OD1 2.87Å; R124-D126 IonicContact NE-OD2 2.74Å; R124-D126 IonicContact NH2-OD1 2.69Å; R124-D126 PolarHBondContact NH2-OD1 2.85Å; R124-D126 IonicContact NH2-OD2 3.26Å; R124-D126 PolarHBondContact NH2-OD2 3.08Å; R124-H131 PolarHBondContact O-NE2 3.27Å; R124-H131 VanDerWaalsContact O-NE2 3.14Å; R124-A559 HydrophobicContact CB-CB 4.48Å; R124-A559 VanDerWaalsContact CD-C 3.48Å; R124-A559 WeakPolarHBondContact CD-O 3.38Å; R124-A559 PolarHBondContact NE-O 3.18Å | ||
| 125 | L | 89.2 | Confident | 79.9 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -99.8 | -1.6 | -177.3 | -57.3 | 173.8 | 0 | 0 | 0 | 113.8 | F41 T43 M64 G67 L69 H131 I133 I146 | F41-L125 HydrophobicContact CE2-CB 4.4Å; F41-L125 HydrophobicContact CZ-CB 4.14Å; F41-L125 HydrophobicContact CZ-CD1 4.25Å; F41-L125 HydrophobicContact CZ-CD2 4.2Å; F41-L125 HydrophobicContact CZ-CG 4.43Å; T43-L125 WeakPolarHBondContact CG2-O 3.49Å; M64-L125 HydrophobicContact CG-CB 4.4Å; M64-L125 HydrophobicContact CG-CD1 4.08Å; M64-L125 HydrophobicContact SD-CB 3.6Å; M64-L125 HydrophobicContact SD-CD1 4.15Å; G67-L125 PolarHBondContact O-N 3.07Å; L69-L125 HydrophobicContact CB-CD1 3.89Å; L125-H131 HydrophobicContact CD2-CB 3.86Å; L125-I133 HydrophobicContact CD1-CD1 4.14Å; L125-I146 HydrophobicContact CD2-CG2 4.03Å |
| 126 | D | 89.1 | Confident | 80.4 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | trans | -104.3 | 26.2 | 179.7 | 71.1 | -28.2 | 0 | 0 | 0 | 113 | S46 R124 R562 | S46-D126 WeakPolarHBondContact CB-OD2 3.28Å; R124-D126 WeakPolarHBondContact CB-OD1 3.24Å; R124-D126 IonicContact CZ-OD1 3.21Å; R124-D126 IonicContact CZ-OD2 3.9Å; R124-D126 IonicContact NE-OD1 2.81Å; R124-D126 PolarHBondContact NE-OD1 2.87Å; R124-D126 IonicContact NE-OD2 2.74Å; R124-D126 IonicContact NH2-OD1 2.69Å; R124-D126 PolarHBondContact NH2-OD1 2.85Å; R124-D126 IonicContact NH2-OD2 3.26Å; R124-D126 PolarHBondContact NH2-OD2 3.08Å; D126-R562 IonicContact OD2-CZ 3.6Å; D126-R562 IonicContact OD2-NH1 3.74Å; D126-R562 PolarHBondContact OD2-NH1 3.03Å | ||
| 127 | D | 83.9 | Confident | 80.9 | Confident | 18 Ų | 18 | 23.4 Ų | 23.4 | 10% | 0.096 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -96 | -2.4 | -170.8 | 92.5 | -24.5 | 0 | 0 | 0 | 113.7 | Q129 H131 S555 A556 A559 | D127-Q129 VanDerWaalsContact C-N 3.32Å; D127-Q129 PolarHBondContact O-N 2.99Å; D127-Q129 PolarHBondContact O-NE2 2.87Å; D127-Q129 WeakPolarHBondContact OD1-CB 3Å; D127-Q129 PolarHBondContact OD1-N 3.45Å; D127-Q129 WeakPolarHBondContact OD2-CG 3.41Å; D127-H131 IonicContact OD1-NE2 3.35Å; D127-H131 PolarHBondContact OD1-NE2 3.08Å; D127-S555 CarbonylContact O-C 3.5Å; D127-S555 WeakPolarHBondContact O-CB 3.32Å; D127-A556 HydrophobicContact CB-CB 4.46Å; D127-A556 PolarHBondContact O-N 3.4Å; D127-A559 HydrophobicContact CB-CB 3.82Å |
| 128 | N | 84.8 | Confident | 81.6 | Confident | 12 Ų | 12 | 25 Ų | 25 | 6% | 0.064 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 61.5 | 22 | -175.1 | -156 | 59.1 | 0 | 0 | 0 | 116.9 | Q42 T43 K44 D552 | Q42-N128 PolarHBondContact NE2-O 2.93Å; T43-N128 WeakPolarHBondContact O-CA 3.26Å; T43-N128 PolarHBondContact O-N 2.85Å; K44-N128 HydrophobicContact CD-CB 4.32Å; K44-N128 WeakPolarHBondContact CE-ND2 3.37Å; K44-N128 WeakPolarHBondContact CE-OD1 3.01Å; K44-N128 HydrophobicContact CG-CB 3.72Å; N128-D552 PolarHBondContact ND2-OD2 3.02Å |
| 129 | Q | 80.7 | Confident | 82.5 | Confident | 9 Ų | 9 | 22.6 Ų | 22.6 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -90.6 | 179.5 | 162 | -49.3 | -36.9 | -70.2 | 0 | 0 | 110.4 | Q42 D127 L293 D552 | Q42-Q129 WeakPolarHBondContact CA-O 3.05Å; Q42-Q129 WeakPolarHBondContact CG-O 3.48Å; D127-Q129 VanDerWaalsContact C-N 3.32Å; D127-Q129 PolarHBondContact O-N 2.99Å; D127-Q129 PolarHBondContact O-NE2 2.87Å; D127-Q129 WeakPolarHBondContact OD1-CB 3Å; D127-Q129 PolarHBondContact OD1-N 3.45Å; D127-Q129 WeakPolarHBondContact OD2-CG 3.41Å; Q129-L293 HydrophobicContact CG-CD2 4.23Å; Q129-D552 PolarHBondContact NE2-O 3.47Å; Q129-D552 VanDerWaalsContact NE2-O 3.11Å |
| 130 | W | 82 | Confident | 83.5 | Confident | 16 Ų | 16 | 20.5 Ų | 20.5 | 6% | 0.061 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.7 | 174.7 | -79 | 88.7 | 0 | 0 | 0 | 110 | I12 F41 Q42 F200 S202 L265 P296 L300 | I12-W130 HydrophobicContact CG2-CH2 4.12Å; F41-W130 WeakPolarHBondContact O-CA 3.16Å; Q42-W130 HydrophobicContact CB-CD2 3.82Å; Q42-W130 HydrophobicContact CB-CE3 4.17Å; Q42-W130 HydrophobicContact CB-CG 4.23Å; Q42-W130 HydrophobicContact CB-CH2 4.35Å; Q42-W130 HydrophobicContact CB-CZ2 4.01Å; Q42-W130 HydrophobicContact CB-CZ3 4.41Å; Q42-W130 VanDerWaalsContact OE1-NE1 3.13Å; W130-F200 HydrophobicContact CH2-CB 3.64Å; W130-F200 HydrophobicContact CZ2-CB 3.89Å; W130-S202 WeakPolarHBondContact CZ3-OG 3.47Å; W130-L265 HydrophobicContact CZ2-CD2 4.12Å; W130-P296 HydrophobicContact CB-CB 4.23Å; W130-L300 HydrophobicContact CB-CD2 4.36Å; W130-L300 HydrophobicContact CD2-CD1 4.35Å; W130-L300 HydrophobicContact CD2-CD2 3.88Å; W130-L300 HydrophobicContact CG-CD2 3.68Å; W130-L300 HydrophobicContact CH2-CD1 4.48Å; W130-L300 HydrophobicContact CZ2-CD1 4.27Å |
| 131 | H | 86.8 | Confident | 84.4 | Confident | 5 Ų | 5 | 20.7 Ų | 20.7 | 2% | 0.023 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 147.5 | 174.5 | -67.2 | -71.6 | 0 | 0 | 0 | 111.6 | E40 F41 R124 L125 D127 D147 | E40-H131 WeakPolarHBondContact CA-O 3.45Å; F41-H131 HydrophobicContact CE1-CB 4.08Å; F41-H131 HydrophobicContact CZ-CB 4.14Å; F41-H131 PolarHBondContact N-O 3.32Å; F41-H131 PolarHBondContact O-N 2.94Å; R124-H131 PolarHBondContact O-NE2 3.27Å; R124-H131 VanDerWaalsContact O-NE2 3.14Å; L125-H131 HydrophobicContact CD2-CB 3.86Å; D127-H131 IonicContact OD1-NE2 3.35Å; D127-H131 PolarHBondContact OD1-NE2 3.08Å; H131-D147 VanDerWaalsContact CA-OD1 3.26Å; H131-D147 WeakPolarHBondContact CA-OD1 3.24Å; H131-D147 IonicContact CE1-OD2 2.74Å; H131-D147 IonicContact CG-OD1 3.56Å; H131-D147 IonicContact CG-OD2 3.95Å; H131-D147 IonicContact ND1-OD1 3.79Å; H131-D147 IonicContact ND1-OD2 2.72Å; H131-D147 PolarHBondContact ND1-OD2 3.29Å |
| 132 | S | 87.2 | Confident | 85.5 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.014 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 125.5 | 168.6 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | I39 I146 D147 | I39-S132 WeakPolarHBondContact O-CA 3.44Å; S132-I146 CarbonylContact O-C 3.54Å; S132-I146 WeakPolarHBondContact O-CA 3.46Å; S132-D147 PolarHBondContact N-OD1 2.66Å; S132-D147 PolarHBondContact O-N 3.44Å |
| 133 | I | 92 | Very high | 86.6 | Confident | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.6 | 168.3 | -65.4 | 169 | 0 | 0 | 0 | 107.9 | E38 I39 F41 L50 L62 L69 L125 I146 | E38-I133 WeakPolarHBondContact CA-O 3.33Å; I39-I133 PolarHBondContact N-O 3.02Å; I39-I133 PolarHBondContact O-N 2.86Å; F41-I133 HydrophobicContact CE1-CD1 3.52Å; F41-I133 HydrophobicContact CE1-CG1 3.94Å; F41-I133 HydrophobicContact CZ-CD1 3.98Å; L50-I133 HydrophobicContact CD1-CD1 3.88Å; L62-I133 HydrophobicContact CD1-CG2 4.4Å; L69-I133 HydrophobicContact CD1-CD1 3.78Å; L69-I133 HydrophobicContact CD2-CD1 3.97Å; L69-I133 HydrophobicContact CD2-CG1 4.26Å; L69-I133 HydrophobicContact CD2-CG2 3.94Å; L69-I133 HydrophobicContact CG-CD1 4.42Å; L125-I133 HydrophobicContact CD1-CD1 4.14Å; I133-I146 HydrophobicContact CG1-CG1 4.45Å |
| 134 | I | 92.7 | Very high | 87.2 | Confident | 17 Ų | 17 | 17.2 Ų | 17.2 | 9% | 0.087 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 116 | 167 | -59.5 | 161.9 | 0 | 0 | 0 | 107.4 | R36 I37 E38 E136 V144 Y145 | R36-I134 HydrophobicContact CG-CG2 4.43Å; I37-I134 CarbonylContact O-C 3.58Å; I37-I134 WeakPolarHBondContact O-CA 3.4Å; E38-I134 HydrophobicContact CB-CG1 4.27Å; E38-I134 HydrophobicContact CG-CG1 3.9Å; I134-E136 HydrophobicContact CG2-CG 3.86Å; I134-E136 WeakPolarHBondContact CG2-OE1 3.32Å; I134-V144 WeakPolarHBondContact O-CA 3.27Å; I134-Y145 HydrophobicContact CB-CD2 4.42Å; I134-Y145 HydrophobicContact CG2-CD2 4.41Å; I134-Y145 PolarHBondContact N-O 3.18Å; I134-Y145 PolarHBondContact O-N 2.83Å |
| 135 | L | 95.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 123 | 166.6 | -178.3 | 156.9 | 0 | 0 | 0 | 108.1 | R36 I37 L60 L62 V71 L142 V144 | R36-L135 CarbonylContact C-O 3.33Å; R36-L135 WeakPolarHBondContact CA-O 3.36Å; I37-L135 HydrophobicContact CB-CB 4.44Å; I37-L135 HydrophobicContact CD1-CD2 4.44Å; I37-L135 PolarHBondContact N-O 2.95Å; I37-L135 PolarHBondContact O-N 3.3Å; L60-L135 HydrophobicContact CD1-CD1 3.99Å; L60-L135 HydrophobicContact CD1-CD2 4.4Å; L60-L135 HydrophobicContact CD2-CD2 4.17Å; L62-L135 HydrophobicContact CD2-CD1 3.79Å; V71-L135 HydrophobicContact CG1-CD1 3.82Å; L135-L142 HydrophobicContact CD1-CD1 4.12Å; L135-L142 HydrophobicContact CD2-CD1 3.7Å; L135-L142 HydrophobicContact CG-CD1 3.84Å; L135-V144 HydrophobicContact CD1-CG2 4.19Å; L135-V144 HydrophobicContact CG-CG2 4.17Å |
| 136 | E | 93.2 | Very high | 87.2 | Confident | 56 Ų | 56 | 19.2 Ų | 19.2 | 26% | 0.262 | 10% | 0.101 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 122.1 | 176 | -78.5 | 165.9 | -171.5 | 0 | 0 | 108.9 | E35 R36 I134 Q143 | E35-E136 WeakPolarHBondContact O-CA 3.18Å; R36-E136 HydrophobicContact CB-CG 4.08Å; R36-E136 WeakPolarHBondContact CD-OE1 3.46Å; R36-E136 HydrophobicContact CG-CG 3.69Å; R36-E136 IonicContact CZ-OE1 3.61Å; R36-E136 IonicContact NE-OE1 3.52Å; R36-E136 PolarHBondContact NE-OE1 2.93Å; R36-E136 IonicContact NH2-OE1 3.96Å; I134-E136 HydrophobicContact CG2-CG 3.86Å; I134-E136 WeakPolarHBondContact CG2-OE1 3.32Å; E136-Q143 PolarHBondContact N-O 2.93Å; E136-Q143 PolarHBondContact O-N 3.28Å |
| 137 | R | 90 | Very high | 86.7 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 1% | 0.011 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 117.5 | 167.9 | -170.8 | -175.1 | 70.6 | 91.5 | -4.1 | 108.4 | S32 T33 E34 E35 N139 L141 L142 L156 Y165 | S32-R137 PolarHBondContact O-NH2 3.41Å; T33-R137 PolarHBondContact O-NH1 2.87Å; T33-R137 PolarHBondContact O-NH2 2.89Å; E34-R137 CarbonylContact C-O 3.4Å; E34-R137 WeakPolarHBondContact CA-O 3.14Å; E35-R137 VanDerWaalsContact CD-NH2 3.25Å; E35-R137 PolarHBondContact N-O 3.46Å; E35-R137 PolarHBondContact O-N 3.06Å; E35-R137 IonicContact OE1-CZ 2.74Å; E35-R137 IonicContact OE1-NE 3.78Å; E35-R137 IonicContact OE1-NH2 2.73Å; E35-R137 PolarHBondContact OE1-NH2 3.29Å; E35-R137 IonicContact OE2-CZ 3.51Å; E35-R137 VanDerWaalsContact OE2-CZ 3.26Å; E35-R137 IonicContact OE2-NE 2.67Å; E35-R137 PolarHBondContact OE2-NE 2.67Å; E35-R137 IonicContact OE2-NH2 3.15Å; E35-R137 PolarHBondContact OE2-NH2 3.13Å; R137-N139 PolarHBondContact NH1-O 2.69Å; R137-L141 CarbonylContact C-O 3.54Å; R137-L141 VanDerWaalsContact CA-O 3.27Å; R137-L141 WeakPolarHBondContact CA-O 3.31Å; R137-L142 HydrophobicContact CB-CD1 4.14Å; R137-L156 HydrophobicContact CG-CD1 4.18Å; R137-Y165 PolarHBondContact NH1-O 2.97Å; R137-Y165 PolarHBondContact NH2-O 3.4Å |
| 138 | S | 86 | Confident | 86.2 | Confident | 45 Ų | 45 | 22.4 Ų | 22.4 | 32% | 0.315 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 89.6 | 171.8 | 41.8 | 0 | 0 | 0 | 0 | 108.7 | E34 S140 L141 | E34-S138 WeakPolarHBondContact OE1-CB 3.43Å; S138-S140 PolarHBondContact O-N 2.9Å; S138-L141 PolarHBondContact N-O 2.9Å; S138-L141 PolarHBondContact O-N 2.91Å |
| 139 | N | 80.5 | Confident | 85.5 | Confident | 31 Ų | 31 | 23.4 Ų | 23.4 | 17% | 0.166 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | -93.1 | -171.7 | 179.5 | 25.8 | 0 | 0 | 0 | 114 | T33 R137 R163 L164 Y165 | T33-N139 WeakPolarHBondContact O-CA 3.43Å; T33-N139 PolarHBondContact O-N 3.27Å; R137-N139 PolarHBondContact NH1-O 2.69Å; N139-R163 PolarHBondContact ND2-O 2.02Å; N139-R163 PolarHBondContact OD1-O 3.46Å; N139-L164 WeakPolarHBondContact OD1-CA 3.29Å; N139-Y165 PolarHBondContact OD1-N 3Å |
| 140 | S | 78.4 | Confident | 85.5 | Confident | 38 Ų | 38 | 25.3 Ų | 25.3 | 27% | 0.266 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 5.1 | -176.1 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | S138 L155 L156 | S138-S140 PolarHBondContact O-N 2.9Å; S140-L155 CarbonylContact O-C 3.59Å; S140-L155 WeakPolarHBondContact O-CA 3.21Å; S140-L155 WeakPolarHBondContact O-CD1 3.34Å; S140-L155 WeakPolarHBondContact O-CG 3.23Å; S140-L156 WeakPolarHBondContact CB-O 3.16Å; S140-L156 PolarHBondContact O-N 2.79Å |
| 141 | L | 84 | Confident | 85.4 | Confident | 50 Ų | 50 | 24.6 Ų | 24.6 | 26% | 0.262 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.4 | 173.1 | -179.1 | 57.8 | 0 | 0 | 0 | 109.7 | R137 S138 Q143 L155 | R137-L141 CarbonylContact C-O 3.54Å; R137-L141 VanDerWaalsContact CA-O 3.27Å; R137-L141 WeakPolarHBondContact CA-O 3.31Å; S138-L141 PolarHBondContact N-O 2.9Å; S138-L141 PolarHBondContact O-N 2.91Å; L141-Q143 HydrophobicContact CD1-CG 4.36Å; L141-Q143 HydrophobicContact CG-CG 4.18Å; L141-L155 HydrophobicContact CD1-CD1 4.49Å |
| 142 | L | 88.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 122.7 | 172.8 | 177.9 | 63.8 | 0 | 0 | 0 | 109.3 | L73 L111 L135 R137 F152 T153 R154 L156 | L73-L142 HydrophobicContact CD2-CD2 4.29Å; L111-L142 HydrophobicContact CD2-CD2 3.62Å; L135-L142 HydrophobicContact CD1-CD1 4.12Å; L135-L142 HydrophobicContact CD2-CD1 3.7Å; L135-L142 HydrophobicContact CG-CD1 3.84Å; R137-L142 HydrophobicContact CB-CD1 4.14Å; L142-F152 HydrophobicContact CD2-CE1 4.23Å; L142-F152 HydrophobicContact CG-CE1 4.47Å; L142-T153 CarbonylContact O-C 3.55Å; L142-T153 WeakPolarHBondContact O-CA 3.2Å; L142-R154 PolarHBondContact N-O 3.41Å; L142-R154 PolarHBondContact O-N 2.03Å; L142-L156 HydrophobicContact CB-CD1 4.21Å; L142-L156 HydrophobicContact CB-CD2 4.08Å; L142-L156 HydrophobicContact CB-CG 4.17Å; L142-L156 HydrophobicContact CD2-CD2 4.36Å |
| 143 | Q | 90.9 | Very high | 85 | Confident | 36 Ų | 36 | 26.3 Ų | 26.3 | 17% | 0.168 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.6 | 176.7 | -70.4 | 174.6 | -114.9 | 0 | 0 | 109.8 | E136 L141 Y145 L150 F152 | E136-Q143 PolarHBondContact N-O 2.93Å; E136-Q143 PolarHBondContact O-N 3.28Å; L141-Q143 HydrophobicContact CD1-CG 4.36Å; L141-Q143 HydrophobicContact CG-CG 4.18Å; Q143-Y145 HydrophobicContact CB-CE2 3.93Å; Q143-Y145 PolarHBondContact NE2-OH 3.08Å; Q143-L150 HydrophobicContact CB-CD1 4.01Å; Q143-L150 HydrophobicContact CG-CD1 4.19Å; Q143-F152 WeakPolarHBondContact CA-O 3.26Å |
| 144 | V | 91.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 124.8 | 173.3 | -172 | 0 | 0 | 0 | 0 | 108.7 | L69 V71 I115 I134 L135 V151 F152 | L69-V144 HydrophobicContact CD2-CG1 3.73Å; V71-V144 HydrophobicContact CG2-CG2 4.35Å; I115-V144 HydrophobicContact CD1-CB 4.14Å; I115-V144 HydrophobicContact CD1-CG1 4.2Å; I115-V144 HydrophobicContact CD1-CG2 4.04Å; I134-V144 WeakPolarHBondContact O-CA 3.27Å; L135-V144 HydrophobicContact CD1-CG2 4.19Å; L135-V144 HydrophobicContact CG-CG2 4.17Å; V144-V151 HydrophobicContact CG1-CG2 4.43Å; V144-V151 VanDerWaalsContact O-CG2 3.27Å; V144-V151 WeakPolarHBondContact O-CG2 3.47Å; V144-V151 PolarHBondContact O-N 3.31Å; V144-V151 VanDerWaalsContact O-N 3.16Å; V144-F152 HydrophobicContact CB-CB 4.2Å; V144-F152 HydrophobicContact CG2-CD1 4.13Å; V144-F152 PolarHBondContact N-O 2.94Å; V144-F152 PolarHBondContact O-N 2.81Å |
| 145 | Y | 88.5 | Confident | 83.5 | Confident | 53 Ų | 53 | 30.3 Ų | 30.3 | 21% | 0.208 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 136.8 | 173.4 | -55.6 | -104.7 | 0 | 0 | 0 | 108.7 | I134 Q143 S149 L150 | I134-Y145 HydrophobicContact CB-CD2 4.42Å; I134-Y145 HydrophobicContact CG2-CD2 4.41Å; I134-Y145 PolarHBondContact N-O 3.18Å; I134-Y145 PolarHBondContact O-N 2.83Å; Q143-Y145 HydrophobicContact CB-CE2 3.93Å; Q143-Y145 PolarHBondContact NE2-OH 3.08Å; Y145-S149 VanDerWaalsContact CA-O 3.26Å; Y145-S149 WeakPolarHBondContact CA-O 3.49Å; Y145-L150 HydrophobicContact CD1-CB 3.92Å; Y145-L150 HydrophobicContact CD1-CD1 4.19Å; Y145-L150 HydrophobicContact CD2-CD1 4.37Å; Y145-L150 HydrophobicContact CE1-CB 3.79Å; Y145-L150 HydrophobicContact CE1-CD1 3.89Å; Y145-L150 HydrophobicContact CE1-CG 4.36Å; Y145-L150 HydrophobicContact CE2-CD1 4.05Å; Y145-L150 HydrophobicContact CG-CD1 4.43Å |
| 146 | I | 86.1 | Confident | 82.4 | Confident | 10 Ų | 10 | 30.4 Ų | 30.4 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.4 | 166.7 | -59.5 | 176.8 | 0 | 0 | 0 | 106 | L69 L123 L125 S132 I133 N148 S149 V151 | L69-I146 HydrophobicContact CB-CD1 4.11Å; L69-I146 HydrophobicContact CD2-CD1 4.01Å; L69-I146 HydrophobicContact CD2-CG1 4.26Å; L123-I146 HydrophobicContact CD2-CB 4.49Å; L123-I146 HydrophobicContact CD2-CG2 4Å; L125-I146 HydrophobicContact CD2-CG2 4.03Å; S132-I146 CarbonylContact O-C 3.54Å; S132-I146 WeakPolarHBondContact O-CA 3.46Å; I133-I146 HydrophobicContact CG1-CG1 4.45Å; I146-N148 VanDerWaalsContact C-N 3.31Å; I146-N148 PolarHBondContact O-N 3.43Å; I146-S149 PolarHBondContact N-O 3.27Å; I146-S149 WeakPolarHBondContact O-CA 3.45Å; I146-S149 VanDerWaalsContact O-CB 3.26Å; I146-S149 WeakPolarHBondContact O-CB 3.19Å; I146-S149 PolarHBondContact O-N 2.77Å; I146-V151 HydrophobicContact CB-CG1 4.2Å; I146-V151 HydrophobicContact CB-CG2 4.34Å; I146-V151 HydrophobicContact CD1-CG2 3.91Å; I146-V151 HydrophobicContact CG1-CG1 4.46Å; I146-V151 HydrophobicContact CG1-CG2 3.78Å |
| 147 | D | 78.1 | Confident | 80.9 | Confident | 9 Ų | 9 | 29.8 Ų | 29.8 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 51.7 | -175.6 | -54.3 | -33.4 | 0 | 0 | 0 | 111.9 | H131 S132 S149 K294 | H131-D147 VanDerWaalsContact CA-OD1 3.26Å; H131-D147 WeakPolarHBondContact CA-OD1 3.24Å; H131-D147 IonicContact CE1-OD2 2.74Å; H131-D147 IonicContact CG-OD1 3.56Å; H131-D147 IonicContact CG-OD2 3.95Å; H131-D147 IonicContact ND1-OD1 3.79Å; H131-D147 IonicContact ND1-OD2 2.72Å; H131-D147 PolarHBondContact ND1-OD2 3.29Å; S132-D147 PolarHBondContact N-OD1 2.66Å; S132-D147 PolarHBondContact O-N 3.44Å; D147-S149 PolarHBondContact O-N 3.32Å; D147-S149 PolarHBondContact O-OG 3.27Å; D147-S149 VanDerWaalsContact O-OG 3.14Å; D147-K294 HydrophobicContact CB-CG 4.47Å |
| 148 | N | 73.8 | Confident | 79.3 | Confident | 77 Ų | 77 | 32 Ų | 32 | 41% | 0.412 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 4.9 | -174.3 | -56.7 | 47 | 0 | 0 | 0 | 115.1 | I146 R505 | I146-N148 VanDerWaalsContact C-N 3.31Å; I146-N148 PolarHBondContact O-N 3.43Å; N148-R505 PolarHBondContact OD1-NH1 2.89Å |
| 149 | S | 70.4 | Confident | 77.8 | Confident | 33 Ų | 33 | 34.8 Ų | 34.8 | 23% | 0.231 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 124.1 | -175.6 | -54.1 | 0 | 0 | 0 | 0 | 109.9 | Y145 I146 D147 V151 | Y145-S149 VanDerWaalsContact CA-O 3.26Å; Y145-S149 WeakPolarHBondContact CA-O 3.49Å; I146-S149 PolarHBondContact N-O 3.27Å; I146-S149 WeakPolarHBondContact O-CA 3.45Å; I146-S149 VanDerWaalsContact O-CB 3.26Å; I146-S149 WeakPolarHBondContact O-CB 3.19Å; I146-S149 PolarHBondContact O-N 2.77Å; D147-S149 PolarHBondContact O-N 3.32Å; D147-S149 PolarHBondContact O-OG 3.27Å; D147-S149 VanDerWaalsContact O-OG 3.14Å; S149-V151 PolarHBondContact O-N 2.9Å |
| 150 | L | 79.3 | Confident | 76.3 | Confident | 48 Ų | 48 | 39.9 Ų | 39.9 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 88.5 | -178.7 | -177.7 | 65.7 | 0 | 0 | 0 | 111.2 | N91 Q143 Y145 F152 | N91-L150 PolarHBondContact ND2-O 2.94Å; Q143-L150 HydrophobicContact CB-CD1 4.01Å; Q143-L150 HydrophobicContact CG-CD1 4.19Å; Y145-L150 HydrophobicContact CD1-CB 3.92Å; Y145-L150 HydrophobicContact CD1-CD1 4.19Å; Y145-L150 HydrophobicContact CD2-CD1 4.37Å; Y145-L150 HydrophobicContact CE1-CB 3.79Å; Y145-L150 HydrophobicContact CE1-CD1 3.89Å; Y145-L150 HydrophobicContact CE1-CG 4.36Å; Y145-L150 HydrophobicContact CE2-CD1 4.05Å; Y145-L150 HydrophobicContact CG-CD1 4.43Å; L150-F152 WeakPolarHBondContact CD1-O 3.49Å |
| 151 | V | 80.2 | Confident | 75 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -34.2 | -179.4 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | N91 A92 I115 V144 I146 S149 | N91-V151 CarbonylContact C-O 3.51Å; N91-V151 VanDerWaalsContact C-O 3.27Å; N91-V151 VanDerWaalsContact CB-O 3.31Å; N91-V151 WeakPolarHBondContact CB-O 3.33Å; A92-V151 WeakPolarHBondContact CB-O 3.25Å; I115-V151 HydrophobicContact CG2-CB 4.27Å; I115-V151 HydrophobicContact CG2-CG2 3.91Å; V144-V151 HydrophobicContact CG1-CG2 4.43Å; V144-V151 VanDerWaalsContact O-CG2 3.27Å; V144-V151 WeakPolarHBondContact O-CG2 3.47Å; V144-V151 PolarHBondContact O-N 3.31Å; V144-V151 VanDerWaalsContact O-N 3.16Å; I146-V151 HydrophobicContact CB-CG1 4.2Å; I146-V151 HydrophobicContact CB-CG2 4.34Å; I146-V151 HydrophobicContact CD1-CG2 3.91Å; I146-V151 HydrophobicContact CG1-CG1 4.46Å; I146-V151 HydrophobicContact CG1-CG2 3.78Å; S149-V151 PolarHBondContact O-N 2.9Å |
| 152 | F | 83.8 | Confident | 73.5 | Confident | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.022 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 139.1 | -175.6 | 179.6 | -90.9 | 0 | 0 | 0 | 111.6 | A92 T94 I113 I115 L142 Q143 V144 L150 R154 | A92-F152 HydrophobicContact CB-CB 4.46Å; A92-F152 HydrophobicContact CB-CD2 3.98Å; T94-F152 HydrophobicContact CG2-CE2 4.19Å; I113-F152 HydrophobicContact CD1-CE2 3.8Å; I113-F152 HydrophobicContact CD1-CZ 3.6Å; I113-F152 HydrophobicContact CG2-CE2 4.2Å; I115-F152 HydrophobicContact CD1-CB 3.88Å; I115-F152 HydrophobicContact CD1-CD1 4.42Å; I115-F152 HydrophobicContact CD1-CG 4.04Å; I115-F152 HydrophobicContact CG1-CB 4.41Å; I115-F152 HydrophobicContact CG1-CD2 4.41Å; I115-F152 HydrophobicContact CG1-CG 4.43Å; I115-F152 HydrophobicContact CG2-CB 4.18Å; L142-F152 HydrophobicContact CD2-CE1 4.23Å; L142-F152 HydrophobicContact CG-CE1 4.47Å; Q143-F152 WeakPolarHBondContact CA-O 3.26Å; V144-F152 HydrophobicContact CB-CB 4.2Å; V144-F152 HydrophobicContact CG2-CD1 4.13Å; V144-F152 PolarHBondContact N-O 2.94Å; V144-F152 PolarHBondContact O-N 2.81Å; L150-F152 WeakPolarHBondContact CD1-O 3.49Å; F152-R154 HydrophobicContact CE1-CB 3.61Å; F152-R154 HydrophobicContact CZ-CB 3.55Å; F152-R154 HydrophobicContact CZ-CG 4.36Å |
| 153 | T | 82.4 | Confident | 71.9 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 24% | 0.239 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 138.2 | 169.6 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | L142 | L142-T153 CarbonylContact O-C 3.55Å; L142-T153 WeakPolarHBondContact O-CA 3.2Å |
| 154 | R | 78.7 | Confident | 70.7 | Confident | 34 Ų | 34 | 61 Ų | 61 | 13% | 0.128 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 136.1 | 179.4 | -176.9 | 169.7 | -169.6 | 140.5 | 9 | 111.1 | H97 L142 F152 | H97-R154 PolarHBondContact CE1-NH1 2.77Å; H97-R154 VanDerWaalsContact CE1-NH1 3.33Å; H97-R154 PolarHBondContact NE2-NH1 3.19Å; L142-R154 PolarHBondContact N-O 3.41Å; L142-R154 PolarHBondContact O-N 2.03Å; F152-R154 HydrophobicContact CE1-CB 3.61Å; F152-R154 HydrophobicContact CZ-CB 3.55Å; F152-R154 HydrophobicContact CZ-CG 4.36Å |
| 155 | L | 74.3 | Confident | 70 | Confident | 67 Ų | 67 | 62.4 Ų | 62.4 | 35% | 0.351 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 128.9 | 166.2 | -154 | 79.2 | 0 | 0 | 0 | 109.8 | S140 L141 P159 | S140-L155 CarbonylContact O-C 3.59Å; S140-L155 WeakPolarHBondContact O-CA 3.21Å; S140-L155 WeakPolarHBondContact O-CD1 3.34Å; S140-L155 WeakPolarHBondContact O-CG 3.23Å; L141-L155 HydrophobicContact CD1-CD1 4.49Å; L155-P159 HydrophobicContact CD2-CB 3.85Å; L155-P159 HydrophobicContact CD2-CG 4.23Å |
| 156 | L | 72.4 | Confident | 69.7 | Low | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -89.6 | 102.4 | 173.1 | -50 | -179.3 | 0 | 0 | 0 | 107.8 | L73 F109 L111 R137 S140 L142 Y165 | L73-L156 HydrophobicContact CD2-CD1 3.77Å; L73-L156 HydrophobicContact CD2-CD2 4.47Å; F109-L156 HydrophobicContact CE1-CD2 3.93Å; F109-L156 HydrophobicContact CZ-CD2 3.83Å; L111-L156 HydrophobicContact CD2-CD2 4.47Å; R137-L156 HydrophobicContact CG-CD1 4.18Å; S140-L156 WeakPolarHBondContact CB-O 3.16Å; S140-L156 PolarHBondContact O-N 2.79Å; L142-L156 HydrophobicContact CB-CD1 4.21Å; L142-L156 HydrophobicContact CB-CD2 4.08Å; L142-L156 HydrophobicContact CB-CG 4.17Å; L142-L156 HydrophobicContact CD2-CD2 4.36Å; L156-Y165 WeakPolarHBondContact O-CE2 3.07Å |
| 157 | G | 62.7 | Low | 69.7 | Low | 43 Ų | 43 | 63.2 Ų | 63.2 | 44% | 0.443 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 91.8 | -162.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 158 | S | 56.4 | Low | 70.1 | Confident | 49 Ų | 49 | 65 Ų | 65 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | trans | -101 | 136.7 | -175.9 | -176.1 | 0 | 0 | 0 | 0 | 111 | N160 Y161 | S158-N160 PolarHBondContact O-N 2.84Å; S158-Y161 PolarHBondContact O-N 2.86Å | ||
| 159 | P | 54.4 | Low | 70.8 | Confident | 103 Ų | 103 | 61.3 Ų | 61.3 | 67% | 0.669 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -11 | -176.7 | 27.8 | -36.1 | 0 | 0 | 0 | 114.3 | L155 | L155-P159 HydrophobicContact CD2-CB 3.85Å; L155-P159 HydrophobicContact CD2-CG 4.23Å |
| 160 | N | 48.4 | Very low | 71.7 | Confident | 139 Ų | 139 | 63.5 Ų | 63.5 | 74% | 0.743 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -2.8 | -176.4 | -66.6 | -21.1 | 0 | 0 | 0 | 114.4 | S158 | S158-N160 PolarHBondContact O-N 2.84Š|
| 161 | Y | 50.7 | Low | 72.2 | Confident | 151 Ų | 151 | 62.3 Ų | 62.3 | 59% | 0.592 | 32% | 0.32 | S | S | * | . | trans | -122.9 | 117 | -178.7 | -67.7 | -74.2 | 0 | 0 | 0 | 112.3 | S158 R163 | S158-Y161 PolarHBondContact O-N 2.86Å; Y161-R163 PolarHBondContact O-N 3.42Å | ||
| 162 | Q | 52.5 | Low | 72.8 | Confident | 211 Ų | 211 | 62.3 Ų | 62.3 | 99% | 0.986 | 32% | 0.32 | S | S | * | . | trans | -73.8 | 74.5 | 167.7 | -69.6 | -179.4 | -34.6 | 0 | 0 | 110.3 | ||||
| 163 | R | 55.9 | Low | 73.2 | Confident | 89 Ų | 89 | 62.1 Ų | 62.1 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | trans | -108.5 | 148.5 | 169.3 | -78 | -178.5 | 167.4 | 172.1 | -4 | 110.1 | T78 T80 D81 N139 Y161 | T78-R163 PolarHBondContact OG1-NH1 2.74Å; T80-R163 PolarHBondContact OG1-NH1 3.17Å; T80-R163 PolarHBondContact OG1-NH2 3.3Å; D81-R163 IonicContact OD1-NH1 2.85Å; D81-R163 PolarHBondContact OD1-NH1 3.24Å; D81-R163 IonicContact OD2-CZ 3.78Å; D81-R163 IonicContact OD2-NH1 2.62Å; D81-R163 PolarHBondContact OD2-NH1 3.36Å; N139-R163 PolarHBondContact ND2-O 2.02Å; N139-R163 PolarHBondContact OD1-O 3.46Å; Y161-R163 PolarHBondContact O-N 3.42Å | ||
| 164 | L | 65.7 | Low | 73.7 | Confident | 118 Ų | 118 | 60.3 Ų | 60.3 | 62% | 0.618 | 31% | 0.308 | S | S | * | . | trans | -98.1 | 115.1 | 176.3 | -64.3 | 176.6 | 0 | 0 | 0 | 109.2 | T33 N139 L166 | T33-L164 HydrophobicContact CG2-CB 4.31Å; T33-L164 HydrophobicContact CG2-CD1 4.27Å; T33-L164 HydrophobicContact CG2-CD2 4.04Å; T33-L164 HydrophobicContact CG2-CG 4.44Å; N139-L164 WeakPolarHBondContact OD1-CA 3.29Å; L164-L166 PolarHBondContact O-N 2.79Å | ||
| 165 | Y | 76.3 | Confident | 74.3 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 11% | 0.11 | 30% | 0.302 | C | S | . | . | trans | -81.6 | 109.5 | 167.1 | -66.7 | -75.2 | 0 | 0 | 0 | 107.9 | R137 N139 L156 | R137-Y165 PolarHBondContact NH1-O 2.97Å; R137-Y165 PolarHBondContact NH2-O 3.4Å; N139-Y165 PolarHBondContact OD1-N 3Å; L156-Y165 WeakPolarHBondContact O-CE2 3.07Å | ||
| 166 | L | 81.4 | Confident | 74.7 | Confident | 80 Ų | 80 | 55.5 Ų | 55.5 | 42% | 0.419 | 29% | 0.285 | S | S | . | . | trans | -99.3 | 134.3 | -179 | -68.8 | 167 | 0 | 0 | 0 | 110.2 | S32 T33 Q58 L164 | S32-L166 WeakPolarHBondContact O-CA 3.49Å; T33-L166 HydrophobicContact CG2-CD2 3.57Å; Q58-L166 PolarHBondContact OE1-O 3.03Å; Q58-L166 VanDerWaalsContact OE1-O 3.1Å; L164-L166 PolarHBondContact O-N 2.79Å | ||
| 167 | L | 86.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.6 | 168.5 | -178.4 | 66.4 | 0 | 0 | 0 | 109.8 | T31 S32 E35 Q58 L60 L75 | T31-L167 WeakPolarHBondContact CA-O 3.43Å; S32-L167 PolarHBondContact N-O 2.85Å; S32-L167 PolarHBondContact O-N 2.85Å; E35-L167 HydrophobicContact CG-CD2 4.1Å; Q58-L167 HydrophobicContact CB-CD1 4.1Å; L60-L167 HydrophobicContact CB-CD2 3.88Å; L60-L167 HydrophobicContact CD2-CD2 4.09Å; L75-L167 HydrophobicContact CD2-CB 4.19Å; L75-L167 HydrophobicContact CD2-CD1 3.89Å |
| 168 | H | 86.9 | Confident | 74.9 | Confident | 47 Ų | 47 | 57 Ų | 57 | 22% | 0.218 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 104 | 176.9 | -176.1 | 62.7 | 0 | 0 | 0 | 110.6 | I30 T31 G54 S55 Q170 | I30-H168 CarbonylContact O-C 3.58Å; I30-H168 WeakPolarHBondContact O-CA 3.01Å; T31-H168 HydrophobicContact CG2-CB 4.38Å; T31-H168 VanDerWaalsContact CG2-ND1 3.26Å; T31-H168 WeakPolarHBondContact CG2-ND1 3.35Å; G54-H168 CarbonylContact C-O 3.54Å; G54-H168 VanDerWaalsContact C-O 3.31Å; S55-H168 WeakPolarHBondContact CB-O 3.48Å; S55-H168 PolarHBondContact N-O 2.83Å; S55-H168 PolarHBondContact OG-CD2 2.82Å; S55-H168 PolarHBondContact OG-O 3.02Å; H168-Q170 PolarHBondContact NE2-NE2 2.8Å |
| 169 | T | 88.8 | Confident | 75.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 109.9 | -175.9 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | L25 P29 I30 I172 F206 | L25-T169 HydrophobicContact CD1-CG2 4.03Å; P29-T169 WeakPolarHBondContact CA-O 3.47Å; I30-T169 PolarHBondContact N-O 2.9Å; I30-T169 PolarHBondContact O-N 2.71Å; T169-I172 HydrophobicContact CG2-CD1 4.13Å; T169-I172 HydrophobicContact CG2-CG1 3.64Å; T169-F206 HydrophobicContact CG2-CZ 4.41Å |
| 170 | Q | 88.9 | Confident | 75 | Confident | 79 Ų | 79 | 58.1 Ų | 58.1 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -105.4 | -21.4 | 173.1 | -73.1 | 174.8 | -32.7 | 0 | 0 | 112.6 | L25 P29 G54 H168 | L25-Q170 WeakPolarHBondContact CB-O 3.45Å; L25-Q170 PolarHBondContact N-O 2.93Å; P29-Q170 HydrophobicContact CB-CG 3.88Å; G54-Q170 PolarHBondContact O-N 2.79Å; H168-Q170 PolarHBondContact NE2-NE2 2.8Å |
| 171 | I | 89.4 | Confident | 74.9 | Confident | 23 Ų | 23 | 53.5 Ų | 53.5 | 12% | 0.118 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 138.5 | -176.9 | -63.2 | 179.2 | 0 | 0 | 0 | 108.2 | L22 N23 K24 S53 G54 V173 Y178 L180 | L22-I171 HydrophobicContact CD1-CG2 3.85Å; N23-I171 WeakPolarHBondContact O-CA 3.38Å; K24-I171 HydrophobicContact CG-CG1 4.39Å; S53-I171 WeakPolarHBondContact CA-O 3.39Å; G54-I171 PolarHBondContact N-O 2.94Å; G54-I171 PolarHBondContact O-N 3.22Å; I171-V173 HydrophobicContact CG2-CG2 3.93Å; I171-Y178 HydrophobicContact CD1-CD1 4.45Å; I171-Y178 HydrophobicContact CD1-CE1 3.67Å; I171-Y178 HydrophobicContact CG2-CD1 4.33Å; I171-Y178 HydrophobicContact CG2-CE1 4.42Å; I171-L180 HydrophobicContact CD1-CD2 4.22Å; I171-L180 HydrophobicContact CD1-CG 4.34Å |
| 172 | I | 91.7 | Very high | 74.3 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 132.8 | 169 | -61.7 | 176.1 | 0 | 0 | 0 | 107.7 | N23 L25 F51 C52 T169 F206 M213 I215 F226 | N23-I172 HydrophobicContact CB-CB 4.47Å; N23-I172 PolarHBondContact N-O 2.92Å; N23-I172 PolarHBondContact O-N 2.93Å; L25-I172 HydrophobicContact CD1-CD1 4.12Å; L25-I172 HydrophobicContact CD1-CG1 4.32Å; F51-I172 HydrophobicContact CE2-CG2 3.63Å; F51-I172 HydrophobicContact CZ-CG2 3.83Å; C52-I172 CarbonylContact O-C 3.59Å; C52-I172 WeakPolarHBondContact O-CA 3.21Å; T169-I172 HydrophobicContact CG2-CD1 4.13Å; T169-I172 HydrophobicContact CG2-CG1 3.64Å; I172-F206 HydrophobicContact CD1-CD1 3.82Å; I172-F206 HydrophobicContact CD1-CE1 3.89Å; I172-F206 HydrophobicContact CD1-CG 4.24Å; I172-F206 HydrophobicContact CD1-CZ 4.38Å; I172-M213 HydrophobicContact CD1-CE 3.52Å; I172-I215 HydrophobicContact CG2-CD1 4.14Å; I172-F226 HydrophobicContact CB-CE1 4.34Å; I172-F226 HydrophobicContact CD1-CZ 4.44Å; I172-F226 HydrophobicContact CG2-CE1 4.03Å |
| 173 | V | 92.3 | Very high | 73.5 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 134.5 | -179.6 | 167.9 | 0 | 0 | 0 | 0 | 110.2 | F20 I21 L22 F51 C52 I171 Y178 | F20-V173 HydrophobicContact CD2-CG1 3.85Å; F20-V173 HydrophobicContact CD2-CG2 4.5Å; F20-V173 HydrophobicContact CE2-CG1 4.39Å; F20-V173 HydrophobicContact CE2-CG2 4.44Å; F20-V173 HydrophobicContact CG-CG1 4.46Å; I21-V173 VanDerWaalsContact O-CA 3.28Å; I21-V173 WeakPolarHBondContact O-CA 3.49Å; L22-V173 HydrophobicContact CB-CG2 4.41Å; L22-V173 HydrophobicContact CD1-CG2 3.47Å; L22-V173 VanDerWaalsContact CD1-CG2 3.47Å; F51-V173 CarbonylContact C-O 3.53Å; F51-V173 WeakPolarHBondContact CA-O 3.5Å; F51-V173 VanDerWaalsContact CD2-O 3.28Å; F51-V173 WeakPolarHBondContact CD2-O 3.5Å; C52-V173 HydrophobicContact CB-CB 4.34Å; C52-V173 PolarHBondContact N-O 2.95Å; C52-V173 PolarHBondContact O-N 2.8Å; I171-V173 HydrophobicContact CG2-CG2 3.93Å; V173-Y178 HydrophobicContact CG2-CD2 4.17Å; V173-Y178 HydrophobicContact CG2-CG 3.97Å |
| 174 | L | 94.5 | Very high | 72.8 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 127.1 | 174.5 | -177.5 | 75.6 | 0 | 0 | 0 | 109.2 | F15 I21 I39 F51 I201 A204 I215 L216 | F15-L174 HydrophobicContact CZ-CD2 4.28Å; F15-L174 HydrophobicContact CZ-CG 4.36Å; I21-L174 HydrophobicContact CB-CB 4.28Å; I21-L174 HydrophobicContact CD1-CD2 4.34Å; I21-L174 PolarHBondContact N-O 3.11Å; I21-L174 PolarHBondContact O-N 2.82Å; I39-L174 HydrophobicContact CD1-CD1 3.97Å; I39-L174 HydrophobicContact CG1-CD1 4.43Å; F51-L174 HydrophobicContact CB-CD1 4.47Å; F51-L174 HydrophobicContact CD2-CB 4.46Å; F51-L174 HydrophobicContact CD2-CD1 3.97Å; L174-I201 HydrophobicContact CD1-CD1 4.1Å; L174-I201 HydrophobicContact CD2-CD1 4.07Å; L174-I201 HydrophobicContact CG-CD1 3.97Å; L174-A204 HydrophobicContact CD1-CB 4.06Å; L174-A204 HydrophobicContact CD2-CB 3.43Å; L174-A204 VanDerWaalsContact CD2-CB 3.43Å; L174-A204 HydrophobicContact CG-CB 4.42Å; L174-I215 HydrophobicContact CB-CG2 4.16Å; L174-I215 HydrophobicContact CD2-CB 4.36Å; L174-I215 HydrophobicContact CD2-CG2 3.82Å; L174-L216 HydrophobicContact CD2-CD2 3.89Å |
| 175 | G | 89.6 | Confident | 71.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 78 | 19.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | S49 L50 N196 F197 | S49-G175 CarbonylContact O-C 3.55Å; S49-G175 WeakPolarHBondContact O-CA 3.23Å; L50-G175 PolarHBondContact O-N 3.05Å; G175-N196 WeakPolarHBondContact O-CB 3.36Å; G175-F197 PolarHBondContact O-N 3.08Å |
| 176 | G | 84.5 | Confident | 69.6 | Low | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -151.5 | 160.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | S49 Y178 N196 | S49-G176 WeakPolarHBondContact CB-O 3.46Å; S49-G176 PolarHBondContact OG-O 3.38Å; G176-Y178 PolarHBondContact O-N 3.27Å; G176-N196 VanDerWaalsContact CA-OD1 3.25Å; G176-N196 WeakPolarHBondContact CA-OD1 3.44Å |
| 177 | S | 72.5 | Confident | 67.3 | Low | 25 Ų | 25 | 60.1 Ų | 60.1 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | trans | -91.1 | 72.9 | -177.6 | 50.6 | 0 | 0 | 0 | 0 | 112.4 | K179 D194 N196 | S177-K179 PolarHBondContact O-N 3.47Å; S177-D194 VanDerWaalsContact CB-O 3.23Å; S177-D194 WeakPolarHBondContact CB-O 3.18Å; S177-D194 PolarHBondContact OG-O 2.91Å; S177-N196 PolarHBondContact N-OD1 2.98Å; S177-N196 PolarHBondContact OG-OD1 3.49Å | ||
| 178 | Y | 65.2 | Low | 64.7 | Low | 51 Ų | 51 | 62.5 Ų | 62.5 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | trans | -79.5 | 115.1 | -178.8 | -169.6 | -82.5 | 0 | 0 | 0 | 112.7 | F20 L22 K24 I171 V173 G176 L180 | F20-Y178 AromaticContact CE2-CD2 3.99Å; F20-Y178 HydrophobicContact CE2-CD2 3.99Å; F20-Y178 HydrophobicContact CZ-CD2 4.11Å; L22-Y178 HydrophobicContact CD1-CD2 4.09Å; L22-Y178 HydrophobicContact CD1-CE2 4.07Å; L22-Y178 HydrophobicContact CD2-CE2 4.19Å; K24-Y178 VanDerWaalsContact CE-OH 3.3Å; K24-Y178 WeakPolarHBondContact CE-OH 3.42Å; K24-Y178 PolarHBondContact NZ-OH 2.7Å; I171-Y178 HydrophobicContact CD1-CD1 4.45Å; I171-Y178 HydrophobicContact CD1-CE1 3.67Å; I171-Y178 HydrophobicContact CG2-CD1 4.33Å; I171-Y178 HydrophobicContact CG2-CE1 4.42Å; V173-Y178 HydrophobicContact CG2-CD2 4.17Å; V173-Y178 HydrophobicContact CG2-CG 3.97Å; G176-Y178 PolarHBondContact O-N 3.27Å; Y178-L180 HydrophobicContact CD1-CD1 3.91Å; Y178-L180 HydrophobicContact CD1-CG 4.2Å; Y178-L180 HydrophobicContact CE1-CD1 4.28Å; Y178-L180 HydrophobicContact CE1-CG 4.05Å | ||
| 179 | K | 60.6 | Low | 62.4 | Low | 131 Ų | 131 | 63.2 Ų | 63.2 | 57% | 0.57 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -87.8 | 117.3 | 174.4 | -66.8 | 174.6 | -178.8 | 173 | 0 | 110.2 | S177 D194 | S177-K179 PolarHBondContact O-N 3.47Å; K179-D194 WeakPolarHBondContact CE-OD1 3.27Å; K179-D194 IonicContact NZ-OD1 2.63Å; K179-D194 PolarHBondContact NZ-OD1 3.33Å; K179-D194 IonicContact NZ-OD2 3.19Å; K179-D194 PolarHBondContact NZ-OD2 3.39Å |
| 180 | L | 53.5 | Low | 60.3 | Low | 45 Ų | 45 | 69.8 Ų | 69.8 | 24% | 0.236 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 163 | 165.5 | -69.1 | 89 | 0 | 0 | 0 | 109.5 | S55 E56 L59 I171 Y178 | S55-L180 WeakPolarHBondContact O-CD2 3.37Å; E56-L180 HydrophobicContact CG-CB 4.42Å; E56-L180 HydrophobicContact CG-CD2 4.01Å; L59-L180 HydrophobicContact CD1-CD1 4.1Å; I171-L180 HydrophobicContact CD1-CD2 4.22Å; I171-L180 HydrophobicContact CD1-CG 4.34Å; Y178-L180 HydrophobicContact CD1-CD1 3.91Å; Y178-L180 HydrophobicContact CD1-CG 4.2Å; Y178-L180 HydrophobicContact CE1-CD1 4.28Å; Y178-L180 HydrophobicContact CE1-CG 4.05Å |
| 181 | G | 46.1 | Very low | 58.3 | Low | 42 Ų | 42 | 71.3 Ų | 71.3 | 43% | 0.433 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 162.3 | -163.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | I183 | G181-I183 PolarHBondContact O-N 3.24Š|
| 182 | D | 36.7 | Very low | 56.5 | Low | 165 Ų | 165 | 74.3 Ų | 74.3 | 88% | 0.882 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 13.5 | -163.4 | -56.1 | -75.5 | 0 | 0 | 0 | 117.7 | Y184 | D182-Y184 VanDerWaalsContact C-N 3.35Å; D182-Y184 PolarHBondContact O-N 2.85Å |
| 183 | I | 36.5 | Very low | 54.7 | Low | 132 Ų | 132 | 74.4 Ų | 74.4 | 68% | 0.677 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -17.5 | -171.5 | -66 | 178.8 | 0 | 0 | 0 | 113 | G181 | G181-I183 PolarHBondContact O-N 3.24Š|
| 184 | Y | 41.6 | Very low | 53.3 | Low | 128 Ų | 128 | 77.6 Ų | 77.6 | 50% | 0.502 | 40% | 0.401 | S | S | . | . | trans | -124.9 | 82.4 | 176.5 | -72.8 | -71.8 | 0 | 0 | 0 | 114.2 | D182 M186 | D182-Y184 VanDerWaalsContact C-N 3.35Å; D182-Y184 PolarHBondContact O-N 2.85Å; Y184-M186 PolarHBondContact O-N 3.01Å | ||
| 185 | Q | 35.5 | Very low | 52.6 | Low | 160 Ų | 160 | 81.6 Ų | 81.6 | 75% | 0.748 | 42% | 0.422 | S | S | * | . | trans | -68.6 | 76.3 | 153.6 | -73.1 | -170.3 | -8.5 | 0 | 0 | 110.5 | N187 | Q185-N187 VanDerWaalsContact C-N 3.29Å; Q185-N187 PolarHBondContact O-N 3.14Å | ||
| 186 | M | 38.6 | Very low | 52.4 | Low | 89 Ų | 89 | 82.6 Ų | 82.6 | 44% | 0.438 | 43% | 0.428 | S | S | . | . | trans | -70.6 | 88.5 | 165.7 | -87.4 | -152.3 | 166.3 | 0 | 0 | 109.9 | Y184 S188 | Y184-M186 PolarHBondContact O-N 3.01Å; M186-S188 PolarHBondContact O-N 3.11Å | ||
| 187 | N | 32.6 | Very low | 52.7 | Low | 142 Ų | 142 | 82.6 Ų | 82.6 | 76% | 0.759 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -70.4 | 47.2 | -177.7 | -72.3 | -40 | 0 | 0 | 0 | 114.2 | Q185 | Q185-N187 VanDerWaalsContact C-N 3.29Å; Q185-N187 PolarHBondContact O-N 3.14Å |
| 188 | S | 33 | Very low | 53.5 | Low | 51 Ų | 51 | 85 Ų | 85 | 36% | 0.357 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -166.9 | 45.3 | 174.8 | 63.1 | 0 | 0 | 0 | 0 | 116 | Y100 M186 | Y100-S188 WeakPolarHBondContact CE1-OG 3Å; M186-S188 PolarHBondContact O-N 3.11Å |
| 189 | M | 38.7 | Very low | 54.7 | Low | 62 Ų | 62 | 83.2 Ų | 83.2 | 31% | 0.305 | 44% | 0.435 | S | S | . | . | trans | -149.2 | 128.7 | 166.2 | -106 | 154.9 | -173.3 | 0 | 0 | 111.5 | F72 Y100 Q110 D112 I191 | F72-M189 HydrophobicContact CE2-SD 4.39Å; Y100-M189 HydrophobicContact CD2-CE 4.19Å; Y100-M189 HydrophobicContact CE2-CE 4.25Å; Q110-M189 PolarHBondContact NE2-SD 3.45Å; Q110-M189 VanDerWaalsContact NE2-SD 3.44Å; D112-M189 HydrophobicContact CB-CE 3.54Å; D112-M189 HydrophobicContact CB-SD 4.5Å; D112-M189 WeakPolarHBondContact OD2-CE 3.41Å; M189-I191 PolarHBondContact O-N 2.86Å | ||
| 190 | N | 44.9 | Very low | 56.1 | Low | 137 Ų | 137 | 79 Ų | 79 | 73% | 0.733 | 42% | 0.417 | S | S | * | . | trans | -68.7 | 121.5 | 175.9 | -73 | -16 | 0 | 0 | 0 | 109.7 | I192 | N190-I192 VanDerWaalsContact C-N 3.27Å; N190-I192 HydrophobicContact CB-CD1 4.15Å; N190-I192 HydrophobicContact CB-CG1 3.68Å; N190-I192 PolarHBondContact O-N 3.49Å | ||
| 191 | I | 46.9 | Very low | 57.8 | Low | 111 Ų | 111 | 76.9 Ų | 76.9 | 57% | 0.569 | 41% | 0.406 | S | S | * | . | trans | -80 | 80.7 | 169.8 | -52.8 | 175.2 | 0 | 0 | 0 | 107.2 | M189 S193 D194 | M189-I191 PolarHBondContact O-N 2.86Å; I191-S193 VanDerWaalsContact C-N 3.27Å; I191-S193 PolarHBondContact O-N 2.88Å; I191-D194 HydrophobicContact CG2-CB 4.46Å | ||
| 192 | I | 49.9 | Very low | 59.7 | Low | 87 Ų | 87 | 75.5 Ų | 75.5 | 45% | 0.446 | 39% | 0.389 | S | S | . | . | trans | -72.3 | -22.6 | -172.3 | -59.7 | 172.1 | 0 | 0 | 0 | 111.9 | N47 V65 N190 | N47-I192 WeakPolarHBondContact OD1-CG2 3.2Å; V65-I192 HydrophobicContact CG1-CB 4.26Å; V65-I192 HydrophobicContact CG1-CD1 4.1Å; V65-I192 HydrophobicContact CG1-CG2 3.85Å; V65-I192 HydrophobicContact CG2-CB 4.32Å; V65-I192 HydrophobicContact CG2-CG2 4.45Å; N190-I192 VanDerWaalsContact C-N 3.27Å; N190-I192 HydrophobicContact CB-CD1 4.15Å; N190-I192 HydrophobicContact CB-CG1 3.68Å; N190-I192 PolarHBondContact O-N 3.49Å | ||
| 193 | S | 54.4 | Low | 62.2 | Low | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | trans | -130.1 | 88.8 | 172.3 | 47.7 | 0 | 0 | 0 | 0 | 112.1 | R61 I191 | R61-S193 PolarHBondContact NH2-O 3.5Å; R61-S193 VanDerWaalsContact NH2-O 3.14Å; I191-S193 VanDerWaalsContact C-N 3.27Å; I191-S193 PolarHBondContact O-N 2.88Å | ||
| 194 | D | 63.9 | Low | 64.8 | Low | 68 Ų | 68 | 63 Ų | 63 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | trans | -78 | -5 | 153.4 | -106.8 | -7.2 | 0 | 0 | 0 | 111.3 | S177 K179 I191 | S177-D194 VanDerWaalsContact CB-O 3.23Å; S177-D194 WeakPolarHBondContact CB-O 3.18Å; S177-D194 PolarHBondContact OG-O 2.91Å; K179-D194 WeakPolarHBondContact CE-OD1 3.27Å; K179-D194 IonicContact NZ-OD1 2.63Å; K179-D194 PolarHBondContact NZ-OD1 3.33Å; K179-D194 IonicContact NZ-OD2 3.19Å; K179-D194 PolarHBondContact NZ-OD2 3.39Å; I191-D194 HydrophobicContact CG2-CB 4.46Å | ||
| 195 | N | 78.7 | Confident | 67.3 | Low | 84 Ų | 84 | 57.7 Ų | 57.7 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 136.2 | 176.2 | -63.2 | -5.6 | 0 | 0 | 0 | 111.9 | N47 S49 | N47-N195 WeakPolarHBondContact O-CB 3.15Å; N47-N195 PolarHBondContact O-ND2 3.31Å; S49-N195 PolarHBondContact N-O 3.43Å |
| 196 | N | 85.6 | Confident | 70.1 | Confident | 22 Ų | 22 | 50 Ų | 50 | 12% | 0.118 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 167 | 166.1 | -52.9 | -62.6 | 0 | 0 | 0 | 110.8 | G17 S48 G175 G176 S177 I231 | G17-N196 WeakPolarHBondContact O-CB 3.42Å; G17-N196 PolarHBondContact O-ND2 3.34Å; S48-N196 WeakPolarHBondContact CB-O 3.4Å; G175-N196 WeakPolarHBondContact O-CB 3.36Å; G176-N196 VanDerWaalsContact CA-OD1 3.25Å; G176-N196 WeakPolarHBondContact CA-OD1 3.44Å; S177-N196 PolarHBondContact N-OD1 2.98Å; S177-N196 PolarHBondContact OG-OD1 3.49Å; N196-I231 WeakPolarHBondContact ND2-CD1 3.41Å |
| 197 | F | 91.2 | Very high | 72.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 140.1 | 173.9 | -177.5 | -107.2 | 0 | 0 | 0 | 111.2 | F15 G17 F41 T43 L50 M64 G175 I201 | F15-F197 HydrophobicContact CB-CD1 3.78Å; F15-F197 HydrophobicContact CB-CE1 4.44Å; F15-F197 WeakPolarHBondContact CB-O 3.22Å; F15-F197 HydrophobicContact CD1-CD1 4.34Å; F15-F197 AromaticContact CD2-CD1 3.93Å; F15-F197 HydrophobicContact CD2-CD1 3.93Å; F15-F197 HydrophobicContact CD2-CE1 4.27Å; F15-F197 AromaticContact CG-CD1 3.78Å; F15-F197 HydrophobicContact CG-CD1 3.78Å; F15-F197 HydrophobicContact CG-CE1 4.49Å; G17-F197 WeakPolarHBondContact CA-O 2.92Å; G17-F197 PolarHBondContact N-O 2.81Å; F41-F197 HydrophobicContact CB-CE2 4.43Å; F41-F197 HydrophobicContact CB-CZ 3.94Å; F41-F197 AromaticContact CD2-CE2 3.76Å; F41-F197 HydrophobicContact CD2-CE2 3.76Å; F41-F197 AromaticContact CD2-CZ 3.99Å; F41-F197 HydrophobicContact CD2-CZ 3.99Å; F41-F197 HydrophobicContact CG-CE2 4.4Å; F41-F197 HydrophobicContact CG-CZ 4.37Å; T43-F197 HydrophobicContact CG2-CE2 4.09Å; L50-F197 HydrophobicContact CD2-CD2 3.66Å; L50-F197 HydrophobicContact CD2-CE2 3.83Å; L50-F197 HydrophobicContact CD2-CG 4.45Å; M64-F197 HydrophobicContact CE-CD2 4.06Å; M64-F197 HydrophobicContact CE-CE2 4Å; G175-F197 PolarHBondContact O-N 3.08Å; F197-I201 HydrophobicContact CD1-CD1 3.99Å; F197-I201 HydrophobicContact CD1-CG1 4.02Å; F197-I201 HydrophobicContact CE1-CD1 4Å; F197-I201 HydrophobicContact CE1-CG1 3.53Å; F197-I201 HydrophobicContact CZ-CG1 4.19Å |
| 198 | I | 89.7 | Confident | 75.4 | Confident | 74 Ų | 74 | 42.1 Ų | 42.1 | 38% | 0.379 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 127.7 | 171.4 | -58.2 | 176.8 | 0 | 0 | 0 | 106.8 | F15 T43 E45 | F15-I198 WeakPolarHBondContact O-CA 3.39Å; T43-I198 WeakPolarHBondContact CB-O 3.49Å; T43-I198 PolarHBondContact OG1-O 2.81Å; E45-I198 HydrophobicContact CG-CB 3.94Å; E45-I198 HydrophobicContact CG-CD1 4.17Å; E45-I198 HydrophobicContact CG-CG1 4.37Å |
| 199 | G | 90 | Very high | 77.8 | Confident | 14 Ų | 14 | 42.4 Ų | 42.4 | 14% | 0.144 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.7 | -151 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F15 Q42 | F15-G199 PolarHBondContact N-O 2.73Å; F15-G199 PolarHBondContact O-N 2.81Å; F15-G199 VanDerWaalsContact O-N 3.14Å; Q42-G199 WeakPolarHBondContact O-CA 3.43Å |
| 200 | F | 89.1 | Confident | 79.9 | Confident | 44 Ų | 44 | 44.5 Ų | 44.5 | 19% | 0.193 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 144.9 | -175.4 | -55.7 | -76.1 | 0 | 0 | 0 | 111.5 | I12 A13 A14 F41 Q42 W130 L265 | I12-F200 HydrophobicContact CG2-CB 3.85Å; I12-F200 HydrophobicContact CG2-CD1 4.18Å; I12-F200 HydrophobicContact CG2-CG 4.4Å; A13-F200 CarbonylContact O-C 3.6Å; A13-F200 WeakPolarHBondContact O-CA 3.47Å; A14-F200 HydrophobicContact CB-CD1 3.7Å; A14-F200 HydrophobicContact CB-CE1 3.59Å; F41-F200 CarbonylContact C-O 3.55Å; F41-F200 WeakPolarHBondContact CA-O 3.27Å; F41-F200 WeakPolarHBondContact CB-O 3.27Å; Q42-F200 PolarHBondContact N-O 2.65Å; Q42-F200 PolarHBondContact O-N 2.65Å; W130-F200 HydrophobicContact CH2-CB 3.64Å; W130-F200 HydrophobicContact CZ2-CB 3.89Å; F200-L265 HydrophobicContact CD1-CD1 4.03Å; F200-L265 HydrophobicContact CD2-CD1 4.04Å; F200-L265 HydrophobicContact CE1-CD1 3.7Å; F200-L265 HydrophobicContact CE2-CD1 3.72Å; F200-L265 HydrophobicContact CG-CD1 4.2Å; F200-L265 HydrophobicContact CZ-CD1 3.54Å |
| 201 | I | 90.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.6 | 168.9 | -51.2 | -171.7 | 0 | 0 | 0 | 108.2 | A13 F15 I39 E40 F41 L174 F197 K203 A204 L216 | A13-I201 PolarHBondContact N-O 3.02Å; A13-I201 PolarHBondContact O-N 3.37Å; F15-I201 HydrophobicContact CD2-CD1 4.13Å; F15-I201 HydrophobicContact CD2-CG1 4.02Å; F15-I201 HydrophobicContact CE2-CB 4.09Å; F15-I201 HydrophobicContact CE2-CD1 3.5Å; F15-I201 VanDerWaalsContact CE2-CD1 3.5Å; F15-I201 HydrophobicContact CE2-CG1 3.66Å; F15-I201 HydrophobicContact CZ-CD1 3.78Å; F15-I201 HydrophobicContact CZ-CG1 4.45Å; I39-I201 HydrophobicContact CG2-CG2 4.13Å; E40-I201 WeakPolarHBondContact O-CA 3.03Å; E40-I201 VanDerWaalsContact O-CG2 3.28Å; E40-I201 WeakPolarHBondContact O-CG2 3.23Å; F41-I201 HydrophobicContact CB-CG1 4.16Å; L174-I201 HydrophobicContact CD1-CD1 4.1Å; L174-I201 HydrophobicContact CD2-CD1 4.07Å; L174-I201 HydrophobicContact CG-CD1 3.97Å; F197-I201 HydrophobicContact CD1-CD1 3.99Å; F197-I201 HydrophobicContact CD1-CG1 4.02Å; F197-I201 HydrophobicContact CE1-CD1 4Å; F197-I201 HydrophobicContact CE1-CG1 3.53Å; F197-I201 HydrophobicContact CZ-CG1 4.19Å; I201-K203 WeakPolarHBondContact CG2-O 3.22Å; I201-A204 HydrophobicContact CG2-CB 4.16Å; I201-L216 HydrophobicContact CG2-CD1 4.17Å |
| 202 | S | 86.1 | Confident | 83.9 | Confident | 13 Ų | 13 | 42 Ų | 42 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -32.9 | 178.6 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | E40 W130 | E40-S202 WeakPolarHBondContact CB-OG 3.28Å; E40-S202 PolarHBondContact O-N 3.06Å; E40-S202 PolarHBondContact OE2-OG 3.45Å; W130-S202 WeakPolarHBondContact CZ3-OG 3.47Å |
| 203 | K | 88.1 | Confident | 85.8 | Confident | 33 Ų | 33 | 38.4 Ų | 38.4 | 14% | 0.143 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 136.2 | -176.5 | -170.9 | 179.6 | -176.4 | -177 | 0 | 109.5 | E38 I39 E40 I201 I205 L299 | E38-K203 HydrophobicContact CG-CD 4.37Å; E38-K203 WeakPolarHBondContact OE1-CE 3.13Å; E38-K203 IonicContact OE1-NZ 3.48Å; E38-K203 PolarHBondContact OE1-NZ 2.91Å; E38-K203 IonicContact OE2-NZ 2.73Å; E38-K203 PolarHBondContact OE2-NZ 3.04Å; I39-K203 WeakPolarHBondContact CA-O 3.42Å; E40-K203 HydrophobicContact CB-CB 3.94Å; E40-K203 HydrophobicContact CG-CB 3.92Å; E40-K203 HydrophobicContact CG-CD 4.38Å; E40-K203 PolarHBondContact N-O 3.2Å; I201-K203 WeakPolarHBondContact CG2-O 3.22Å; K203-I205 HydrophobicContact CG-CD1 4.46Å; K203-I205 HydrophobicContact CG-CG1 4.24Å; K203-L299 HydrophobicContact CD-CD1 4.37Å; K203-L299 HydrophobicContact CD-CD2 4.46Å |
| 204 | A | 92.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 91.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | E38 L174 I201 I215 L216 | E38-A204 CarbonylContact O-C 3.58Å; E38-A204 WeakPolarHBondContact O-CA 3.46Å; L174-A204 HydrophobicContact CD1-CB 4.06Å; L174-A204 HydrophobicContact CD2-CB 3.43Å; L174-A204 VanDerWaalsContact CD2-CB 3.43Å; L174-A204 HydrophobicContact CG-CB 4.42Å; I201-A204 HydrophobicContact CG2-CB 4.16Å; A204-I215 HydrophobicContact CB-CB 4.19Å; A204-I215 HydrophobicContact CB-CD1 4.47Å; A204-I215 WeakPolarHBondContact O-CB 3.44Å; A204-I215 WeakPolarHBondContact O-CG1 3.39Å; A204-I215 PolarHBondContact O-N 2.96Å; A204-L216 HydrophobicContact CB-CD2 4.41Å; A204-L216 HydrophobicContact CB-CG 4.16Å |
| 205 | I | 93.6 | Very high | 88.9 | Confident | 17 Ų | 17 | 37 Ų | 37 | 9% | 0.087 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132.4 | 178.4 | -59.4 | -177 | 0 | 0 | 0 | 109.4 | E38 K203 E212 M213 | E38-I205 PolarHBondContact N-O 2.96Å; E38-I205 PolarHBondContact O-N 2.93Å; K203-I205 HydrophobicContact CG-CD1 4.46Å; K203-I205 HydrophobicContact CG-CG1 4.24Å; I205-E212 HydrophobicContact CG2-CG 3.71Å; I205-M213 WeakPolarHBondContact CA-O 3.17Å |
| 206 | F | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 117 | 164.2 | 175.3 | -89.8 | 0 | 0 | 0 | 108.9 | I30 E35 I37 F51 T169 I172 A208 M213 I215 | I30-F206 HydrophobicContact CD1-CE1 4.15Å; E35-F206 HydrophobicContact CG-CZ 4.45Å; I37-F206 HydrophobicContact CG1-CD2 4.02Å; F51-F206 HydrophobicContact CE1-CD2 4.09Å; F51-F206 HydrophobicContact CE1-CE2 4.47Å; F51-F206 HydrophobicContact CZ-CB 4.42Å; F51-F206 AromaticContact CZ-CD2 3.56Å; F51-F206 HydrophobicContact CZ-CD2 3.56Å; F51-F206 HydrophobicContact CZ-CE2 4.21Å; F51-F206 HydrophobicContact CZ-CG 4.3Å; T169-F206 HydrophobicContact CG2-CZ 4.41Å; I172-F206 HydrophobicContact CD1-CD1 3.82Å; I172-F206 HydrophobicContact CD1-CE1 3.89Å; I172-F206 HydrophobicContact CD1-CG 4.24Å; I172-F206 HydrophobicContact CD1-CZ 4.38Å; F206-A208 HydrophobicContact CD1-CB 4.48Å; F206-A208 HydrophobicContact CE1-CB 3.62Å; F206-A208 HydrophobicContact CZ-CB 3.95Å; F206-M213 HydrophobicContact CD1-CE 3.54Å; F206-M213 HydrophobicContact CE1-CE 4.01Å; F206-M213 PolarHBondContact N-O 2.95Å; F206-M213 PolarHBondContact O-N 2.98Å; F206-I215 HydrophobicContact CB-CD1 4.17Å |
| 207 | Q | 93.5 | Very high | 89.5 | Confident | 62 Ų | 62 | 37.4 Ų | 37.4 | 29% | 0.29 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 139.2 | 170.8 | -175.8 | -169 | -9.7 | 0 | 0 | 109.7 | E35 R36 D209 L211 E212 | E35-Q207 CarbonylContact C-O 3.59Å; E35-Q207 VanDerWaalsContact CA-O 3.3Å; E35-Q207 WeakPolarHBondContact CA-O 3.3Å; R36-Q207 HydrophobicContact CB-CB 4.18Å; R36-Q207 PolarHBondContact N-O 3.27Å; R36-Q207 PolarHBondContact O-N 2.81Å; Q207-D209 PolarHBondContact NE2-O 2.84Å; Q207-L211 CarbonylContact C-O 3.38Å; Q207-L211 WeakPolarHBondContact CA-O 3.3Å; Q207-L211 WeakPolarHBondContact CG-O 3.37Å; Q207-E212 HydrophobicContact CB-CG 4.49Å; Q207-E212 HydrophobicContact CG-CB 4.42Å |
| 208 | A | 88.8 | Confident | 89.4 | Confident | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 114.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | I30 E34 F206 A210 L211 | I30-A208 HydrophobicContact CG2-CB 3.71Å; E34-A208 CarbonylContact O-C 3.04Å; E34-A208 WeakPolarHBondContact O-CA 3.04Å; F206-A208 HydrophobicContact CD1-CB 4.48Å; F206-A208 HydrophobicContact CE1-CB 3.62Å; F206-A208 HydrophobicContact CZ-CB 3.95Å; A208-A210 PolarHBondContact O-N 3.48Å; A208-L211 PolarHBondContact N-O 3.03Å; A208-L211 PolarHBondContact O-N 3.49Å |
| 209 | D | 84.8 | Confident | 89.4 | Confident | 57 Ų | 57 | 35.9 Ų | 35.9 | 31% | 0.305 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.1 | -107.6 | -163.4 | -48.9 | -50.6 | 0 | 0 | 0 | 111.6 | S32 T33 E34 Q207 | S32-D209 VanDerWaalsContact CA-OD2 3.23Å; S32-D209 WeakPolarHBondContact CA-OD2 3.09Å; S32-D209 WeakPolarHBondContact CB-OD2 3.46Å; T33-D209 WeakPolarHBondContact CA-OD1 3.27Å; T33-D209 PolarHBondContact N-OD1 2.91Å; T33-D209 PolarHBondContact N-OD2 3.46Å; T33-D209 PolarHBondContact OG1-OD1 3.42Å; E34-D209 PolarHBondContact N-OD1 2.83Å; E34-D209 PolarHBondContact O-N 2.88Å; Q207-D209 PolarHBondContact NE2-O 2.84Å |
| 210 | A | 81.7 | Confident | 89.2 | Confident | 106 Ų | 106 | 38.6 Ų | 38.6 | 88% | 0.876 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 4.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A208 | A208-A210 PolarHBondContact O-N 3.48Š|
| 211 | L | 86.2 | Confident | 89 | Confident | 79 Ų | 79 | 39 Ų | 39 | 41% | 0.414 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 126.1 | 175.1 | 174.5 | 65.7 | 0 | 0 | 0 | 109.8 | I30 Q207 A208 M213 | I30-L211 HydrophobicContact CD1-CD2 3.62Å; I30-L211 HydrophobicContact CG1-CD2 4.03Å; Q207-L211 CarbonylContact C-O 3.38Å; Q207-L211 WeakPolarHBondContact CA-O 3.3Å; Q207-L211 WeakPolarHBondContact CG-O 3.37Å; A208-L211 PolarHBondContact N-O 3.03Å; A208-L211 PolarHBondContact O-N 3.49Å; L211-M213 HydrophobicContact CD1-CG 4.26Å; L211-M213 HydrophobicContact CD2-CE 4.21Å; L211-M213 HydrophobicContact CD2-CG 4.49Å; L211-M213 HydrophobicContact CD2-SD 4.25Å; L211-M213 HydrophobicContact CG-CG 4.18Å |
| 212 | E | 90.6 | Very high | 88.6 | Confident | 117 Ų | 117 | 43.7 Ų | 43.7 | 55% | 0.547 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 141.5 | 172.9 | -170.7 | 176.6 | -179.7 | 0 | 0 | 110.2 | I205 Q207 | I205-E212 HydrophobicContact CG2-CG 3.71Å; Q207-E212 HydrophobicContact CB-CG 4.49Å; Q207-E212 HydrophobicContact CG-CB 4.42Å |
| 213 | M | 89.2 | Confident | 88.2 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 5% | 0.054 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 117.6 | 179.8 | -59.9 | -169 | -75.6 | 0 | 0 | 111.1 | I30 I172 I205 F206 L211 F218 F226 | I30-M213 HydrophobicContact CD1-CE 3.76Å; I172-M213 HydrophobicContact CD1-CE 3.52Å; I205-M213 WeakPolarHBondContact CA-O 3.17Å; F206-M213 HydrophobicContact CD1-CE 3.54Å; F206-M213 HydrophobicContact CE1-CE 4.01Å; F206-M213 PolarHBondContact N-O 2.95Å; F206-M213 PolarHBondContact O-N 2.98Å; L211-M213 HydrophobicContact CD1-CG 4.26Å; L211-M213 HydrophobicContact CD2-CE 4.21Å; L211-M213 HydrophobicContact CD2-CG 4.49Å; L211-M213 HydrophobicContact CD2-SD 4.25Å; L211-M213 HydrophobicContact CG-CG 4.18Å; M213-F218 HydrophobicContact CB-CD2 4.12Å; M213-F218 HydrophobicContact CB-CE2 3.75Å; M213-F218 HydrophobicContact CG-CE2 3.91Å; M213-F226 HydrophobicContact CE-CZ 4.42Å; M213-F226 HydrophobicContact SD-CE2 4.06Å; M213-F226 HydrophobicContact SD-CZ 4.23Å |
| 214 | D | 90.6 | Very high | 87.8 | Confident | 41 Ų | 41 | 51.8 Ų | 51.8 | 22% | 0.219 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 115.7 | 164.1 | -170.2 | -62.6 | 0 | 0 | 0 | 109.6 | L216 E217 F218 | D214-L216 VanDerWaalsContact C-N 3.34Å; D214-L216 WeakPolarHBondContact OD1-CA 3.23Å; D214-L216 WeakPolarHBondContact OD1-CB 3.38Å; D214-L216 PolarHBondContact OD1-N 3.09Å; D214-E217 HydrophobicContact CB-CB 4.11Å; D214-E217 PolarHBondContact OD1-N 2.91Å; D214-F218 WeakPolarHBondContact O-CB 3.39Å; D214-F218 WeakPolarHBondContact O-CD2 3.17Å; D214-F218 WeakPolarHBondContact O-CG 3.47Å; D214-F218 PolarHBondContact O-N 2.91Å; D214-F218 VanDerWaalsContact O-N 3.15Å |
| 215 | I | 92.5 | Very high | 87.3 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.6 | -30.2 | -174.5 | -62 | 172.4 | 0 | 0 | 0 | 111.1 | I21 F51 I172 L174 A204 F206 T219 F226 | I21-I215 HydrophobicContact CB-CG2 4.47Å; I21-I215 HydrophobicContact CD1-CG2 4.38Å; I21-I215 HydrophobicContact CG2-CG2 3.76Å; F51-I215 HydrophobicContact CD2-CD1 4.37Å; F51-I215 HydrophobicContact CE2-CD1 3.69Å; I172-I215 HydrophobicContact CG2-CD1 4.14Å; L174-I215 HydrophobicContact CB-CG2 4.16Å; L174-I215 HydrophobicContact CD2-CB 4.36Å; L174-I215 HydrophobicContact CD2-CG2 3.82Å; A204-I215 HydrophobicContact CB-CB 4.19Å; A204-I215 HydrophobicContact CB-CD1 4.47Å; A204-I215 WeakPolarHBondContact O-CB 3.44Å; A204-I215 WeakPolarHBondContact O-CG1 3.39Å; A204-I215 PolarHBondContact O-N 2.96Å; F206-I215 HydrophobicContact CB-CD1 4.17Å; I215-T219 VanDerWaalsContact O-CB 3.3Å; I215-T219 WeakPolarHBondContact O-CB 3.45Å; I215-T219 PolarHBondContact O-N 3.17Å; I215-T219 VanDerWaalsContact O-N 3.13Å; I215-T219 PolarHBondContact O-OG1 2.8Å; I215-F226 HydrophobicContact CB-CE1 4.28Å; I215-F226 HydrophobicContact CD1-CE1 4.5Å; I215-F226 HydrophobicContact CG1-CE1 3.84Å; I215-F226 HydrophobicContact CG1-CZ 4.12Å; I215-F226 HydrophobicContact CG2-CD1 3.83Å; I215-F226 HydrophobicContact CG2-CE1 3.9Å |
| 216 | L | 90.5 | Very high | 87 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -79.5 | -46.3 | -178.1 | -57.4 | -172.5 | 0 | 0 | 0 | 110.7 | A13 I21 L174 I201 A204 D214 T219 L220 F259 | A13-L216 HydrophobicContact CB-CD1 4.39Å; A13-L216 HydrophobicContact CB-CD2 3.87Å; I21-L216 HydrophobicContact CD1-CD2 3.95Å; L174-L216 HydrophobicContact CD2-CD2 3.89Å; I201-L216 HydrophobicContact CG2-CD1 4.17Å; A204-L216 HydrophobicContact CB-CD2 4.41Å; A204-L216 HydrophobicContact CB-CG 4.16Å; D214-L216 VanDerWaalsContact C-N 3.34Å; D214-L216 WeakPolarHBondContact OD1-CA 3.23Å; D214-L216 WeakPolarHBondContact OD1-CB 3.38Å; D214-L216 PolarHBondContact OD1-N 3.09Å; L216-T219 PolarHBondContact O-N 3Å; L216-L220 WeakPolarHBondContact O-CB 3.44Å; L216-L220 WeakPolarHBondContact O-CG 3.28Å; L216-L220 PolarHBondContact O-N 2.85Å; L216-F259 HydrophobicContact CB-CE1 4.33Å; L216-F259 HydrophobicContact CD2-CE1 4.45Å |
| 217 | E | 87 | Confident | 86.7 | Confident | 107 Ų | 107 | 60 Ų | 60 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 175.7 | -171.5 | -178.9 | -167 | 0 | 0 | 111.2 | D214 T219 L220 S221 | D214-E217 HydrophobicContact CB-CB 4.11Å; D214-E217 PolarHBondContact OD1-N 2.91Å; E217-T219 VanDerWaalsContact C-N 3.31Å; E217-T219 PolarHBondContact O-N 3.21Å; E217-L220 PolarHBondContact O-N 3.33Å; E217-S221 WeakPolarHBondContact O-CB 3.46Å; E217-S221 PolarHBondContact O-N 2.9Å; E217-S221 PolarHBondContact O-OG 3.46Å |
| 218 | F | 89.6 | Confident | 86.5 | Confident | 34 Ų | 34 | 60.2 Ų | 60.2 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.3 | -29.5 | 177.8 | -65.9 | -13.2 | 0 | 0 | 0 | 112.8 | M213 D214 S221 S222 L223 H224 F226 | M213-F218 HydrophobicContact CB-CD2 4.12Å; M213-F218 HydrophobicContact CB-CE2 3.75Å; M213-F218 HydrophobicContact CG-CE2 3.91Å; D214-F218 WeakPolarHBondContact O-CB 3.39Å; D214-F218 WeakPolarHBondContact O-CD2 3.17Å; D214-F218 WeakPolarHBondContact O-CG 3.47Å; D214-F218 PolarHBondContact O-N 2.91Å; D214-F218 VanDerWaalsContact O-N 3.15Å; F218-S221 WeakPolarHBondContact CA-OG 3.43Å; F218-S221 PolarHBondContact O-OG 3.37Å; F218-S222 CarbonylContact O-C 3.59Å; F218-S222 WeakPolarHBondContact O-CA 3.49Å; F218-S222 PolarHBondContact O-N 3.42Å; F218-L223 PolarHBondContact O-N 3.29Å; F218-H224 AromaticContact CD1-CD2 3.64Å; F218-H224 HydrophobicContact CD2-CB 3.9Å; F218-H224 AromaticContact CD2-CD2 3.72Å; F218-H224 AromaticContact CD2-CG 3.94Å; F218-H224 AromaticContact CE1-CD2 3.6Å; F218-H224 AromaticContact CE1-NE2 3.96Å; F218-H224 HydrophobicContact CE2-CB 4.31Å; F218-H224 AromaticContact CE2-CD2 3.65Å; F218-H224 AromaticContact CE2-CG 3.93Å; F218-H224 HydrophobicContact CG-CB 4.28Å; F218-H224 AromaticContact CG-CD2 3.71Å; F218-H224 AromaticContact CZ-CD2 3.6Å; F218-H224 AromaticContact CZ-NE2 3.9Å; F218-F226 HydrophobicContact CB-CB 4.43Å; F218-F226 HydrophobicContact CB-CD2 3.67Å; F218-F226 HydrophobicContact CB-CE2 4.32Å; F218-F226 HydrophobicContact CB-CG 4.29Å; F218-F226 HydrophobicContact CD2-CD2 4.05Å; F218-F226 AromaticContact CD2-CE2 3.88Å; F218-F226 HydrophobicContact CD2-CE2 3.88Å; F218-F226 HydrophobicContact CG-CD2 4.39Å |
| 219 | T | 90 | Very high | 86.4 | Confident | 8 Ų | 8 | 62.9 Ų | 62.9 | 5% | 0.049 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71.9 | -44.9 | 171.1 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | I21 I215 L216 E217 S221 S222 I228 F259 | I21-T219 HydrophobicContact CD1-CG2 3.98Å; I21-T219 HydrophobicContact CG1-CG2 4.14Å; I21-T219 VanDerWaalsContact CG2-OG1 3.28Å; I21-T219 WeakPolarHBondContact CG2-OG1 3.46Å; I215-T219 VanDerWaalsContact O-CB 3.3Å; I215-T219 WeakPolarHBondContact O-CB 3.45Å; I215-T219 PolarHBondContact O-N 3.17Å; I215-T219 VanDerWaalsContact O-N 3.13Å; I215-T219 PolarHBondContact O-OG1 2.8Å; L216-T219 PolarHBondContact O-N 3Å; E217-T219 VanDerWaalsContact C-N 3.31Å; E217-T219 PolarHBondContact O-N 3.21Å; T219-S221 VanDerWaalsContact C-N 3.33Å; T219-S221 PolarHBondContact O-N 2.64Å; T219-S222 PolarHBondContact O-N 2.99Å; T219-S222 VanDerWaalsContact O-N 3.1Å; T219-I228 HydrophobicContact CG2-CD1 4.4Å; T219-I228 HydrophobicContact CG2-CG1 3.82Å; T219-F259 HydrophobicContact CG2-CE2 3.92Å; T219-F259 HydrophobicContact CG2-CZ 3.96Å |
| 220 | L | 85.7 | Confident | 86.2 | Confident | 71 Ų | 71 | 62.3 Ų | 62.3 | 37% | 0.372 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.6 | -43.8 | 176.8 | -86.7 | 163.6 | 0 | 0 | 0 | 112.6 | K11 L216 E217 S222 F259 | K11-L220 HydrophobicContact CB-CD1 4.28Å; K11-L220 HydrophobicContact CB-CD2 4.46Å; K11-L220 HydrophobicContact CD-CD2 4.05Å; L216-L220 WeakPolarHBondContact O-CB 3.44Å; L216-L220 WeakPolarHBondContact O-CG 3.28Å; L216-L220 PolarHBondContact O-N 2.85Å; E217-L220 PolarHBondContact O-N 3.33Å; L220-S222 VanDerWaalsContact C-N 3.33Å; L220-F259 HydrophobicContact CD1-CD1 3.86Å; L220-F259 HydrophobicContact CD1-CE1 3.92Å; L220-F259 HydrophobicContact CD2-CB 3.7Å; L220-F259 HydrophobicContact CD2-CD1 3.62Å; L220-F259 HydrophobicContact CD2-CD2 3.78Å; L220-F259 HydrophobicContact CD2-CE1 4.12Å; L220-F259 HydrophobicContact CD2-CE2 4.27Å; L220-F259 HydrophobicContact CD2-CG 3.42Å; L220-F259 VanDerWaalsContact CD2-CG 3.42Å; L220-F259 HydrophobicContact CD2-CZ 4.42Å; L220-F259 HydrophobicContact CG-CD1 3.63Å; L220-F259 HydrophobicContact CG-CD2 4.19Å; L220-F259 HydrophobicContact CG-CE1 3.63Å; L220-F259 HydrophobicContact CG-CE2 4.19Å; L220-F259 HydrophobicContact CG-CG 3.91Å; L220-F259 HydrophobicContact CG-CZ 3.92Å |
| 221 | S | 84.2 | Confident | 85.7 | Confident | 53 Ų | 53 | 61.7 Ų | 61.7 | 37% | 0.371 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -7 | 177.9 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | E217 F218 T219 L223 | E217-S221 WeakPolarHBondContact O-CB 3.46Å; E217-S221 PolarHBondContact O-N 2.9Å; E217-S221 PolarHBondContact O-OG 3.46Å; F218-S221 WeakPolarHBondContact CA-OG 3.43Å; F218-S221 PolarHBondContact O-OG 3.37Å; T219-S221 VanDerWaalsContact C-N 3.33Å; T219-S221 PolarHBondContact O-N 2.64Å; S221-L223 PolarHBondContact O-N 2.03Å; S221-L223 WeakPolarHBondContact OG-CG 3.33Å |
| 222 | S | 82.1 | Confident | 84.5 | Confident | 98 Ų | 98 | 62.8 Ų | 62.8 | 69% | 0.685 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 31.4 | -172.1 | -61 | 0 | 0 | 0 | 0 | 113.9 | F218 T219 L220 | F218-S222 CarbonylContact O-C 3.59Å; F218-S222 WeakPolarHBondContact O-CA 3.49Å; F218-S222 PolarHBondContact O-N 3.42Å; T219-S222 PolarHBondContact O-N 2.99Å; T219-S222 VanDerWaalsContact O-N 3.1Å; L220-S222 VanDerWaalsContact C-N 3.33Å |
| 223 | L | 77.2 | Confident | 82.3 | Confident | 93 Ų | 93 | 62.4 Ų | 62.4 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | trans | -93.5 | 167.2 | 179.5 | -65.4 | 178.4 | 0 | 0 | 0 | 112.2 | F218 S221 G225 F226 | F218-L223 PolarHBondContact O-N 3.29Å; S221-L223 PolarHBondContact O-N 2.03Å; S221-L223 WeakPolarHBondContact OG-CG 3.33Å; L223-G225 PolarHBondContact O-N 3.37Å; L223-F226 PolarHBondContact O-N 3.36Å | ||
| 224 | H | 80.1 | Confident | 79.9 | Confident | 123 Ų | 123 | 69.9 Ų | 69.9 | 57% | 0.569 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 7.1 | 174.3 | -60.2 | -79.5 | 0 | 0 | 0 | 117.1 | N23 F218 F226 | N23-H224 PolarHBondContact ND2-O 3.08Å; F218-H224 AromaticContact CD1-CD2 3.64Å; F218-H224 HydrophobicContact CD2-CB 3.9Å; F218-H224 AromaticContact CD2-CD2 3.72Å; F218-H224 AromaticContact CD2-CG 3.94Å; F218-H224 AromaticContact CE1-CD2 3.6Å; F218-H224 AromaticContact CE1-NE2 3.96Å; F218-H224 HydrophobicContact CE2-CB 4.31Å; F218-H224 AromaticContact CE2-CD2 3.65Å; F218-H224 AromaticContact CE2-CG 3.93Å; F218-H224 HydrophobicContact CG-CB 4.28Å; F218-H224 AromaticContact CG-CD2 3.71Å; F218-H224 AromaticContact CZ-CD2 3.6Å; F218-H224 AromaticContact CZ-NE2 3.9Å; H224-F226 HydrophobicContact CB-CD2 4.17Å; H224-F226 HydrophobicContact CB-CE2 4.35Å |
| 225 | G | 81.2 | Confident | 77.2 | Confident | 45 Ų | 45 | 73.4 Ų | 73.4 | 46% | 0.464 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | 5.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N23 L223 | N23-G225 PolarHBondContact OD1-O 2.83Å; L223-G225 PolarHBondContact O-N 3.37Å |
| 226 | F | 88 | Confident | 74.2 | Confident | 4 Ų | 4 | 81.1 Ų | 81.1 | 2% | 0.018 | 45% | 0.445 | C | S | . | . | trans | -73.5 | 131.7 | 172 | -70.2 | -87.1 | 0 | 0 | 0 | 110.3 | I21 N23 I172 M213 I215 F218 L223 H224 | I21-F226 HydrophobicContact CG2-CB 4.37Å; I21-F226 HydrophobicContact CG2-CD1 3.97Å; N23-F226 HydrophobicContact CB-CD1 3.63Å; N23-F226 HydrophobicContact CB-CD2 4.38Å; N23-F226 HydrophobicContact CB-CE1 3.67Å; N23-F226 HydrophobicContact CB-CE2 4.41Å; N23-F226 HydrophobicContact CB-CG 4Å; N23-F226 HydrophobicContact CB-CZ 4.08Å; N23-F226 VanDerWaalsContact ND2-CD2 3.26Å; N23-F226 WeakPolarHBondContact ND2-CD2 3.22Å; N23-F226 WeakPolarHBondContact ND2-CE2 3.38Å; I172-F226 HydrophobicContact CB-CE1 4.34Å; I172-F226 HydrophobicContact CD1-CZ 4.44Å; I172-F226 HydrophobicContact CG2-CE1 4.03Å; M213-F226 HydrophobicContact CE-CZ 4.42Å; M213-F226 HydrophobicContact SD-CE2 4.06Å; M213-F226 HydrophobicContact SD-CZ 4.23Å; I215-F226 HydrophobicContact CB-CE1 4.28Å; I215-F226 HydrophobicContact CD1-CE1 4.5Å; I215-F226 HydrophobicContact CG1-CE1 3.84Å; I215-F226 HydrophobicContact CG1-CZ 4.12Å; I215-F226 HydrophobicContact CG2-CD1 3.83Å; I215-F226 HydrophobicContact CG2-CE1 3.9Å; F218-F226 HydrophobicContact CB-CB 4.43Å; F218-F226 HydrophobicContact CB-CD2 3.67Å; F218-F226 HydrophobicContact CB-CE2 4.32Å; F218-F226 HydrophobicContact CB-CG 4.29Å; F218-F226 HydrophobicContact CD2-CD2 4.05Å; F218-F226 AromaticContact CD2-CE2 3.88Å; F218-F226 HydrophobicContact CD2-CE2 3.88Å; F218-F226 HydrophobicContact CG-CD2 4.39Å; L223-F226 PolarHBondContact O-N 3.36Å; H224-F226 HydrophobicContact CB-CD2 4.17Å; H224-F226 HydrophobicContact CB-CE2 4.35Å | ||
| 227 | R | 88.3 | Confident | 71.5 | Confident | 142 Ų | 142 | 90.4 Ų | 90.4 | 54% | 0.536 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 151.7 | -178.9 | 71.4 | -175.1 | -158 | 174.8 | 12.1 | 111.8 | L22 | L22-R227 PolarHBondContact N-O 3.33Å; L22-R227 WeakPolarHBondContact O-CG 3.25Å; L22-R227 PolarHBondContact O-N 2.82Å |
| 228 | I | 88.7 | Confident | 68.7 | Low | 66 Ų | 66 | 91.4 Ų | 91.4 | 34% | 0.338 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 131.3 | 172 | -53.8 | 167.9 | 0 | 0 | 0 | 109.2 | T219 P256 I257 F259 | T219-I228 HydrophobicContact CG2-CD1 4.4Å; T219-I228 HydrophobicContact CG2-CG1 3.82Å; I228-P256 HydrophobicContact CG2-CB 4.13Å; I228-P256 HydrophobicContact CG2-CG 3.72Å; I228-I257 HydrophobicContact CD1-CB 4.24Å; I228-I257 HydrophobicContact CG1-CD1 4.38Å; I228-I257 HydrophobicContact CG2-CB 4.26Å; I228-I257 HydrophobicContact CG2-CD1 4.04Å; I228-I257 HydrophobicContact CG2-CG1 4.08Å; I228-F259 HydrophobicContact CD1-CE2 4.29Å |
| 229 | Q | 86 | Confident | 65.9 | Low | 59 Ų | 59 | 100.4 Ų | 100.4 | 28% | 0.276 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 106.2 | 178.5 | -176 | 61.7 | 70 | 0 | 0 | 109.1 | G19 F20 L22 | G19-Q229 CarbonylContact C-O 3.49Å; G19-Q229 WeakPolarHBondContact CA-O 3.27Å; F20-Q229 HydrophobicContact CD2-CB 4.13Å; F20-Q229 HydrophobicContact CE1-CB 4.45Å; F20-Q229 HydrophobicContact CE1-CG 4.19Å; F20-Q229 HydrophobicContact CE2-CB 3.84Å; F20-Q229 HydrophobicContact CE2-CG 3.94Å; F20-Q229 HydrophobicContact CZ-CB 4.01Å; F20-Q229 HydrophobicContact CZ-CG 3.66Å; F20-Q229 PolarHBondContact N-O 2.77Å; F20-Q229 VanDerWaalsContact N-O 3.08Å; F20-Q229 PolarHBondContact O-N 3.1Å; L22-Q229 HydrophobicContact CB-CB 4.36Å; L22-Q229 HydrophobicContact CD2-CB 4.41Å; L22-Q229 HydrophobicContact CD2-CG 4.34Å |
| 230 | S | 80.5 | Confident | 63.1 | Low | 45 Ų | 45 | 106.6 Ų | 106.6 | 32% | 0.315 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.6 | 150.7 | 172.4 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | L232 | S230-L232 PolarHBondContact OG-N 3.42Å |
| 231 | I | 71 | Confident | 60.5 | Low | 93 Ų | 93 | 111.1 Ų | 111.1 | 48% | 0.477 | 59% | 0.585 | S | S | . | * | trans | -103.6 | -20 | 174.5 | -65 | 165.1 | 0 | 0 | 0 | 111.4 | N18 F20 N196 | N18-I231 PolarHBondContact O-N 3.2Å; F20-I231 HydrophobicContact CD1-CD1 4.09Å; F20-I231 HydrophobicContact CD1-CG1 4.47Å; F20-I231 HydrophobicContact CE1-CD1 4.09Å; F20-I231 HydrophobicContact CE1-CG1 4.15Å; N196-I231 WeakPolarHBondContact ND2-CD1 3.41Å | ||
| 232 | L | 61.3 | Low | 57.9 | Low | 101 Ų | 101 | 114.6 Ų | 114.6 | 53% | 0.529 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -65.6 | 128.1 | 171.4 | -74.2 | 160.1 | 0 | 0 | 0 | 109.7 | N18 S230 L234 | N18-L232 HydrophobicContact CB-CD1 4.32Å; S230-L232 PolarHBondContact OG-N 3.42Å; L232-L234 PolarHBondContact O-N 2.81Å |
| 233 | P | 45.4 | Very low | 55.4 | Low | 109 Ų | 109 | 117.6 Ų | 117.6 | 71% | 0.708 | 61% | 0.612 | S | S | * | * | trans | -65.2 | 127.5 | 177.3 | 26.8 | -33.4 | 0 | 0 | 0 | 109.9 | T235 | P233-T235 PolarHBondContact O-N 3.35Š| ||
| 234 | L | 38.2 | Very low | 53.2 | Low | 168 Ų | 168 | 121.6 Ų | 121.6 | 88% | 0.88 | 63% | 0.628 | S | S | * | * | trans | -64 | 97.3 | 175.8 | -80.1 | 161.7 | 0 | 0 | 0 | 110 | L232 N236 | L232-L234 PolarHBondContact O-N 2.81Å; L234-N236 PolarHBondContact O-N 3.11Å | ||
| 235 | T | 34.4 | Very low | 50.8 | Low | 116 Ų | 116 | 123.3 Ų | 123.3 | 71% | 0.712 | 64% | 0.64 | S | S | * | * | trans | -70.6 | 124 | 166 | 44.9 | 0 | 0 | 0 | 0 | 108.6 | P233 K237 | P233-T235 PolarHBondContact O-N 3.35Å; T235-K237 PolarHBondContact O-N 3.24Å | ||
| 236 | N | 29.9 | Very low | 48.2 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 87% | 0.872 | 65% | 0.652 | S | S | * | * | trans | -56.9 | 108 | -176.7 | -78 | -18.5 | 0 | 0 | 0 | 111.1 | L234 | L234-N236 PolarHBondContact O-N 3.11Š| ||
| 237 | K | 33.3 | Very low | 45.3 | Very low | 200 Ų | 200 | 132.8 Ų | 132.8 | 87% | 0.87 | 69% | 0.686 | S | S | * | * | trans | -101 | 101.3 | 159.8 | -75.4 | -168.5 | 174.4 | -175.1 | 0 | 108.7 | T235 | T235-K237 PolarHBondContact O-N 3.24Š| ||
| 238 | T | 28.1 | Very low | 42.4 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | trans | -61.4 | 148.3 | 162.5 | 44.3 | 0 | 0 | 0 | 0 | 109.9 | D240 | T238-D240 PolarHBondContact O-N 2.87Š| ||
| 239 | Y | 30.1 | Very low | 39.4 | Very low | 222 Ų | 222 | 138.8 Ų | 138.8 | 87% | 0.871 | 72% | 0.721 | S | S | * | * | trans | -59.7 | 128.2 | 164 | -81.5 | -116.4 | 0 | 0 | 0 | 108.9 | ||||
| 240 | D | 30.7 | Very low | 36.9 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | -174.1 | 156.1 | 110.6 | -110.3 | -34.4 | 0 | 0 | 0 | 115 | T238 | T238-D240 PolarHBondContact O-N 2.87Š| |||
| 241 | Q | 31.1 | Very low | 34.5 | Very low | 165 Ų | 165 | 147 Ų | 147 | 77% | 0.771 | 77% | 0.767 | S | S | * | * | trans | 52.1 | 100.3 | 154.3 | -62.8 | -179.5 | 15.2 | 0 | 0 | 122 | ||||
| 242 | V | 30.2 | Very low | 33 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | 32.7 | 118.1 | 122.8 | -175 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 243 | N | 30.7 | Very low | 32.1 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | -164 | 154.6 | 124.6 | -101.7 | -39.6 | 0 | 0 | 0 | 112.2 | |||||
| 244 | E | 30.3 | Very low | 32.7 | Very low | 178 Ų | 178 | 148.4 Ų | 148.4 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -86.8 | 136.2 | -175.3 | -55.6 | 174.3 | 121.5 | 0 | 0 | 112.4 | ||||
| 245 | I | 28.5 | Very low | 34.2 | Very low | 159 Ų | 159 | 146 Ų | 146 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | trans | -157.8 | 130 | 157.6 | -91.2 | 126.9 | 0 | 0 | 0 | 110.5 | ||||
| 246 | N | 27.9 | Very low | 36.5 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | trans | 21.1 | 115.3 | 160.2 | -63 | -21.2 | 0 | 0 | 0 | 121.2 | Y248 | N246-Y248 VanDerWaalsContact C-N 3.33Å; N246-Y248 PolarHBondContact O-N 2.75Å; N246-Y248 VanDerWaalsContact O-N 3.07Å | ||
| 247 | P | 26.7 | Very low | 39.2 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 74% | 0.74 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -86.5 | 51.7 | 176.5 | 38.1 | -37.8 | 0 | 0 | 0 | 114 | ||
| 248 | Y | 27.1 | Very low | 41.8 | Very low | 206 Ų | 206 | 129.6 Ų | 129.6 | 81% | 0.808 | 68% | 0.678 | S | S | * | * | trans | -136.4 | 41.6 | -178.7 | -75 | -71.4 | 0 | 0 | 0 | 115 | N246 | N246-Y248 VanDerWaalsContact C-N 3.33Å; N246-Y248 PolarHBondContact O-N 2.75Å; N246-Y248 VanDerWaalsContact O-N 3.07Å | ||
| 249 | T | 26.4 | Very low | 44.6 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | trans | -161 | 73.3 | 162.8 | 12.9 | 0 | 0 | 0 | 0 | 110.8 | N251 | T249-N251 VanDerWaalsContact C-N 3.32Å; T249-N251 PolarHBondContact O-N 2.79Å | ||
| 250 | T | 33.1 | Very low | 47 | Very low | 118 Ų | 118 | 115.8 Ų | 115.8 | 72% | 0.724 | 61% | 0.613 | S | S | * | * | trans | -74.7 | 79.7 | 178.7 | 36.7 | 0 | 0 | 0 | 0 | 112.3 | N252 | T250-N252 PolarHBondContact O-N 3.42Š| ||
| 251 | N | 30.3 | Very low | 49.1 | Very low | 157 Ų | 157 | 112.9 Ų | 112.9 | 84% | 0.84 | 59% | 0.594 | S | S | * | * | trans | -66.1 | 81.8 | 157.7 | -82.7 | -19.5 | 0 | 0 | 0 | 108.6 | T249 T253 | T249-N251 VanDerWaalsContact C-N 3.32Å; T249-N251 PolarHBondContact O-N 2.79Å; N251-T253 PolarHBondContact O-N 2.92Å | ||
| 252 | N | 39.9 | Very low | 50.9 | Low | 120 Ų | 120 | 105.5 Ų | 105.5 | 64% | 0.642 | 56% | 0.56 | S | S | * | * | trans | -61.1 | 107 | -176.8 | -77.4 | -11.6 | 0 | 0 | 0 | 111.1 | T250 T254 | T250-N252 PolarHBondContact O-N 3.42Å; N252-T254 HydrophobicContact CB-CG2 4.04Å; N252-T254 PolarHBondContact O-N 2.85Å | ||
| 253 | T | 42.6 | Very low | 52.6 | Low | 142 Ų | 142 | 100.1 Ų | 100.1 | 87% | 0.871 | 53% | 0.528 | S | S | * | . | trans | -67.5 | 88.7 | 150.8 | 44.3 | 0 | 0 | 0 | 0 | 107 | N251 E255 | N251-T253 PolarHBondContact O-N 2.92Å; T253-E255 PolarHBondContact O-N 3.02Å | ||
| 254 | T | 56.5 | Low | 54.6 | Low | 71 Ų | 71 | 96.2 Ų | 96.2 | 44% | 0.436 | 51% | 0.507 | S | S | . | . | trans | -62.1 | 129.6 | -174.7 | 43.8 | 0 | 0 | 0 | 0 | 110.8 | N252 | N252-T254 HydrophobicContact CB-CG2 4.04Å; N252-T254 PolarHBondContact O-N 2.85Å | ||
| 255 | E | 70.7 | Confident | 56.5 | Low | 118 Ų | 118 | 88.1 Ų | 88.1 | 55% | 0.551 | 47% | 0.47 | S | S | * | . | trans | -59 | 146.3 | 172 | -64.8 | -171.9 | 131.3 | 0 | 0 | 109.8 | S16 T253 I257 | S16-E255 PolarHBondContact OG-O 2.97Å; T253-E255 PolarHBondContact O-N 3.02Å; E255-I257 PolarHBondContact O-N 3.3Å | ||
| 256 | P | 82.2 | Confident | 58.3 | Low | 27 Ų | 27 | 81 Ų | 81 | 18% | 0.175 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -57.4 | -39.1 | 178.9 | 20.5 | -32 | 0 | 0 | 0 | 111.9 | S16 I228 | S16-P256 PolarHBondContact N-O 2.88Å; S16-P256 WeakPolarHBondContact OG-CA 3.42Å; S16-P256 PolarHBondContact OG-O 2.92Å; S16-P256 VanDerWaalsContact OG-O 3.1Å; I228-P256 HydrophobicContact CG2-CB 4.13Å; I228-P256 HydrophobicContact CG2-CG 3.72Å |
| 257 | I | 87 | Confident | 60.2 | Low | 5 Ų | 5 | 78.4 Ų | 78.4 | 3% | 0.026 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 128.2 | 170.6 | -54.3 | 176.2 | 0 | 0 | 0 | 107.5 | A13 A14 F15 I21 I228 E255 F259 | A13-I257 HydrophobicContact CB-CG2 4.14Å; A14-I257 VanDerWaalsContact O-CA 3.31Å; A14-I257 WeakPolarHBondContact O-CA 3.29Å; F15-I257 HydrophobicContact CD1-CD1 3.66Å; F15-I257 HydrophobicContact CD1-CG1 3.77Å; F15-I257 HydrophobicContact CD2-CG2 4.4Å; F15-I257 HydrophobicContact CE1-CD1 3.31Å; F15-I257 HydrophobicContact CE1-CG1 3.97Å; F15-I257 HydrophobicContact CE2-CG2 4.39Å; F15-I257 HydrophobicContact CG-CD1 4.4Å; F15-I257 HydrophobicContact CG-CG1 4.18Å; F15-I257 HydrophobicContact CZ-CD1 3.79Å; I21-I257 HydrophobicContact CD1-CD1 4.19Å; I21-I257 HydrophobicContact CG1-CD1 3.48Å; I21-I257 VanDerWaalsContact CG1-CD1 3.48Å; I228-I257 HydrophobicContact CD1-CB 4.24Å; I228-I257 HydrophobicContact CG1-CD1 4.38Å; I228-I257 HydrophobicContact CG2-CB 4.26Å; I228-I257 HydrophobicContact CG2-CD1 4.04Å; I228-I257 HydrophobicContact CG2-CG1 4.08Å; E255-I257 PolarHBondContact O-N 3.3Å; I257-F259 HydrophobicContact CG2-CE2 4.46Å |
| 258 | Q | 88 | Confident | 62.2 | Low | 102 Ų | 102 | 76.7 Ų | 76.7 | 48% | 0.477 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.4 | 174.3 | -169.7 | -176.1 | 3.5 | 0 | 0 | 109.4 | A14 I260 | A14-Q258 WeakPolarHBondContact CB-O 3.33Å; A14-Q258 PolarHBondContact N-O 2.83Å; A14-Q258 PolarHBondContact O-N 2.79Å; Q258-I260 HydrophobicContact CB-CD1 4.5Å; Q258-I260 HydrophobicContact CB-CG1 4.19Å; Q258-I260 HydrophobicContact CG-CD1 4.44Å; Q258-I260 HydrophobicContact CG-CG1 3.89Å |
| 259 | F | 86.2 | Confident | 64 | Low | 37 Ų | 37 | 67.2 Ų | 67.2 | 16% | 0.162 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 105.5 | 174.4 | -77.7 | -81 | 0 | 0 | 0 | 110.7 | K11 A13 L216 T219 L220 I228 I257 | K11-F259 HydrophobicContact CB-CB 4Å; K11-F259 HydrophobicContact CB-CD1 4.23Å; K11-F259 HydrophobicContact CD-CB 3.97Å; A13-F259 HydrophobicContact CB-CD1 4.08Å; A13-F259 HydrophobicContact CB-CE1 3.68Å; A13-F259 HydrophobicContact CB-CZ 4.26Å; L216-F259 HydrophobicContact CB-CE1 4.33Å; L216-F259 HydrophobicContact CD2-CE1 4.45Å; T219-F259 HydrophobicContact CG2-CE2 3.92Å; T219-F259 HydrophobicContact CG2-CZ 3.96Å; L220-F259 HydrophobicContact CD1-CD1 3.86Å; L220-F259 HydrophobicContact CD1-CE1 3.92Å; L220-F259 HydrophobicContact CD2-CB 3.7Å; L220-F259 HydrophobicContact CD2-CD1 3.62Å; L220-F259 HydrophobicContact CD2-CD2 3.78Å; L220-F259 HydrophobicContact CD2-CE1 4.12Å; L220-F259 HydrophobicContact CD2-CE2 4.27Å; L220-F259 HydrophobicContact CD2-CG 3.42Å; L220-F259 VanDerWaalsContact CD2-CG 3.42Å; L220-F259 HydrophobicContact CD2-CZ 4.42Å; L220-F259 HydrophobicContact CG-CD1 3.63Å; L220-F259 HydrophobicContact CG-CD2 4.19Å; L220-F259 HydrophobicContact CG-CE1 3.63Å; L220-F259 HydrophobicContact CG-CE2 4.19Å; L220-F259 HydrophobicContact CG-CG 3.91Å; L220-F259 HydrophobicContact CG-CZ 3.92Å; I228-F259 HydrophobicContact CD1-CE2 4.29Å; I257-F259 HydrophobicContact CG2-CE2 4.46Å |
| 260 | I | 81.1 | Confident | 65.9 | Low | 25 Ų | 25 | 63.2 Ų | 63.2 | 13% | 0.128 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 143.2 | -168.5 | -53 | -175.3 | 0 | 0 | 0 | 110 | K11 I12 A14 Q258 D264 | K11-I260 WeakPolarHBondContact CA-O 3.36Å; I12-I260 PolarHBondContact N-O 3.13Å; I12-I260 PolarHBondContact O-N 3.05Å; A14-I260 HydrophobicContact CB-CD1 3.51Å; A14-I260 HydrophobicContact CB-CG1 4.05Å; Q258-I260 HydrophobicContact CB-CD1 4.5Å; Q258-I260 HydrophobicContact CB-CG1 4.19Å; Q258-I260 HydrophobicContact CG-CD1 4.44Å; Q258-I260 HydrophobicContact CG-CG1 3.89Å; I260-D264 HydrophobicContact CG2-CB 3.67Å |
| 261 | H | 74.8 | Confident | 67.4 | Low | 77 Ų | 77 | 64.8 Ų | 64.8 | 36% | 0.356 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 139.9 | 169.6 | -86.6 | -112.7 | 0 | 0 | 0 | 110.1 | P9 K11 C263 D264 L265 | P9-H261 VanDerWaalsContact CB-CE1 3.47Å; P9-H261 WeakPolarHBondContact CB-CE1 3.24Å; K11-H261 WeakPolarHBondContact CE-NE2 3.42Å; H261-C263 PolarHBondContact O-N 2.02Å; H261-D264 PolarHBondContact O-N 3.01Å; H261-L265 PolarHBondContact O-N 3.11Å |
| 262 | I | 67.9 | Low | 68.8 | Low | 11 Ų | 11 | 61 Ų | 61 | 6% | 0.056 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.7 | -28.7 | -179.4 | -171.5 | 166.3 | 0 | 0 | 0 | 113.1 | I12 D264 L265 I266 L303 L304 | I12-I262 HydrophobicContact CD1-CB 4.03Å; I12-I262 HydrophobicContact CD1-CD1 4.01Å; I12-I262 HydrophobicContact CD1-CG1 3.87Å; I262-D264 VanDerWaalsContact C-N 3.34Å; I262-D264 PolarHBondContact O-N 2.91Å; I262-L265 WeakPolarHBondContact O-CB 3.36Å; I262-L265 PolarHBondContact O-N 3.15Å; I262-L265 VanDerWaalsContact O-N 3.16Å; I262-I266 HydrophobicContact CG1-CD1 4.13Å; I262-I266 HydrophobicContact CG1-CG1 4.24Å; I262-I266 VanDerWaalsContact O-CG1 3.28Å; I262-I266 WeakPolarHBondContact O-CG1 3.36Å; I262-I266 PolarHBondContact O-N 2.68Å; I262-L303 HydrophobicContact CB-CD2 4Å; I262-L303 HydrophobicContact CD1-CB 3.75Å; I262-L303 HydrophobicContact CD1-CD2 3.82Å; I262-L303 HydrophobicContact CD1-CG 4.39Å; I262-L303 HydrophobicContact CG2-CD2 3.84Å; I262-L304 HydrophobicContact CD1-CD2 3.69Å; I262-L304 HydrophobicContact CD1-CG 3.9Å; I262-L304 HydrophobicContact CG1-CD2 4.21Å |
| 263 | C | 67.7 | Low | 69.5 | Low | 14 Ų | 14 | 62.9 Ų | 62.9 | 10% | 0.095 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.2 | -41 | 174.8 | -56.3 | 0 | 0 | 0 | 0 | 113.3 | H261 I266 N267 C310 | H261-C263 PolarHBondContact O-N 2.02Å; C263-I266 PolarHBondContact O-N 3.23Å; C263-N267 WeakPolarHBondContact O-CB 3.42Å; C263-N267 VanDerWaalsContact O-CG 3.29Å; C263-N267 PolarHBondContact O-N 2.77Å; C263-N267 PolarHBondContact O-ND2 2.65Å; C263-C310 HydrophobicContact CB-CB 3.45Å; C263-C310 VanDerWaalsContact CB-CB 3.45Å; C263-C310 WeakPolarHBondContact CB-SG 3.49Å; C263-C310 WeakPolarHBondContact SG-CB 3.41Å; C263-C310 CovalentContact SG-SG 2.02Å; C263-C310 PolarHBondContact SG-SG 2.85Å |
| 264 | D | 71.2 | Confident | 70 | Confident | 78 Ų | 78 | 60.7 Ų | 60.7 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.2 | -35.4 | 176.8 | -52.8 | -47 | 0 | 0 | 0 | 110.6 | I260 H261 I262 N267 N268 | I260-D264 HydrophobicContact CG2-CB 3.67Å; H261-D264 PolarHBondContact O-N 3.01Å; I262-D264 VanDerWaalsContact C-N 3.34Å; I262-D264 PolarHBondContact O-N 2.91Å; D264-N267 PolarHBondContact O-N 2.8Å; D264-N268 VanDerWaalsContact O-CB 3.31Å; D264-N268 WeakPolarHBondContact O-CB 3.07Å; D264-N268 PolarHBondContact O-N 3.37Å; D264-N268 PolarHBondContact O-ND2 3.41Å; D264-N268 VanDerWaalsContact O-ND2 3.12Å |
| 265 | L | 71.1 | Confident | 70.2 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 171.8 | -177.8 | 66.9 | 0 | 0 | 0 | 111.5 | I12 W130 F200 H261 I262 N267 N268 M269 | I12-L265 HydrophobicContact CD1-CD2 3.48Å; I12-L265 VanDerWaalsContact CD1-CD2 3.48Å; I12-L265 HydrophobicContact CG2-CD2 4.45Å; W130-L265 HydrophobicContact CZ2-CD2 4.12Å; F200-L265 HydrophobicContact CD1-CD1 4.03Å; F200-L265 HydrophobicContact CD2-CD1 4.04Å; F200-L265 HydrophobicContact CE1-CD1 3.7Å; F200-L265 HydrophobicContact CE2-CD1 3.72Å; F200-L265 HydrophobicContact CG-CD1 4.2Å; F200-L265 HydrophobicContact CZ-CD1 3.54Å; H261-L265 PolarHBondContact O-N 3.11Å; I262-L265 WeakPolarHBondContact O-CB 3.36Å; I262-L265 PolarHBondContact O-N 3.15Å; I262-L265 VanDerWaalsContact O-N 3.16Å; L265-N267 VanDerWaalsContact C-N 3.33Å; L265-N267 PolarHBondContact O-N 2.97Å; L265-N268 PolarHBondContact O-N 2.93Å; L265-M269 HydrophobicContact CD1-CG 4.14Å; L265-M269 HydrophobicContact CG-CG 4.26Å; L265-M269 VanDerWaalsContact O-CB 3.25Å; L265-M269 WeakPolarHBondContact O-CB 3.37Å; L265-M269 WeakPolarHBondContact O-CG 3.36Å; L265-M269 PolarHBondContact O-N 3.24Å |
| 266 | I | 66.4 | Low | 70.4 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 176.6 | -66.8 | 162.9 | 0 | 0 | 0 | 110.9 | I262 C263 N270 L304 S307 | I262-I266 HydrophobicContact CG1-CD1 4.13Å; I262-I266 HydrophobicContact CG1-CG1 4.24Å; I262-I266 VanDerWaalsContact O-CG1 3.28Å; I262-I266 WeakPolarHBondContact O-CG1 3.36Å; I262-I266 PolarHBondContact O-N 2.68Å; C263-I266 PolarHBondContact O-N 3.23Å; I266-N270 WeakPolarHBondContact CG2-ND2 3.23Å; I266-N270 WeakPolarHBondContact O-CB 3.35Å; I266-N270 PolarHBondContact O-N 3.2Å; I266-N270 PolarHBondContact O-ND2 3.14Å; I266-L304 HydrophobicContact CD1-CD2 3.65Å; I266-L304 HydrophobicContact CG1-CD2 3.66Å; I266-S307 WeakPolarHBondContact CD1-OG 3.43Å |
| 267 | N | 68.3 | Low | 70.2 | Confident | 78 Ų | 78 | 51.5 Ų | 51.5 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.9 | -48.7 | 177.2 | -75.7 | -30.9 | 0 | 0 | 0 | 111 | C263 D264 L265 M269 N270 Q271 | C263-N267 WeakPolarHBondContact O-CB 3.42Å; C263-N267 VanDerWaalsContact O-CG 3.29Å; C263-N267 PolarHBondContact O-N 2.77Å; C263-N267 PolarHBondContact O-ND2 2.65Å; D264-N267 PolarHBondContact O-N 2.8Å; L265-N267 VanDerWaalsContact C-N 3.33Å; L265-N267 PolarHBondContact O-N 2.97Å; N267-M269 PolarHBondContact O-N 3.28Å; N267-N270 PolarHBondContact O-N 2.62Å; N267-Q271 WeakPolarHBondContact O-CB 3.01Å; N267-Q271 VanDerWaalsContact O-CG 3.27Å; N267-Q271 WeakPolarHBondContact O-CG 3.33Å; N267-Q271 PolarHBondContact O-N 3Å |
| 268 | N | 67.8 | Low | 69.8 | Low | 79 Ų | 79 | 51.5 Ų | 51.5 | 42% | 0.422 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 176.3 | -70.6 | -27.4 | 0 | 0 | 0 | 112 | D264 L265 Q271 M272 | D264-N268 VanDerWaalsContact O-CB 3.31Å; D264-N268 WeakPolarHBondContact O-CB 3.07Å; D264-N268 PolarHBondContact O-N 3.37Å; D264-N268 PolarHBondContact O-ND2 3.41Å; D264-N268 VanDerWaalsContact O-ND2 3.12Å; L265-N268 PolarHBondContact O-N 2.93Å; N268-Q271 PolarHBondContact O-N 2.89Å; N268-M272 WeakPolarHBondContact O-CG 3.44Å; N268-M272 PolarHBondContact O-N 3.22Å; N268-M272 VanDerWaalsContact O-N 3.14Å |
| 269 | M | 65 | Low | 69.2 | Low | 7 Ų | 7 | 46.7 Ų | 46.7 | 3% | 0.034 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.9 | -38.6 | 177.2 | -75.3 | -72.3 | -71.6 | 0 | 0 | 112.7 | L265 N267 M272 L549 R550 | L265-M269 HydrophobicContact CD1-CG 4.14Å; L265-M269 HydrophobicContact CG-CG 4.26Å; L265-M269 VanDerWaalsContact O-CB 3.25Å; L265-M269 WeakPolarHBondContact O-CB 3.37Å; L265-M269 WeakPolarHBondContact O-CG 3.36Å; L265-M269 PolarHBondContact O-N 3.24Å; N267-M269 PolarHBondContact O-N 3.28Å; M269-M272 PolarHBondContact O-N 3.28Å; M269-M272 HydrophobicContact SD-CE 3.7Å; M269-M272 HydrophobicContact SD-SD 4.26Å; M269-L549 HydrophobicContact CE-CD1 4.44Å; M269-R550 WeakPolarHBondContact CE-O 3.44Å |
| 270 | N | 65.4 | Low | 68.3 | Low | 44 Ų | 44 | 47.5 Ų | 47.5 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -75.5 | -27 | 175.8 | -83.5 | -66.4 | 0 | 0 | 0 | 113.1 | I266 N267 M272 R543 G548 | I266-N270 WeakPolarHBondContact CG2-ND2 3.23Å; I266-N270 WeakPolarHBondContact O-CB 3.35Å; I266-N270 PolarHBondContact O-N 3.2Å; I266-N270 PolarHBondContact O-ND2 3.14Å; N267-N270 PolarHBondContact O-N 2.62Å; N270-M272 VanDerWaalsContact C-N 3.32Å; N270-R543 PolarHBondContact OD1-NH2 2.99Å; N270-G548 PolarHBondContact ND2-O 2.95Å |
| 271 | Q | 64.5 | Low | 67 | Low | 150 Ų | 150 | 48.9 Ų | 48.9 | 70% | 0.701 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -76.1 | -14.4 | 172.2 | -73.3 | 178.9 | 23.6 | 0 | 0 | 113.7 | N267 N268 I273 | N267-Q271 WeakPolarHBondContact O-CB 3.01Å; N267-Q271 VanDerWaalsContact O-CG 3.27Å; N267-Q271 WeakPolarHBondContact O-CG 3.33Å; N267-Q271 PolarHBondContact O-N 3Å; N268-Q271 PolarHBondContact O-N 2.89Å; Q271-I273 PolarHBondContact O-N 2.91Å |
| 272 | M | 60.2 | Low | 65.6 | Low | 79 Ų | 79 | 50 Ų | 50 | 39% | 0.389 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -59.5 | 133.7 | 176.1 | -65.1 | -160.2 | -169.5 | 0 | 0 | 111.7 | N268 M269 N270 R550 | N268-M272 WeakPolarHBondContact O-CG 3.44Å; N268-M272 PolarHBondContact O-N 3.22Å; N268-M272 VanDerWaalsContact O-N 3.14Å; M269-M272 PolarHBondContact O-N 3.28Å; M269-M272 HydrophobicContact SD-CE 3.7Å; M269-M272 HydrophobicContact SD-SD 4.26Å; N270-M272 VanDerWaalsContact C-N 3.32Å; M272-R550 PolarHBondContact O-NH1 3.3Å |
| 273 | I | 54.4 | Low | 64.3 | Low | 158 Ų | 158 | 52.7 Ų | 52.7 | 81% | 0.81 | 29% | 0.291 | S | S | * | . | trans | -59.1 | 144.5 | -173.4 | -60.6 | 174.6 | 0 | 0 | 0 | 110.5 | Q271 S275 | Q271-I273 PolarHBondContact O-N 2.91Å; I273-S275 PolarHBondContact O-N 3.29Å | ||
| 274 | T | 53.2 | Low | 62.8 | Low | 96 Ų | 96 | 60.1 Ų | 60.1 | 59% | 0.589 | 33% | 0.328 | S | S | * | . | trans | -61.2 | 101.3 | -164.3 | 54.5 | 0 | 0 | 0 | 0 | 114.8 | S276 | T274-S276 VanDerWaalsContact C-N 3.29Å; T274-S276 PolarHBondContact O-N 2.97Å | ||
| 275 | S | 61.7 | Low | 61.2 | Low | 8 Ų | 8 | 62.1 Ų | 62.1 | 6% | 0.056 | 34% | 0.338 | C | S | . | . | trans | -73.6 | 75.2 | 168.5 | 39.5 | 0 | 0 | 0 | 0 | 111.9 | I273 Q554 | I273-S275 PolarHBondContact O-N 3.29Å; S275-Q554 VanDerWaalsContact CB-CB 3.49Å | ||
| 276 | S | 73.6 | Confident | 60 | Low | 15 Ų | 15 | 62.6 Ų | 62.6 | 11% | 0.105 | 34% | 0.34 | C | S | . | . | trans | -83.7 | 137.1 | 174.2 | 71.2 | 0 | 0 | 0 | 0 | 111.8 | T274 L582 C584 | T274-S276 VanDerWaalsContact C-N 3.29Å; T274-S276 PolarHBondContact O-N 2.97Å; S276-L582 CarbonylContact O-C 3.58Å; S276-L582 VanDerWaalsContact O-C 3.27Å; S276-C584 PolarHBondContact OG-N 2.98Å; S276-C584 VanDerWaalsContact OG-N 3.13Å | ||
| 277 | I | 79.1 | Confident | 59.2 | Low | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 127.8 | 179 | -61.2 | 178 | 0 | 0 | 0 | 110.4 | F279 I291 C540 I541 L553 V557 F580 C584 | I277-F279 HydrophobicContact CB-CE2 4.34Å; I277-F279 HydrophobicContact CG2-CD2 4.36Å; I277-F279 HydrophobicContact CG2-CE1 4.35Å; I277-F279 HydrophobicContact CG2-CE2 3.89Å; I277-F279 HydrophobicContact CG2-CZ 3.9Å; I277-I291 HydrophobicContact CD1-CD1 3.49Å; I277-I291 VanDerWaalsContact CD1-CD1 3.49Å; I277-I291 HydrophobicContact CG2-CD1 4.44Å; I277-C540 CarbonylContact O-C 3.58Å; I277-C540 VanDerWaalsContact O-CA 3.31Å; I277-C540 WeakPolarHBondContact O-CA 3.39Å; I277-I541 PolarHBondContact N-O 2.96Å; I277-I541 PolarHBondContact O-N 2.96Å; I277-L553 HydrophobicContact CD1-CB 3.45Å; I277-L553 VanDerWaalsContact CD1-CB 3.45Å; I277-L553 WeakPolarHBondContact CD1-O 3.29Å; I277-L553 HydrophobicContact CG1-CB 4.31Å; I277-V557 HydrophobicContact CD1-CB 4.5Å; I277-V557 HydrophobicContact CD1-CG2 3.74Å; I277-F580 HydrophobicContact CG2-CD1 4.16Å; I277-C584 VanDerWaalsContact C-SG 3.59Å |
| 278 | S | 77.8 | Confident | 58.6 | Low | 5 Ų | 5 | 68 Ų | 68 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 133.1 | 168.4 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | Y337 G539 C540 P581 | S278-Y337 PolarHBondContact OG-OH 2.93Å; S278-G539 WeakPolarHBondContact CA-O 3.47Å; S278-C540 VanDerWaalsContact CA-SG 3.58Å; S278-P581 PolarHBondContact N-O 2.79Å; S278-P581 VanDerWaalsContact N-O 3.16Å |
| 279 | F | 76.5 | Confident | 58.6 | Low | 1 Ų | 1 | 64.9 Ų | 64.9 | 0% | 0.004 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 98.6 | 167.4 | -60.9 | -87.4 | 0 | 0 | 0 | 107.2 | I277 I291 S510 F537 Q538 G539 I541 F580 | I277-F279 HydrophobicContact CB-CE2 4.34Å; I277-F279 HydrophobicContact CG2-CD2 4.36Å; I277-F279 HydrophobicContact CG2-CE1 4.35Å; I277-F279 HydrophobicContact CG2-CE2 3.89Å; I277-F279 HydrophobicContact CG2-CZ 3.9Å; F279-I291 HydrophobicContact CE1-CD1 4.2Å; F279-I291 HydrophobicContact CE1-CG1 4.03Å; F279-I291 HydrophobicContact CZ-CD1 3.66Å; F279-I291 HydrophobicContact CZ-CG1 3.93Å; F279-S510 WeakPolarHBondContact CD1-OG 3.08Å; F279-S510 WeakPolarHBondContact CG-OG 3.46Å; F279-F537 WeakPolarHBondContact CB-O 2.99Å; F279-F537 HydrophobicContact CD2-CD1 4.38Å; F279-Q538 WeakPolarHBondContact O-CA 3.41Å; F279-G539 PolarHBondContact N-O 3.08Å; F279-G539 PolarHBondContact O-N 2.88Å; F279-I541 HydrophobicContact CD2-CG1 4.37Å; F279-I541 HydrophobicContact CE2-CB 4.21Å; F279-I541 HydrophobicContact CE2-CD1 3.77Å; F279-I541 HydrophobicContact CE2-CG1 3.89Å; F279-I541 HydrophobicContact CZ-CD1 4.45Å; F279-F580 HydrophobicContact CD1-CE1 4.41Å; F279-F580 HydrophobicContact CE1-CE1 4.26Å |
| 280 | N | 66.5 | Low | 59.1 | Low | 54 Ų | 54 | 65.2 Ų | 65.2 | 29% | 0.289 | 35% | 0.35 | S | S | . | . | trans | -129.6 | 131.1 | -175.9 | -166.4 | 1.5 | 0 | 0 | 0 | 110.8 | T282 Y337 | N280-T282 PolarHBondContact O-N 2.92Å; N280-Y337 HydrophobicContact CB-CE2 4.49Å | ||
| 281 | S | 53.9 | Low | 59.7 | Low | 55 Ų | 55 | 63.4 Ų | 63.4 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | trans | -95.3 | 56.4 | -171.8 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 282 | T | 45.4 | Very low | 60.4 | Low | 100 Ų | 100 | 57.5 Ų | 57.5 | 61% | 0.613 | 31% | 0.314 | S | S | * | . | trans | -85.5 | -19.1 | 179.6 | 46.3 | 0 | 0 | 0 | 0 | 114.2 | N280 | N280-T282 PolarHBondContact O-N 2.92Š| ||
| 283 | T | 40.7 | Very low | 61.2 | Low | 67 Ų | 67 | 53.9 Ų | 53.9 | 41% | 0.411 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -115.6 | 133.9 | 179.6 | 42.8 | 0 | 0 | 0 | 0 | 111.4 | L285 N286 | T283-L285 PolarHBondContact O-N 2.9Å; T283-N286 VanDerWaalsContact O-CB 3.28Å; T283-N286 WeakPolarHBondContact O-CB 3.44Å; T283-N286 VanDerWaalsContact O-CG 3.29Å; T283-N286 PolarHBondContact O-N 2.91Å; T283-N286 PolarHBondContact O-OD1 2.98Å; T283-N286 PolarHBondContact OG1-ND2 2.86Å; T283-N286 PolarHBondContact OG1-OD1 3.19Å |
| 284 | I | 36.2 | Very low | 62.1 | Low | 171 Ų | 171 | 48 Ų | 48 | 88% | 0.877 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -3.4 | -168.3 | -65.6 | 165 | 0 | 0 | 0 | 113.3 | ||
| 285 | L | 36.8 | Very low | 63 | Low | 120 Ų | 120 | 43.6 Ų | 43.6 | 63% | 0.628 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 9.8 | 179.1 | -65.3 | 166.4 | 0 | 0 | 0 | 113.6 | T283 E287 F578 | T283-L285 PolarHBondContact O-N 2.9Å; L285-E287 PolarHBondContact O-N 2.84Å; L285-F578 HydrophobicContact CB-CZ 4.13Å; L285-F578 HydrophobicContact CD1-CZ 4.32Å |
| 286 | N | 46.6 | Very low | 63.1 | Low | 18 Ų | 18 | 43.6 Ų | 43.6 | 10% | 0.096 | 24% | 0.238 | C | C | . | . | trans | -95.7 | 32 | -161.7 | -77.3 | 28.1 | 0 | 0 | 0 | 116.1 | T283 N288 M289 | T283-N286 VanDerWaalsContact O-CB 3.28Å; T283-N286 WeakPolarHBondContact O-CB 3.44Å; T283-N286 VanDerWaalsContact O-CG 3.29Å; T283-N286 PolarHBondContact O-N 2.91Å; T283-N286 PolarHBondContact O-OD1 2.98Å; T283-N286 PolarHBondContact OG1-ND2 2.86Å; T283-N286 PolarHBondContact OG1-OD1 3.19Å; N286-N288 PolarHBondContact O-N 3.06Å; N286-N288 VanDerWaalsContact O-N 3.13Å; N286-M289 HydrophobicContact CB-CG 3.69Å; N286-M289 WeakPolarHBondContact O-CG 2.99Å; N286-M289 PolarHBondContact O-N 2.85Å | ||
| 287 | E | 48.9 | Very low | 62.4 | Low | 126 Ų | 126 | 43.7 Ų | 43.7 | 59% | 0.589 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.1 | 175.8 | -61.1 | -164 | 148.8 | 0 | 0 | 113.3 | L285 | L285-E287 PolarHBondContact O-N 2.84Š|
| 288 | N | 57.2 | Low | 61.3 | Low | 74 Ų | 74 | 46.2 Ų | 46.2 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 26.7 | -175 | -75 | -76.7 | 0 | 0 | 0 | 114.8 | N286 F290 | N286-N288 PolarHBondContact O-N 3.06Å; N286-N288 VanDerWaalsContact O-N 3.13Å; N288-F290 VanDerWaalsContact C-N 3.25Å; N288-F290 HydrophobicContact CB-CE1 4.25Å; N288-F290 WeakPolarHBondContact O-CD1 3.11Å; N288-F290 PolarHBondContact O-N 3.06Å |
| 289 | M | 66.5 | Low | 60.1 | Low | 15 Ų | 15 | 49.1 Ų | 49.1 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | trans | -75.3 | 64.9 | 177.5 | -75.6 | -76.3 | -80.5 | 0 | 0 | 113.5 | N286 S510 F580 | N286-M289 HydrophobicContact CB-CG 3.69Å; N286-M289 WeakPolarHBondContact O-CG 2.99Å; N286-M289 PolarHBondContact O-N 2.85Å; M289-S510 PolarHBondContact O-OG 3.37Å; M289-S510 VanDerWaalsContact O-OG 3.05Å; M289-F580 HydrophobicContact CE-CD1 4.26Å; M289-F580 HydrophobicContact CE-CE1 4.05Å; M289-F580 HydrophobicContact SD-CD1 4.24Å; M289-F580 HydrophobicContact SD-CE1 3.63Å; M289-F580 HydrophobicContact SD-CE2 4.45Å; M289-F580 HydrophobicContact SD-CZ 3.76Å | ||
| 290 | F | 76.2 | Confident | 59.3 | Low | 13 Ų | 13 | 49.2 Ų | 49.2 | 6% | 0.057 | 26% | 0.264 | C | S | . | . | trans | -133.5 | 155.7 | 175 | 71.3 | -86.9 | 0 | 0 | 0 | 112.3 | N288 T292 Y508 L509 G511 M512 N513 R560 | N288-F290 VanDerWaalsContact C-N 3.25Å; N288-F290 HydrophobicContact CB-CE1 4.25Å; N288-F290 WeakPolarHBondContact O-CD1 3.11Å; N288-F290 PolarHBondContact O-N 3.06Å; F290-T292 WeakPolarHBondContact CE2-OG1 2.81Å; F290-Y508 HydrophobicContact CD2-CD1 4.4Å; F290-L509 WeakPolarHBondContact CA-O 3.31Å; F290-G511 WeakPolarHBondContact CB-O 3.34Å; F290-M512 VanDerWaalsContact CD1-C 3.44Å; F290-M512 WeakPolarHBondContact CD1-O 3.43Å; F290-N513 HydrophobicContact CE1-CB 3.94Å; F290-N513 HydrophobicContact CZ-CB 3.73Å; F290-R560 VanDerWaalsContact CE1-NH2 3.31Å; F290-R560 VanDerWaalsContact CE2-NH1 3.34Å; F290-R560 PolarHBondContact O-NH2 2.73Å | ||
| 291 | I | 78.3 | Confident | 58.8 | Low | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 142 | 170 | -50 | 174.7 | 0 | 0 | 0 | 107.9 | I277 F279 L293 Y508 L509 V557 | I277-I291 HydrophobicContact CD1-CD1 3.49Å; I277-I291 VanDerWaalsContact CD1-CD1 3.49Å; I277-I291 HydrophobicContact CG2-CD1 4.44Å; F279-I291 HydrophobicContact CE1-CD1 4.2Å; F279-I291 HydrophobicContact CE1-CG1 4.03Å; F279-I291 HydrophobicContact CZ-CD1 3.66Å; F279-I291 HydrophobicContact CZ-CG1 3.93Å; I291-L293 HydrophobicContact CG2-CD1 4.41Å; I291-L293 HydrophobicContact CG2-CD2 3.9Å; I291-L293 HydrophobicContact CG2-CG 3.93Å; I291-Y508 CarbonylContact O-C 3.48Å; I291-Y508 WeakPolarHBondContact O-CA 3.3Å; I291-L509 HydrophobicContact CB-CB 4.33Å; I291-L509 PolarHBondContact N-O 3.42Å; I291-L509 PolarHBondContact O-N 2.85Å; I291-V557 HydrophobicContact CD1-CG2 3.59Å; I291-V557 HydrophobicContact CG1-CG2 3.93Å |
| 292 | T | 77.9 | Confident | 58.9 | Low | 27 Ų | 27 | 47 Ų | 47 | 17% | 0.166 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131.4 | 170.7 | -59.3 | 0 | 0 | 0 | 0 | 107.5 | F290 T506 L507 Y508 | F290-T292 WeakPolarHBondContact CE2-OG1 2.81Å; T292-T506 HydrophobicContact CG2-CG2 3.46Å; T292-T506 VanDerWaalsContact CG2-CG2 3.46Å; T292-L507 WeakPolarHBondContact CA-O 3.41Å; T292-Y508 HydrophobicContact CG2-CD1 4.17Å; T292-Y508 HydrophobicContact CG2-CE1 3.82Å; T292-Y508 VanDerWaalsContact OG1-CD1 3.24Å; T292-Y508 WeakPolarHBondContact OG1-CD1 3.01Å; T292-Y508 VanDerWaalsContact OG1-CE1 3.22Å; T292-Y508 WeakPolarHBondContact OG1-CE1 3.49Å |
| 293 | L | 77 | Confident | 59.4 | Low | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 140.5 | -179.3 | -59.3 | 170.1 | 0 | 0 | 0 | 109 | Q129 I291 L507 L509 L551 L553 A556 | Q129-L293 HydrophobicContact CG-CD2 4.23Å; I291-L293 HydrophobicContact CG2-CD1 4.41Å; I291-L293 HydrophobicContact CG2-CD2 3.9Å; I291-L293 HydrophobicContact CG2-CG 3.93Å; L293-L507 PolarHBondContact N-O 2.87Å; L293-L507 PolarHBondContact O-N 3.43Å; L293-L509 HydrophobicContact CD1-CD1 3.94Å; L293-L551 HydrophobicContact CD1-CD1 3.73Å; L293-L553 HydrophobicContact CD1-CD2 3.55Å; L293-A556 HydrophobicContact CD2-CB 3.62Å |
| 294 | K | 73.5 | Confident | 60.1 | Low | 35 Ų | 35 | 40 Ų | 40 | 15% | 0.152 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 134.4 | 168.3 | -65.3 | -68.9 | 176.8 | 177.5 | 0 | 109 | D147 D351 T506 | D147-K294 HydrophobicContact CB-CG 4.47Å; K294-D351 IonicContact NZ-OD2 3.99Å; K294-D351 PolarHBondContact NZ-OD2 2.95Å; K294-T506 PolarHBondContact NZ-OG1 2.87Å |
| 295 | L | 71.8 | Confident | 61 | Low | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 144.4 | 172.7 | -67 | -168.8 | 0 | 0 | 0 | 110.3 | L348 R505 L507 I546 | L295-L348 HydrophobicContact CD1-CD1 3.62Å; L295-L348 HydrophobicContact CD1-CD2 4.26Å; L295-L348 HydrophobicContact CG-CD1 4.11Å; L295-R505 PolarHBondContact N-O 3.11Å; L295-R505 PolarHBondContact O-NH2 3.34Å; L295-L507 HydrophobicContact CD2-CB 4.39Å; L295-I546 HydrophobicContact CD2-CD1 3.64Å; L295-I546 HydrophobicContact CD2-CG1 3.88Å |
| 296 | P | 64.4 | Low | 61.8 | Low | 8 Ų | 8 | 31.3 Ų | 31.3 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -57.3 | 158.7 | 179.2 | 23.9 | -34.3 | 0 | 0 | 0 | 112.4 | W130 L300 L549 | W130-P296 HydrophobicContact CB-CB 4.23Å; P296-L300 HydrophobicContact CB-CB 4.32Å; P296-L300 HydrophobicContact CB-CD2 3.56Å; P296-L300 HydrophobicContact CG-CD2 4.31Å; P296-L549 HydrophobicContact CG-CD2 4.39Å |
| 297 | T | 58.9 | Low | 62.1 | Low | 16 Ų | 16 | 30.8 Ų | 30.8 | 10% | 0.098 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 160 | 179.6 | 46.9 | 0 | 0 | 0 | 0 | 112.9 | E40 L299 L300 L301 | E40-T297 VanDerWaalsContact CD-OG1 3.26Å; E40-T297 WeakPolarHBondContact OE1-CB 3.43Å; E40-T297 WeakPolarHBondContact OE1-CG2 3.34Å; E40-T297 PolarHBondContact OE1-OG1 3.13Å; T297-L299 VanDerWaalsContact C-N 3.28Å; T297-L299 PolarHBondContact O-N 2.76Å; T297-L300 PolarHBondContact O-N 3.38Å; T297-L301 PolarHBondContact O-N 3.04Å; T297-L301 VanDerWaalsContact O-N 3.08Å |
| 298 | F | 55.1 | Low | 62.1 | Low | 54 Ų | 54 | 27.4 Ų | 27.4 | 24% | 0.237 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -52.9 | -44.8 | 176 | 170.6 | -138.8 | 0 | 0 | 0 | 112.4 | L300 L301 D302 W497 W502 | F298-L300 VanDerWaalsContact C-N 3.33Å; F298-L300 PolarHBondContact O-N 2.86Å; F298-L301 WeakPolarHBondContact O-CA 3.03Å; F298-L301 WeakPolarHBondContact O-CB 3.49Å; F298-L301 PolarHBondContact O-N 3.4Å; F298-D302 HydrophobicContact CE2-CB 4.4Å; F298-D302 VanDerWaalsContact CE2-OD1 3.26Å; F298-D302 WeakPolarHBondContact CE2-OD1 3.39Å; F298-D302 WeakPolarHBondContact CE2-OD2 3.38Å; F298-D302 VanDerWaalsContact CZ-OD2 3.28Å; F298-D302 WeakPolarHBondContact CZ-OD2 3.05Å; F298-D302 PolarHBondContact O-N 2.83Å; F298-W497 HydrophobicContact CD1-CB 4.42Å; F298-W497 AromaticContact CD2-CE3 3.75Å; F298-W497 HydrophobicContact CD2-CE3 3.75Å; F298-W497 HydrophobicContact CD2-CZ3 4.33Å; F298-W497 HydrophobicContact CE1-CB 4.01Å; F298-W497 HydrophobicContact CE2-CB 4.42Å; F298-W497 HydrophobicContact CE2-CD2 4.37Å; F298-W497 AromaticContact CE2-CE3 3.44Å; F298-W497 HydrophobicContact CE2-CE3 3.44Å; F298-W497 VanDerWaalsContact CE2-CE3 3.44Å; F298-W497 HydrophobicContact CE2-CZ3 4.06Å; F298-W497 HydrophobicContact CZ-CB 4.02Å; F298-W497 HydrophobicContact CZ-CE3 4.11Å; F298-W502 HydrophobicContact CB-CH2 4.32Å; F298-W502 HydrophobicContact CB-CZ2 4.18Å; F298-W502 HydrophobicContact CD2-CZ2 4.01Å |
| 299 | L | 53.6 | Low | 61.9 | Low | 65 Ų | 65 | 29.9 Ų | 29.9 | 34% | 0.34 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.9 | -38.5 | -177.3 | -161.1 | 132.1 | 0 | 0 | 0 | 112.5 | K203 T297 L303 | K203-L299 HydrophobicContact CD-CD1 4.37Å; K203-L299 HydrophobicContact CD-CD2 4.46Å; T297-L299 VanDerWaalsContact C-N 3.28Å; T297-L299 PolarHBondContact O-N 2.76Å; L299-L303 HydrophobicContact CD2-CD1 4.19Å; L299-L303 WeakPolarHBondContact O-CB 3.26Å; L299-L303 PolarHBondContact O-N 2.77Å; L299-L303 VanDerWaalsContact O-N 3.17Å |
| 300 | L | 58.7 | Low | 61.3 | Low | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.4 | -36.3 | 171.5 | -163.5 | 81.7 | 0 | 0 | 0 | 111.8 | I12 W130 P296 T297 F298 L303 L304 | I12-L300 HydrophobicContact CD1-CD1 4.46Å; W130-L300 HydrophobicContact CB-CD2 4.36Å; W130-L300 HydrophobicContact CD2-CD1 4.35Å; W130-L300 HydrophobicContact CD2-CD2 3.88Å; W130-L300 HydrophobicContact CG-CD2 3.68Å; W130-L300 HydrophobicContact CH2-CD1 4.48Å; W130-L300 HydrophobicContact CZ2-CD1 4.27Å; P296-L300 HydrophobicContact CB-CB 4.32Å; P296-L300 HydrophobicContact CB-CD2 3.56Å; P296-L300 HydrophobicContact CG-CD2 4.31Å; T297-L300 PolarHBondContact O-N 3.38Å; F298-L300 VanDerWaalsContact C-N 3.33Å; F298-L300 PolarHBondContact O-N 2.86Å; L300-L303 WeakPolarHBondContact O-CB 3.32Å; L300-L303 PolarHBondContact O-N 2.86Å; L300-L304 HydrophobicContact CD2-CD1 4.31Å; L300-L304 HydrophobicContact CG-CD1 4.29Å; L300-L304 WeakPolarHBondContact O-CB 3.29Å; L300-L304 WeakPolarHBondContact O-CG 3.35Å; L300-L304 PolarHBondContact O-N 3.02Å |
| 301 | L | 57.5 | Low | 60 | Low | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67 | -40.5 | 178.8 | -158.7 | 86.5 | 0 | 0 | 0 | 112.3 | T297 F298 L304 Q305 I328 W502 I546 N547 | T297-L301 PolarHBondContact O-N 3.04Å; T297-L301 VanDerWaalsContact O-N 3.08Å; F298-L301 WeakPolarHBondContact O-CA 3.03Å; F298-L301 WeakPolarHBondContact O-CB 3.49Å; F298-L301 PolarHBondContact O-N 3.4Å; L301-L304 CarbonylContact O-C 3.57Å; L301-L304 WeakPolarHBondContact O-CB 3.22Å; L301-L304 PolarHBondContact O-N 3.25Å; L301-Q305 WeakPolarHBondContact O-CB 3.44Å; L301-Q305 VanDerWaalsContact O-CG 3.31Å; L301-Q305 WeakPolarHBondContact O-CG 3.39Å; L301-Q305 PolarHBondContact O-N 2.9Å; L301-I328 HydrophobicContact CD2-CD1 4.06Å; L301-I328 HydrophobicContact CD2-CG1 4Å; L301-W502 HydrophobicContact CB-CH2 3.65Å; L301-W502 HydrophobicContact CB-CZ2 4.19Å; L301-W502 HydrophobicContact CD1-CH2 4.43Å; L301-W502 HydrophobicContact CD2-CH2 3.46Å; L301-W502 VanDerWaalsContact CD2-CH2 3.46Å; L301-W502 HydrophobicContact CD2-CZ2 3.48Å; L301-W502 VanDerWaalsContact CD2-CZ2 3.48Å; L301-W502 HydrophobicContact CD2-CZ3 4.2Å; L301-W502 HydrophobicContact CG-CH2 4.01Å; L301-W502 HydrophobicContact CG-CZ2 4.41Å; L301-I546 HydrophobicContact CD1-CG2 4.2Å; L301-N547 HydrophobicContact CD1-CB 4.15Å; L301-N547 WeakPolarHBondContact CD1-ND2 3.43Å; L301-N547 WeakPolarHBondContact CG-ND2 3.4Å |
| 302 | D | 55.6 | Low | 58.5 | Low | 63 Ų | 63 | 39.9 Ų | 39.9 | 34% | 0.337 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 171.9 | -97.7 | 2.6 | 0 | 0 | 0 | 111.1 | F298 L304 Q305 N306 | F298-D302 HydrophobicContact CE2-CB 4.4Å; F298-D302 VanDerWaalsContact CE2-OD1 3.26Å; F298-D302 WeakPolarHBondContact CE2-OD1 3.39Å; F298-D302 WeakPolarHBondContact CE2-OD2 3.38Å; F298-D302 VanDerWaalsContact CZ-OD2 3.28Å; F298-D302 WeakPolarHBondContact CZ-OD2 3.05Å; F298-D302 PolarHBondContact O-N 2.83Å; D302-L304 VanDerWaalsContact C-N 3.32Å; D302-L304 PolarHBondContact O-N 2.88Å; D302-Q305 PolarHBondContact O-N 2.96Å; D302-N306 WeakPolarHBondContact O-CB 3.24Å; D302-N306 PolarHBondContact O-N 2.87Å; D302-N306 PolarHBondContact O-ND2 2.85Å |
| 303 | L | 55.2 | Low | 57 | Low | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.068 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.1 | -44.8 | 172.8 | -113.5 | 151.3 | 0 | 0 | 0 | 111.8 | L10 I262 L299 L300 S307 | L10-L303 HydrophobicContact CB-CD1 4.25Å; L10-L303 HydrophobicContact CB-CD2 3.74Å; L10-L303 HydrophobicContact CB-CG 4.16Å; L10-L303 HydrophobicContact CD1-CG 4.33Å; I262-L303 HydrophobicContact CB-CD2 4Å; I262-L303 HydrophobicContact CD1-CB 3.75Å; I262-L303 HydrophobicContact CD1-CD2 3.82Å; I262-L303 HydrophobicContact CD1-CG 4.39Å; I262-L303 HydrophobicContact CG2-CD2 3.84Å; L299-L303 HydrophobicContact CD2-CD1 4.19Å; L299-L303 WeakPolarHBondContact O-CB 3.26Å; L299-L303 PolarHBondContact O-N 2.77Å; L299-L303 VanDerWaalsContact O-N 3.17Å; L300-L303 WeakPolarHBondContact O-CB 3.32Å; L300-L303 PolarHBondContact O-N 2.86Å; L303-S307 WeakPolarHBondContact O-CB 3.46Å; L303-S307 PolarHBondContact O-N 2.92Å; L303-S307 VanDerWaalsContact O-N 3.14Å |
| 304 | L | 55.9 | Low | 55.3 | Low | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 175.9 | -70.1 | 166 | 0 | 0 | 0 | 112.2 | I262 I266 L300 L301 D302 S307 L549 | I262-L304 HydrophobicContact CD1-CD2 3.69Å; I262-L304 HydrophobicContact CD1-CG 3.9Å; I262-L304 HydrophobicContact CG1-CD2 4.21Å; I266-L304 HydrophobicContact CD1-CD2 3.65Å; I266-L304 HydrophobicContact CG1-CD2 3.66Å; L300-L304 HydrophobicContact CD2-CD1 4.31Å; L300-L304 HydrophobicContact CG-CD1 4.29Å; L300-L304 WeakPolarHBondContact O-CB 3.29Å; L300-L304 WeakPolarHBondContact O-CG 3.35Å; L300-L304 PolarHBondContact O-N 3.02Å; L301-L304 CarbonylContact O-C 3.57Å; L301-L304 WeakPolarHBondContact O-CB 3.22Å; L301-L304 PolarHBondContact O-N 3.25Å; D302-L304 VanDerWaalsContact C-N 3.32Å; D302-L304 PolarHBondContact O-N 2.88Å; L304-S307 WeakPolarHBondContact O-CB 3.42Å; L304-S307 PolarHBondContact O-N 2.99Å; L304-S307 PolarHBondContact O-OG 3.34Å; L304-L549 HydrophobicContact CD1-CB 4.01Å; L304-L549 HydrophobicContact CD1-CD2 4.11Å; L304-L549 HydrophobicContact CD1-CG 4.49Å; L304-L549 HydrophobicContact CD2-CB 4.3Å; L304-L549 HydrophobicContact CD2-CD1 4.25Å |
| 305 | Q | 54.5 | Low | 53.8 | Low | 9 Ų | 9 | 55.8 Ų | 55.8 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72.2 | -41.1 | -179 | -77.1 | 178.7 | -52.4 | 0 | 0 | 112 | L301 D302 S307 M308 L325 W327 N547 | L301-Q305 WeakPolarHBondContact O-CB 3.44Å; L301-Q305 VanDerWaalsContact O-CG 3.31Å; L301-Q305 WeakPolarHBondContact O-CG 3.39Å; L301-Q305 PolarHBondContact O-N 2.9Å; D302-Q305 PolarHBondContact O-N 2.96Å; Q305-S307 PolarHBondContact O-N 3.28Å; Q305-M308 VanDerWaalsContact O-CB 3.31Å; Q305-M308 WeakPolarHBondContact O-CB 3.23Å; Q305-M308 WeakPolarHBondContact O-CG 3.22Å; Q305-M308 PolarHBondContact O-N 3.28Å; Q305-L325 HydrophobicContact CB-CD2 3.75Å; Q305-L325 PolarHBondContact NE2-O 2.85Å; Q305-L325 WeakPolarHBondContact O-CD2 3.45Å; Q305-L325 PolarHBondContact OE1-O 2.9Å; Q305-W327 PolarHBondContact NE2-O 2.9Å; Q305-W327 VanDerWaalsContact NE2-O 3.12Å; Q305-N547 VanDerWaalsContact CD-ND2 3.33Å; Q305-N547 VanDerWaalsContact CG-ND2 3.25Å; Q305-N547 WeakPolarHBondContact CG-ND2 3.37Å; Q305-N547 PolarHBondContact NE2-ND2 2.84Å |
| 306 | N | 53.9 | Low | 52.6 | Low | 99 Ų | 99 | 63.2 Ų | 63.2 | 53% | 0.529 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.8 | -31.1 | 170.5 | -70.6 | -49.8 | 0 | 0 | 0 | 111.8 | D302 M308 | D302-N306 WeakPolarHBondContact O-CB 3.24Å; D302-N306 PolarHBondContact O-N 2.87Å; D302-N306 PolarHBondContact O-ND2 2.85Å; N306-M308 PolarHBondContact O-N 3.18Å |
| 307 | S | 53.8 | Low | 51.7 | Low | 8 Ų | 8 | 67.9 Ų | 67.9 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -70.5 | -4 | 176.2 | 84 | 0 | 0 | 0 | 0 | 115.5 | I266 L303 L304 Q305 E309 C310 | I266-S307 WeakPolarHBondContact CD1-OG 3.43Å; L303-S307 WeakPolarHBondContact O-CB 3.46Å; L303-S307 PolarHBondContact O-N 2.92Å; L303-S307 VanDerWaalsContact O-N 3.14Å; L304-S307 WeakPolarHBondContact O-CB 3.42Å; L304-S307 PolarHBondContact O-N 2.99Å; L304-S307 PolarHBondContact O-OG 3.34Å; Q305-S307 PolarHBondContact O-N 3.28Å; S307-E309 PolarHBondContact O-N 2.86Å; S307-E309 VanDerWaalsContact O-N 3.11Å; S307-C310 VanDerWaalsContact O-CB 3.29Å; S307-C310 WeakPolarHBondContact O-CB 3.04Å; S307-C310 PolarHBondContact O-N 2.74Å |
| 308 | M | 49.2 | Very low | 51 | Low | 55 Ų | 55 | 71.8 Ų | 71.8 | 27% | 0.271 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -57.7 | -23.5 | 176.4 | -82.5 | -73.8 | -63.1 | 0 | 0 | 113.5 | Q305 N306 C310 I311 Q312 | Q305-M308 VanDerWaalsContact O-CB 3.31Å; Q305-M308 WeakPolarHBondContact O-CB 3.23Å; Q305-M308 WeakPolarHBondContact O-CG 3.22Å; Q305-M308 PolarHBondContact O-N 3.28Å; N306-M308 PolarHBondContact O-N 3.18Å; M308-C310 PolarHBondContact O-N 2.94Å; M308-I311 PolarHBondContact O-N 3.15Å; M308-I311 HydrophobicContact SD-CD1 4.13Å; M308-Q312 PolarHBondContact O-N 2.83Å |
| 309 | E | 51.6 | Low | 50.6 | Low | 126 Ų | 126 | 75.1 Ų | 75.1 | 59% | 0.589 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -56.6 | -34.9 | 170.8 | -63.5 | -167.1 | 147.6 | 0 | 0 | 112.4 | S307 I311 Q312 Q313 L321 | S307-E309 PolarHBondContact O-N 2.86Å; S307-E309 VanDerWaalsContact O-N 3.11Å; E309-I311 PolarHBondContact O-N 2.82Å; E309-Q312 CarbonylContact O-C 3.39Å; E309-Q312 PolarHBondContact O-N 2.83Å; E309-Q312 VanDerWaalsContact O-N 3.16Å; E309-Q313 PolarHBondContact O-N 2.89Å; E309-L321 HydrophobicContact CG-CD2 3.86Å |
| 310 | C | 53.9 | Low | 50.2 | Low | 61 Ų | 61 | 76.7 Ų | 76.7 | 41% | 0.412 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -72.3 | -13 | 176 | -63.7 | 0 | 0 | 0 | 0 | 113.9 | C263 S307 M308 | C263-C310 HydrophobicContact CB-CB 3.45Å; C263-C310 VanDerWaalsContact CB-CB 3.45Å; C263-C310 WeakPolarHBondContact CB-SG 3.49Å; C263-C310 WeakPolarHBondContact SG-CB 3.41Å; C263-C310 CovalentContact SG-SG 2.02Å; C263-C310 PolarHBondContact SG-SG 2.85Å; S307-C310 VanDerWaalsContact O-CB 3.29Å; S307-C310 WeakPolarHBondContact O-CB 3.04Å; S307-C310 PolarHBondContact O-N 2.74Å; M308-C310 PolarHBondContact O-N 2.94Å |
| 311 | I | 49.1 | Very low | 49.3 | Very low | 100 Ų | 100 | 78.5 Ų | 78.5 | 51% | 0.513 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -21 | 171.7 | -59.9 | -179.5 | 0 | 0 | 0 | 110.5 | M308 E309 | M308-I311 PolarHBondContact O-N 3.15Å; M308-I311 HydrophobicContact SD-CD1 4.13Å; E309-I311 PolarHBondContact O-N 2.82Å |
| 312 | Q | 46.2 | Very low | 48.6 | Very low | 83 Ų | 83 | 83.1 Ų | 83.1 | 39% | 0.388 | 44% | 0.442 | S | S | . | . | trans | -129.1 | 51.1 | -173.4 | -60.8 | -160 | -91.5 | 0 | 0 | 114.9 | M308 E309 N314 | M308-Q312 PolarHBondContact O-N 2.83Å; E309-Q312 CarbonylContact O-C 3.39Å; E309-Q312 PolarHBondContact O-N 2.83Å; E309-Q312 VanDerWaalsContact O-N 3.16Å; Q312-N314 PolarHBondContact O-N 2.87Å | ||
| 313 | Q | 47.8 | Very low | 48.1 | Very low | 174 Ų | 174 | 83 Ų | 83 | 81% | 0.813 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 8.8 | 166.9 | -68.5 | -169.5 | -21.2 | 0 | 0 | 114.8 | E309 | E309-Q313 PolarHBondContact O-N 2.89Š|
| 314 | N | 41.2 | Very low | 47.6 | Very low | 163 Ų | 163 | 85 Ų | 85 | 87% | 0.872 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | 15.4 | -172.7 | -80.9 | -29.3 | 0 | 0 | 0 | 114.4 | Q312 | Q312-N314 PolarHBondContact O-N 2.87Š|
| 315 | S | 41.1 | Very low | 47.3 | Very low | 60 Ų | 60 | 87.2 Ų | 87.2 | 42% | 0.42 | 47% | 0.466 | S | S | . | . | trans | -129.8 | 110.4 | 179 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | D317 | S315-D317 PolarHBondContact O-N 3.08Å; S315-D317 VanDerWaalsContact O-N 3.08Å | ||
| 316 | N | 46.5 | Very low | 47.6 | Very low | 161 Ų | 161 | 88.3 Ų | 88.3 | 86% | 0.861 | 47% | 0.47 | S | S | * | . | trans | -76.8 | 14.5 | -170.8 | -67.2 | -12.2 | 0 | 0 | 0 | 116.1 | P318 | N316-P318 VanDerWaalsContact O-CD 3.28Å; N316-P318 WeakPolarHBondContact O-CD 3.4Å | ||
| 317 | D | 46.6 | Very low | 48.3 | Very low | 105 Ų | 105 | 84.4 Ų | 84.4 | 56% | 0.561 | 45% | 0.448 | S | S | * | . | trans | -113.4 | 87.1 | -174.2 | -93.6 | -48.3 | 0 | 0 | 0 | 112.7 | S315 I319 N320 | S315-D317 PolarHBondContact O-N 3.08Å; S315-D317 VanDerWaalsContact O-N 3.08Å; D317-I319 PolarHBondContact O-N 3.43Å; D317-I319 VanDerWaalsContact O-N 3.13Å; D317-N320 PolarHBondContact O-N 3.5Å | ||
| 318 | P | 44.6 | Very low | 49.3 | Very low | 98 Ų | 98 | 84.2 Ų | 84.2 | 64% | 0.636 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.2 | -19.8 | -179.5 | 26 | -34.9 | 0 | 0 | 0 | 113.3 | N316 N320 L321 | N316-P318 VanDerWaalsContact O-CD 3.28Å; N316-P318 WeakPolarHBondContact O-CD 3.4Å; P318-N320 VanDerWaalsContact C-N 3.3Å; P318-N320 PolarHBondContact O-N 3.44Å; P318-L321 WeakPolarHBondContact O-CB 3.48Å; P318-L321 PolarHBondContact O-N 3.01Å |
| 319 | I | 45.7 | Very low | 50.7 | Low | 124 Ų | 124 | 83.4 Ų | 83.4 | 64% | 0.636 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -69 | -27.9 | 178.7 | -63.3 | 176.4 | 0 | 0 | 0 | 111.9 | D317 | D317-I319 PolarHBondContact O-N 3.43Å; D317-I319 VanDerWaalsContact O-N 3.13Å |
| 320 | N | 46.2 | Very low | 52.3 | Low | 98 Ų | 98 | 77.7 Ų | 77.7 | 52% | 0.524 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -76 | -28.5 | 175.8 | -86.9 | -36.2 | 0 | 0 | 0 | 112.8 | D317 P318 I322 N323 T324 | D317-N320 PolarHBondContact O-N 3.5Å; P318-N320 VanDerWaalsContact C-N 3.3Å; P318-N320 PolarHBondContact O-N 3.44Å; N320-I322 VanDerWaalsContact C-N 3.34Å; N320-I322 PolarHBondContact O-N 3.37Å; N320-N323 PolarHBondContact O-N 2.75Å; N320-N323 VanDerWaalsContact O-N 3.09Å; N320-T324 PolarHBondContact O-N 2.97Å |
| 321 | L | 38.9 | Very low | 53.9 | Low | 42 Ų | 42 | 76 Ų | 76 | 22% | 0.22 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | -179.1 | -146.6 | 77.5 | 0 | 0 | 0 | 111.5 | E309 P318 N323 T324 L325 | E309-L321 HydrophobicContact CG-CD2 3.86Å; P318-L321 WeakPolarHBondContact O-CB 3.48Å; P318-L321 PolarHBondContact O-N 3.01Å; L321-N323 PolarHBondContact O-N 2.88Å; L321-N323 VanDerWaalsContact O-N 3.13Å; L321-T324 PolarHBondContact O-N 2.9Å; L321-T324 PolarHBondContact O-OG1 2.73Å; L321-L325 WeakPolarHBondContact O-CG 3.27Å; L321-L325 PolarHBondContact O-N 2.84Å |
| 322 | I | 43.4 | Very low | 55.8 | Low | 98 Ų | 98 | 71.2 Ų | 71.2 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.9 | -24.2 | 179 | -60.3 | 174.7 | 0 | 0 | 0 | 112.4 | N320 | N320-I322 VanDerWaalsContact C-N 3.34Å; N320-I322 PolarHBondContact O-N 3.37Å |
| 323 | N | 44.9 | Very low | 57.9 | Low | 59 Ų | 59 | 69.2 Ų | 69.2 | 32% | 0.316 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -84.9 | -24.6 | 176.6 | -66.8 | -28.7 | 0 | 0 | 0 | 113.1 | N320 L321 | N320-N323 PolarHBondContact O-N 2.75Å; N320-N323 VanDerWaalsContact O-N 3.09Å; L321-N323 PolarHBondContact O-N 2.88Å; L321-N323 VanDerWaalsContact O-N 3.13Å |
| 324 | T | 45.7 | Very low | 59.7 | Low | 57 Ų | 57 | 60.9 Ų | 60.9 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -80.6 | -32.1 | 177.2 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | N320 L321 K326 W327 | N320-T324 PolarHBondContact O-N 2.97Å; L321-T324 PolarHBondContact O-N 2.9Å; L321-T324 PolarHBondContact O-OG1 2.73Å; T324-K326 PolarHBondContact O-N 3.03Å; T324-K326 VanDerWaalsContact O-N 3.08Å; T324-W327 PolarHBondContact O-N 3.05Å |
| 325 | L | 48.6 | Very low | 61.7 | Low | 51 Ų | 51 | 54 Ų | 54 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -25.3 | 176.1 | -66.5 | 175.6 | 0 | 0 | 0 | 114 | Q305 L321 W327 | Q305-L325 HydrophobicContact CB-CD2 3.75Å; Q305-L325 PolarHBondContact NE2-O 2.85Å; Q305-L325 WeakPolarHBondContact O-CD2 3.45Å; Q305-L325 PolarHBondContact OE1-O 2.9Å; L321-L325 WeakPolarHBondContact O-CG 3.27Å; L321-L325 PolarHBondContact O-N 2.84Å; L325-W327 PolarHBondContact O-N 2.85Å |
| 326 | K | 60.5 | Low | 63.4 | Low | 32 Ų | 32 | 53.3 Ų | 53.3 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -2.9 | -177.2 | -61.1 | -154 | 173.7 | -155.6 | 0 | 115.1 | T324 T424 M483 L486 N490 | T324-K326 PolarHBondContact O-N 3.03Å; T324-K326 VanDerWaalsContact O-N 3.08Å; K326-T424 WeakPolarHBondContact O-CB 3.42Å; K326-T424 PolarHBondContact O-OG1 3.34Å; K326-M483 HydrophobicContact CB-CE 4.27Å; K326-L486 HydrophobicContact CD-CB 4.49Å; K326-L486 HydrophobicContact CD-CD1 3.97Å; K326-L486 PolarHBondContact NZ-O 2.88Å; K326-N490 PolarHBondContact NZ-OD1 2.87Å |
| 327 | W | 70 | Confident | 64.4 | Low | 17 Ų | 17 | 47.6 Ų | 47.6 | 6% | 0.064 | 25% | 0.25 | C | C | . | . | trans | -112.8 | 133.5 | -173.8 | -67.6 | 87.4 | 0 | 0 | 0 | 113.7 | Q305 T324 L325 N329 K422 Y423 T424 L442 K444 M483 N547 | Q305-W327 PolarHBondContact NE2-O 2.9Å; Q305-W327 VanDerWaalsContact NE2-O 3.12Å; T324-W327 PolarHBondContact O-N 3.05Å; L325-W327 PolarHBondContact O-N 2.85Å; W327-N329 PolarHBondContact O-ND2 3.48Å; W327-K422 HydrophobicContact CD2-CB 4.41Å; W327-K422 HydrophobicContact CE3-CB 3.67Å; W327-K422 HydrophobicContact CZ3-CB 4.19Å; W327-Y423 VanDerWaalsContact CE3-C 3.49Å; W327-T424 HydrophobicContact CD2-CG2 4.09Å; W327-T424 HydrophobicContact CE3-CG2 4.08Å; W327-T424 HydrophobicContact CH2-CG2 4.09Å; W327-T424 HydrophobicContact CZ2-CG2 4.08Å; W327-T424 HydrophobicContact CZ3-CG2 4.07Å; W327-L442 HydrophobicContact CH2-CB 4.46Å; W327-L442 HydrophobicContact CH2-CD2 3.78Å; W327-L442 HydrophobicContact CH2-CG 3.84Å; W327-L442 HydrophobicContact CZ2-CD2 3.87Å; W327-L442 HydrophobicContact CZ2-CG 4.44Å; W327-L442 VanDerWaalsContact CZ3-O 3.32Å; W327-L442 WeakPolarHBondContact CZ3-O 3.07Å; W327-K444 HydrophobicContact CE3-CG 4.38Å; W327-K444 HydrophobicContact CH2-CD 4.19Å; W327-K444 VanDerWaalsContact CH2-CE 3.49Å; W327-K444 HydrophobicContact CH2-CG 3.57Å; W327-K444 HydrophobicContact CZ2-CD 4.5Å; W327-K444 HydrophobicContact CZ2-CG 4.34Å; W327-K444 HydrophobicContact CZ3-CD 4.49Å; W327-K444 HydrophobicContact CZ3-CG 3.6Å; W327-M483 HydrophobicContact CZ2-CG 4.48Å; W327-M483 HydrophobicContact CZ2-SD 3.91Å; W327-N547 PolarHBondContact O-OD1 2.73Å | ||
| 328 | I | 74.8 | Confident | 64.9 | Low | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118.8 | 169.4 | -56.8 | -174.6 | 0 | 0 | 0 | 108.5 | L301 K422 Y423 W502 I546 | L301-I328 HydrophobicContact CD2-CD1 4.06Å; L301-I328 HydrophobicContact CD2-CG1 4Å; I328-K422 CarbonylContact O-C 3.53Å; I328-K422 VanDerWaalsContact O-CA 3.27Å; I328-K422 WeakPolarHBondContact O-CA 3.36Å; I328-Y423 HydrophobicContact CB-CD1 4.28Å; I328-Y423 HydrophobicContact CB-CD2 4.37Å; I328-Y423 HydrophobicContact CB-CE1 3.97Å; I328-Y423 HydrophobicContact CB-CE2 4.07Å; I328-Y423 HydrophobicContact CB-CG 4.5Å; I328-Y423 HydrophobicContact CD1-CE2 3.79Å; I328-Y423 HydrophobicContact CG1-CE2 4.27Å; I328-Y423 HydrophobicContact CG2-CE1 3.83Å; I328-Y423 PolarHBondContact N-O 3.34Å; I328-Y423 PolarHBondContact O-N 3.31Å; I328-W502 HydrophobicContact CD1-CB 4.28Å; I328-W502 HydrophobicContact CD1-CD2 3.41Å; I328-W502 VanDerWaalsContact CD1-CD2 3.41Å; I328-W502 HydrophobicContact CD1-CE3 4Å; I328-W502 HydrophobicContact CD1-CG 3.51Å; I328-W502 HydrophobicContact CD1-CZ2 4.2Å; I328-I546 HydrophobicContact CG2-CG2 4.28Å |
| 329 | N | 78.2 | Confident | 65.4 | Low | 38 Ų | 38 | 43.8 Ų | 43.8 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 114.3 | -174.5 | -47.3 | -90.4 | 0 | 0 | 0 | 109.3 | W327 I421 K422 I546 N547 | W327-N329 PolarHBondContact O-ND2 3.48Å; N329-I421 CarbonylContact C-O 3.56Å; N329-I421 WeakPolarHBondContact CA-O 2.8Å; N329-K422 HydrophobicContact CB-CG 4.4Å; N329-K422 WeakPolarHBondContact OD1-CD 3.21Å; N329-K422 WeakPolarHBondContact OD1-CE 3.27Å; N329-K422 VanDerWaalsContact OD1-CG 3.23Å; N329-K422 WeakPolarHBondContact OD1-CG 3.19Å; N329-K422 PolarHBondContact OD1-NZ 3.48Å; N329-I546 CarbonylContact O-C 3.58Å; N329-I546 WeakPolarHBondContact O-CA 3.5Å; N329-N547 PolarHBondContact N-OD1 3.26Å; N329-N547 PolarHBondContact ND2-OD1 2.67Å; N329-N547 PolarHBondContact O-N 3.14Å |
| 330 | I | 84.7 | Confident | 66 | Low | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 125.4 | 174 | -58 | -178.3 | 0 | 0 | 0 | 108.8 | I332 L348 I421 Y423 T545 I546 | I330-I332 HydrophobicContact CG2-CG1 4.24Å; I330-L348 HydrophobicContact CD1-CD2 3.81Å; I330-I421 PolarHBondContact N-O 3.22Å; I330-I421 PolarHBondContact O-N 3.2Å; I330-Y423 HydrophobicContact CD1-CE1 3.99Å; I330-T545 WeakPolarHBondContact CA-O 3.32Å; I330-I546 HydrophobicContact CG1-CG1 4.17Å |
| 331 | E | 87.8 | Confident | 66.9 | Low | 25 Ų | 25 | 37.5 Ų | 37.5 | 12% | 0.117 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128 | 172.5 | 166.7 | 170.7 | -175.1 | 0 | 0 | 110 | Q333 K418 L419 H420 V544 T545 | E331-Q333 HydrophobicContact CG-CG 4.34Å; E331-K418 WeakPolarHBondContact OE1-CE 3.4Å; E331-K418 IonicContact OE1-NZ 2.71Å; E331-K418 PolarHBondContact OE1-NZ 2.89Å; E331-K418 IonicContact OE2-NZ 3.92Å; E331-L419 WeakPolarHBondContact CA-O 3.37Å; E331-H420 IonicContact OE1-NE2 2.74Å; E331-H420 IonicContact OE2-CD2 3.01Å; E331-H420 IonicContact OE2-CE1 2.74Å; E331-H420 IonicContact OE2-NE2 2.56Å; E331-H420 PolarHBondContact OE2-NE2 2.68Å; E331-V544 CarbonylContact O-C 3.49Å; E331-V544 WeakPolarHBondContact O-CA 3.49Å; E331-T545 WeakPolarHBondContact CB-OG1 3.24Å; E331-T545 PolarHBondContact N-O 2.89Å; E331-T545 PolarHBondContact O-N 3.26Å; E331-T545 PolarHBondContact O-OG1 2.7Å |
| 332 | I | 89.7 | Confident | 68.6 | Low | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 120.5 | 173.2 | -57.8 | 174.8 | 0 | 0 | 0 | 108.2 | I330 F334 F346 L419 I541 V544 | I330-I332 HydrophobicContact CG2-CG1 4.24Å; I332-F334 HydrophobicContact CG2-CD1 4.19Å; I332-F346 HydrophobicContact CD1-CB 3.94Å; I332-F346 HydrophobicContact CD1-CD1 3.41Å; I332-F346 VanDerWaalsContact CD1-CD1 3.41Å; I332-F346 HydrophobicContact CD1-CD2 4.2Å; I332-F346 HydrophobicContact CD1-CE1 3.92Å; I332-F346 HydrophobicContact CD1-CG 3.57Å; I332-L419 PolarHBondContact N-O 2.93Å; I332-L419 PolarHBondContact O-N 3.37Å; I332-I541 HydrophobicContact CG2-CG2 4.44Å; I332-V544 HydrophobicContact CG1-CG1 4.48Å; I332-V544 HydrophobicContact CG1-CG2 4.39Å; I332-V544 HydrophobicContact CG2-CG2 4.45Å |
| 333 | Q | 88.3 | Confident | 70.3 | Confident | 40 Ų | 40 | 31.9 Ų | 31.9 | 19% | 0.187 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.7 | 170.6 | -59.3 | -165.8 | -85.6 | 0 | 0 | 109.9 | E331 I416 H417 K418 T542 R543 | E331-Q333 HydrophobicContact CG-CG 4.34Å; Q333-I416 HydrophobicContact CB-CG2 4.05Å; Q333-H417 WeakPolarHBondContact CA-O 3.45Å; Q333-K418 HydrophobicContact CG-CG 3.89Å; Q333-T542 WeakPolarHBondContact CB-OG1 3.12Å; Q333-T542 PolarHBondContact O-N 2.83Å; Q333-T542 PolarHBondContact O-OG1 2.81Å; Q333-R543 HydrophobicContact CB-CB 3.95Å; Q333-R543 HydrophobicContact CG-CB 3.98Å; Q333-R543 PolarHBondContact N-O 2.91Å |
| 334 | F | 87.3 | Confident | 72.1 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 161.3 | -175.3 | 70.3 | -89.3 | 0 | 0 | 0 | 113.2 | I332 Y336 L345 F385 L390 I416 H417 L419 Y447 F537 C540 I541 | I332-F334 HydrophobicContact CG2-CD1 4.19Å; F334-Y336 HydrophobicContact CE2-CD1 4.22Å; F334-L345 HydrophobicContact CB-CD1 4.31Å; F334-L345 HydrophobicContact CD1-CD1 4.25Å; F334-L345 HydrophobicContact CD1-CD2 3.91Å; F334-L345 HydrophobicContact CD2-CD1 4.36Å; F334-L345 HydrophobicContact CE1-CD2 3.66Å; F334-L345 HydrophobicContact CG-CD1 4.05Å; F334-L345 HydrophobicContact CG-CD2 4.43Å; F334-L345 HydrophobicContact CZ-CD2 4Å; F334-F385 HydrophobicContact CE2-CE2 4.13Å; F334-F385 AromaticContact CE2-CZ 3.72Å; F334-F385 HydrophobicContact CE2-CZ 3.72Å; F334-F385 HydrophobicContact CZ-CZ 4.05Å; F334-L390 HydrophobicContact CZ-CD2 4.47Å; F334-I416 CarbonylContact O-C 3.54Å; F334-H417 HydrophobicContact CD1-CB 4.47Å; F334-H417 HydrophobicContact CD2-CB 4.49Å; F334-H417 HydrophobicContact CE1-CB 4.03Å; F334-H417 HydrophobicContact CE2-CB 4.03Å; F334-H417 HydrophobicContact CZ-CB 3.79Å; F334-H417 PolarHBondContact N-O 3.46Å; F334-H417 PolarHBondContact O-N 3.11Å; F334-L419 HydrophobicContact CE1-CB 4.26Å; F334-Y447 HydrophobicContact CE1-CE2 4.47Å; F334-Y447 HydrophobicContact CZ-CE2 4.11Å; F334-F537 HydrophobicContact CB-CZ 4.25Å; F334-F537 HydrophobicContact CD2-CE2 4.13Å; F334-F537 AromaticContact CD2-CZ 3.88Å; F334-F537 HydrophobicContact CD2-CZ 3.88Å; F334-F537 HydrophobicContact CG-CZ 4.4Å; F334-C540 CarbonylContact C-O 3.52Å; F334-C540 WeakPolarHBondContact CA-O 3.31Å; F334-C540 WeakPolarHBondContact CB-O 3.32Å; F334-I541 HydrophobicContact CB-CG1 4.4Å |
| 335 | S | 82 | Confident | 74.1 | Confident | 19 Ų | 19 | 26.4 Ų | 26.4 | 13% | 0.133 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 140.4 | 163.3 | 58.6 | 0 | 0 | 0 | 0 | 109 | F537 G539 C540 | S335-F537 WeakPolarHBondContact O-CZ 3.36Å; S335-G539 CarbonylContact O-C 3.53Å; S335-G539 VanDerWaalsContact O-CA 3.31Å; S335-G539 WeakPolarHBondContact O-CA 3.23Å; S335-C540 PolarHBondContact N-O 3.43Å; S335-C540 PolarHBondContact O-N 3.28Å; S335-C540 WeakPolarHBondContact OG-CB 3.38Å |
| 336 | Y | 77 | Confident | 76.1 | Confident | 44 Ų | 44 | 24 Ų | 24 | 17% | 0.173 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 149.3 | -174.5 | 73.6 | -78.8 | 0 | 0 | 0 | 111.1 | F334 A338 F385 H417 | F334-Y336 HydrophobicContact CE2-CD1 4.22Å; Y336-A338 PolarHBondContact O-N 2.98Å; Y336-F385 HydrophobicContact CD1-CE1 4.46Å; Y336-F385 HydrophobicContact CD1-CZ 4.3Å; Y336-F385 HydrophobicContact CD2-CE1 4.4Å; Y336-F385 HydrophobicContact CE2-CE1 4.43Å; Y336-F385 HydrophobicContact CG-CE1 4.41Å; Y336-F385 HydrophobicContact CG-CZ 4.3Å; Y336-H417 AromaticContact CD1-CD2 3.99Å; Y336-H417 AromaticContact CE1-CD2 3.94Å; Y336-H417 AromaticContact CE1-NE2 3.66Å |
| 337 | Y | 68.3 | Low | 77.3 | Confident | 42 Ų | 42 | 22.6 Ų | 22.6 | 17% | 0.165 | 12% | 0.12 | C | C | . | . | trans | -82.4 | 115.5 | 176.3 | -58.2 | -50.9 | 0 | 0 | 0 | 109.8 | S278 N280 T339 N340 Q538 G539 | S278-Y337 PolarHBondContact OG-OH 2.93Å; N280-Y337 HydrophobicContact CB-CE2 4.49Å; Y337-T339 PolarHBondContact O-N 2.95Å; Y337-N340 PolarHBondContact O-N 3.16Å; Y337-Q538 VanDerWaalsContact CD2-C 3.47Å; Y337-Q538 HydrophobicContact CD2-CB 4.09Å; Y337-Q538 PolarHBondContact N-O 2.88Å; Y337-Q538 VanDerWaalsContact N-O 3.08Å; Y337-G539 VanDerWaalsContact CE2-CA 3.43Å | ||
| 338 | A | 56.3 | Low | 77.9 | Confident | 45 Ų | 45 | 21.8 Ų | 21.8 | 37% | 0.372 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -7.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y336 N388 L413 | Y336-A338 PolarHBondContact O-N 2.98Å; A338-N388 PolarHBondContact O-ND2 2.81Å; A338-L413 HydrophobicContact CB-CD2 4.2Å |
| 339 | T | 55.8 | Low | 77.9 | Confident | 77 Ų | 77 | 22.7 Ų | 22.7 | 47% | 0.472 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -21.8 | 172.7 | 45.6 | 0 | 0 | 0 | 0 | 114 | Y337 | Y337-T339 PolarHBondContact O-N 2.95Š|
| 340 | N | 57.7 | Low | 77.2 | Confident | 12 Ų | 12 | 22.3 Ų | 22.3 | 6% | 0.064 | 12% | 0.118 | C | C | . | . | trans | -100 | 124.4 | -175 | -168.8 | 24.9 | 0 | 0 | 0 | 111.5 | Y337 N342 N388 Q538 | Y337-N340 PolarHBondContact O-N 3.16Å; N340-N342 PolarHBondContact ND2-O 2.8Å; N340-N388 PolarHBondContact O-OD1 2.84Å; N340-Q538 HydrophobicContact CB-CB 4.13Å; N340-Q538 WeakPolarHBondContact ND2-CG 3.48Å | ||
| 341 | H | 65.9 | Low | 76 | Confident | 79 Ų | 79 | 23.8 Ų | 23.8 | 37% | 0.366 | 13% | 0.126 | S | C | . | . | trans | -81.8 | -34.2 | -170.4 | -72.6 | -33.1 | 0 | 0 | 0 | 114.2 | R386 H387 N388 | H341-R386 CarbonylContact O-C 3.6Å; H341-H387 WeakPolarHBondContact O-CA 3.12Å; H341-H387 PolarHBondContact O-N 3.08Å; H341-N388 WeakPolarHBondContact CA-OD1 3.39Å; H341-N388 PolarHBondContact ND1-OD1 2.9Å; H341-N388 PolarHBondContact O-N 2.97Å | ||
| 342 | N | 73.5 | Confident | 74.1 | Confident | 21 Ų | 21 | 27.5 Ų | 27.5 | 11% | 0.112 | 15% | 0.145 | C | C | . | . | trans | -135.4 | 157.5 | -178.3 | -36.1 | -65.7 | 0 | 0 | 0 | 111.5 | N340 F385 R386 H387 N529 Q535 | N340-N342 PolarHBondContact ND2-O 2.8Å; N342-F385 WeakPolarHBondContact CA-O 3.38Å; N342-F385 WeakPolarHBondContact CB-O 3.28Å; N342-R386 WeakPolarHBondContact OD1-CA 3.45Å; N342-H387 PolarHBondContact OD1-N 2.92Å; N342-N529 WeakPolarHBondContact CB-OD1 3.22Å; N342-Q535 PolarHBondContact ND2-OE1 3.09Å | ||
| 343 | G | 79 | Confident | 72 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.2 | 144.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L345 E384 F385 N529 Q535 | G343-L345 PolarHBondContact O-N 2.66Å; G343-E384 WeakPolarHBondContact O-CA 3.27Å; G343-F385 PolarHBondContact N-O 2.94Å; G343-F385 VanDerWaalsContact N-O 3.16Å; G343-F385 PolarHBondContact O-N 2.85Å; G343-N529 PolarHBondContact N-ND2 3.38Å; G343-N529 PolarHBondContact N-OD1 3.33Å; G343-Q535 VanDerWaalsContact CA-O 3.29Å; G343-Q535 WeakPolarHBondContact CA-O 3.47Å |
| 344 | L | 84.1 | Confident | 69.7 | Low | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 112.9 | 179.5 | -177.8 | 63.3 | 0 | 0 | 0 | 110.8 | F346 L347 E384 S510 M512 I527 Q535 F537 | L344-F346 WeakPolarHBondContact CD1-O 3.13Å; L344-L347 HydrophobicContact CD2-CB 4.33Å; L344-E384 HydrophobicContact CD1-CB 4.08Å; L344-S510 CarbonylContact O-C 3.27Å; L344-S510 VanDerWaalsContact O-CA 3.22Å; L344-S510 WeakPolarHBondContact O-CA 3.36Å; L344-M512 HydrophobicContact CD2-CE 3.94Å; L344-I527 HydrophobicContact CD1-CG2 3.99Å; L344-Q535 PolarHBondContact N-O 2.77Å; L344-F537 WeakPolarHBondContact O-CB 3.42Å |
| 345 | L | 87.6 | Confident | 67.4 | Low | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | -51.9 | 178.5 | 174.4 | 64.9 | 0 | 0 | 0 | 110.6 | F334 G343 A383 F385 L390 L419 S510 F537 I541 | F334-L345 HydrophobicContact CB-CD1 4.31Å; F334-L345 HydrophobicContact CD1-CD1 4.25Å; F334-L345 HydrophobicContact CD1-CD2 3.91Å; F334-L345 HydrophobicContact CD2-CD1 4.36Å; F334-L345 HydrophobicContact CE1-CD2 3.66Å; F334-L345 HydrophobicContact CG-CD1 4.05Å; F334-L345 HydrophobicContact CG-CD2 4.43Å; F334-L345 HydrophobicContact CZ-CD2 4Å; G343-L345 PolarHBondContact O-N 2.66Å; L345-A383 WeakPolarHBondContact CA-O 3.27Å; L345-A383 WeakPolarHBondContact CB-O 3.28Å; L345-A383 PolarHBondContact N-O 2.83Å; L345-F385 HydrophobicContact CB-CE2 4.39Å; L345-F385 HydrophobicContact CD2-CE2 4.47Å; L345-L390 HydrophobicContact CD2-CD1 4.32Å; L345-L419 HydrophobicContact CD2-CD2 4.39Å; L345-S510 PolarHBondContact O-N 3.46Å; L345-F537 HydrophobicContact CB-CD2 4.44Å; L345-F537 HydrophobicContact CD1-CD1 4.28Å; L345-F537 HydrophobicContact CD1-CD2 3.89Å; L345-F537 HydrophobicContact CD1-CE1 4.16Å; L345-F537 HydrophobicContact CD1-CE2 3.76Å; L345-F537 HydrophobicContact CD1-CG 4.15Å; L345-F537 HydrophobicContact CD1-CZ 3.9Å; L345-I541 HydrophobicContact CD1-CD1 4.43Å |
| 346 | F | 89.6 | Confident | 65.2 | Low | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 160.4 | 173.1 | 82.1 | -82.9 | 0 | 0 | 0 | 112.1 | I332 L344 I381 G382 A383 L419 I421 L507 Y508 L509 | I332-F346 HydrophobicContact CD1-CB 3.94Å; I332-F346 HydrophobicContact CD1-CD1 3.41Å; I332-F346 VanDerWaalsContact CD1-CD1 3.41Å; I332-F346 HydrophobicContact CD1-CD2 4.2Å; I332-F346 HydrophobicContact CD1-CE1 3.92Å; I332-F346 HydrophobicContact CD1-CG 3.57Å; L344-F346 WeakPolarHBondContact CD1-O 3.13Å; F346-I381 HydrophobicContact CE2-CG2 4.07Å; F346-I381 WeakPolarHBondContact CE2-O 3.46Å; F346-I381 HydrophobicContact CZ-CG2 3.9Å; F346-G382 CarbonylContact O-C 3.59Å; F346-G382 VanDerWaalsContact O-CA 3.26Å; F346-G382 WeakPolarHBondContact O-CA 3.24Å; F346-A383 HydrophobicContact CD1-CB 3.8Å; F346-A383 HydrophobicContact CE1-CB 3.41Å; F346-A383 VanDerWaalsContact CE1-CB 3.41Å; F346-A383 HydrophobicContact CZ-CB 4.3Å; F346-A383 PolarHBondContact N-O 3.01Å; F346-A383 PolarHBondContact O-N 3.19Å; F346-L419 HydrophobicContact CE1-CD2 3.77Å; F346-I421 HydrophobicContact CE1-CD1 4Å; F346-I421 HydrophobicContact CZ-CD1 3.52Å; F346-L507 HydrophobicContact CB-CD1 4.15Å; F346-L507 HydrophobicContact CD2-CD1 3.79Å; F346-L507 HydrophobicContact CG-CD1 4.38Å; F346-Y508 CarbonylContact C-O 3.58Å; F346-Y508 WeakPolarHBondContact CA-O 3.5Å; F346-Y508 WeakPolarHBondContact CB-O 3.37Å; F346-L509 HydrophobicContact CB-CD2 3.88Å |
| 347 | L | 85.6 | Confident | 63.3 | Low | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 123.7 | 165.8 | 171.3 | 64 | 0 | 0 | 0 | 109.2 | L344 R349 L380 Y508 M512 I524 I527 | L344-L347 HydrophobicContact CD2-CB 4.33Å; L347-R349 HydrophobicContact CD1-CB 4.4Å; L347-R349 HydrophobicContact CD2-CB 4.35Å; L347-R349 HydrophobicContact CG-CB 4.13Å; L347-L380 HydrophobicContact CD1-CB 3.99Å; L347-L380 HydrophobicContact CD1-CD1 3.7Å; L347-L380 HydrophobicContact CD1-CG 4.27Å; L347-Y508 PolarHBondContact N-O 3.28Å; L347-Y508 PolarHBondContact O-N 2.8Å; L347-M512 HydrophobicContact CD2-CE 3.42Å; L347-M512 VanDerWaalsContact CD2-CE 3.42Å; L347-I524 HydrophobicContact CD2-CD1 3.73Å; L347-I527 HydrophobicContact CD1-CD1 3.84Å; L347-I527 HydrophobicContact CD2-CD1 4.22Å |
| 348 | L | 83.3 | Confident | 61.7 | Low | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 122.4 | 164.9 | -163 | 76.3 | 0 | 0 | 0 | 108.6 | L295 I330 L380 I381 Y423 F503 T506 L507 | L295-L348 HydrophobicContact CD1-CD1 3.62Å; L295-L348 HydrophobicContact CD1-CD2 4.26Å; L295-L348 HydrophobicContact CG-CD1 4.11Å; I330-L348 HydrophobicContact CD1-CD2 3.81Å; L348-L380 VanDerWaalsContact O-CA 3.3Å; L348-L380 WeakPolarHBondContact O-CA 3.42Å; L348-L380 VanDerWaalsContact O-CB 3.28Å; L348-L380 WeakPolarHBondContact O-CB 3.45Å; L348-I381 PolarHBondContact N-O 3.43Å; L348-I381 PolarHBondContact O-N 3.4Å; L348-I381 VanDerWaalsContact O-N 3.14Å; L348-Y423 HydrophobicContact CD2-CE1 4.29Å; L348-F503 CarbonylContact C-O 3.51Å; L348-F503 HydrophobicContact CD2-CB 4.11Å; L348-F503 VanDerWaalsContact CD2-O 3.28Å; L348-F503 WeakPolarHBondContact CD2-O 3.31Å; L348-F503 WeakPolarHBondContact CG-O 3.36Å; L348-T506 WeakPolarHBondContact CA-O 3.38Å; L348-L507 HydrophobicContact CD1-CB 3.78Å; L348-L507 HydrophobicContact CD1-CD1 4.06Å; L348-L507 HydrophobicContact CD1-CG 4.47Å |
| 349 | R | 74.7 | Confident | 60.9 | Low | 23 Ų | 23 | 47.2 Ų | 47.2 | 9% | 0.087 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 153.4 | -175.5 | 164.3 | 177.6 | 168 | -143.4 | -13.9 | 110.4 | L347 L380 G504 R505 T506 | L347-R349 HydrophobicContact CD1-CB 4.4Å; L347-R349 HydrophobicContact CD2-CB 4.35Å; L347-R349 HydrophobicContact CG-CB 4.13Å; R349-L380 HydrophobicContact CB-CB 4.43Å; R349-G504 CarbonylContact O-C 3.46Å; R349-G504 WeakPolarHBondContact O-CA 3.07Å; R349-R505 PolarHBondContact O-N 2.85Å; R349-T506 PolarHBondContact N-O 3.38Å; R349-T506 WeakPolarHBondContact O-CB 3.35Å; R349-T506 PolarHBondContact O-N 2.89Å |
| 350 | D | 64 | Low | 59.8 | Low | 30 Ų | 30 | 45.4 Ų | 45.4 | 16% | 0.16 | 23% | 0.226 | C | C | . | . | trans | -88.5 | 140.2 | 168.9 | -126.6 | -15.7 | 0 | 0 | 0 | 114.2 | G504 R505 | D350-G504 VanDerWaalsContact N-CA 3.31Å; D350-R505 PolarHBondContact OD1-N 2.6Å | ||
| 351 | D | 57.8 | Low | 58.8 | Low | 37 Ų | 37 | 49 Ų | 49 | 20% | 0.198 | 24% | 0.241 | C | C | . | . | trans | -109.6 | -4.3 | -175.5 | -76.8 | -13.4 | 0 | 0 | 0 | 113.4 | K294 D353 G354 T506 | K294-D351 IonicContact NZ-OD2 3.99Å; K294-D351 PolarHBondContact NZ-OD2 2.95Å; D351-D353 CarbonylContact O-C 3.41Å; D351-D353 PolarHBondContact O-N 3.02Å; D351-D353 VanDerWaalsContact O-N 3.1Å; D351-G354 PolarHBondContact O-N 2.89Å; D351-T506 WeakPolarHBondContact OD2-CB 3.46Å; D351-T506 WeakPolarHBondContact OD2-CG2 3.2Å; D351-T506 PolarHBondContact OD2-OG1 3.48Å | ||
| 352 | I | 49.1 | Very low | 57.2 | Low | 102 Ų | 102 | 50.5 Ų | 50.5 | 52% | 0.523 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -52.2 | -41.9 | -165.1 | -67.7 | 171.4 | 0 | 0 | 0 | 112.1 | G354 T500 | I352-G354 PolarHBondContact O-N 2.86Å; I352-T500 HydrophobicContact CD1-CG2 3.56Å |
| 353 | D | 46.1 | Very low | 55.1 | Low | 63 Ų | 63 | 56.8 Ų | 56.8 | 34% | 0.337 | 28% | 0.277 | S | S | . | . | trans | -89.3 | 84.9 | 169.8 | -120.6 | -12.7 | 0 | 0 | 0 | 110.5 | D351 R355 K357 | D351-D353 CarbonylContact O-C 3.41Å; D351-D353 PolarHBondContact O-N 3.02Å; D351-D353 VanDerWaalsContact O-N 3.1Å; D353-R355 CarbonylContact O-C 3.54Å; D353-R355 PolarHBondContact O-N 3.05Å; D353-K357 WeakPolarHBondContact OD2-CE 3.19Å; D353-K357 IonicContact OD2-NZ 3.71Å; D353-K357 PolarHBondContact OD2-NZ 3.31Å | ||
| 354 | G | 39.1 | Very low | 52.7 | Low | 52 Ų | 52 | 64 Ų | 64 | 54% | 0.536 | 32% | 0.315 | S | S | . | . | trans | -58.7 | -10.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113 | D351 I352 L356 | D351-G354 PolarHBondContact O-N 2.89Å; I352-G354 PolarHBondContact O-N 2.86Å; G354-L356 PolarHBondContact O-N 2.85Å | ||
| 355 | R | 38.5 | Very low | 50.1 | Low | 202 Ų | 202 | 74.5 Ų | 74.5 | 76% | 0.762 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -82 | 96.3 | 157.6 | -68.2 | 177.8 | 175 | -179.6 | -0.1 | 109.3 | D353 K357 | D353-R355 CarbonylContact O-C 3.54Å; D353-R355 PolarHBondContact O-N 3.05Å; R355-K357 VanDerWaalsContact C-N 3.28Å; R355-K357 PolarHBondContact O-N 3.29Å |
| 356 | L | 37.4 | Very low | 47.1 | Very low | 48 Ų | 48 | 82 Ų | 82 | 25% | 0.251 | 40% | 0.397 | S | S | . | . | trans | -63.2 | 91.7 | 166 | -81.6 | 162.3 | 0 | 0 | 0 | 109.9 | G354 H358 N520 L522 | G354-L356 PolarHBondContact O-N 2.85Å; L356-H358 PolarHBondContact O-N 3.26Å; L356-H358 PolarHBondContact O-ND1 3.19Å; L356-N520 HydrophobicContact CD1-CB 3.59Å; L356-L522 HydrophobicContact CD1-CB 4.45Å; L356-L522 HydrophobicContact CD1-CD1 4.06Å; L356-L522 HydrophobicContact CD2-CD1 3.51Å; L356-L522 HydrophobicContact CG-CD1 4.46Å | ||
| 357 | K | 35.6 | Very low | 44.1 | Very low | 109 Ų | 109 | 91.1 Ų | 91.1 | 47% | 0.474 | 44% | 0.439 | S | S | . | . | trans | -58.1 | 99.6 | 172.3 | -74.3 | 171.8 | 177 | 151.8 | 0 | 107.8 | D353 R355 D376 | D353-K357 WeakPolarHBondContact OD2-CE 3.19Å; D353-K357 IonicContact OD2-NZ 3.71Å; D353-K357 PolarHBondContact OD2-NZ 3.31Å; R355-K357 VanDerWaalsContact C-N 3.28Å; R355-K357 PolarHBondContact O-N 3.29Å; K357-D376 IonicContact NZ-OD1 2.83Å; K357-D376 IonicContact NZ-OD2 3.33Å; K357-D376 PolarHBondContact NZ-OD2 3.43Å | ||
| 358 | H | 35 | Very low | 41.3 | Very low | 81 Ų | 81 | 100.5 Ų | 100.5 | 38% | 0.375 | 48% | 0.483 | S | S | . | . | trans | -52.9 | 146.9 | -174.1 | -68.5 | 20.8 | 0 | 0 | 0 | 110.8 | L356 S360 Y680 | L356-H358 PolarHBondContact O-N 3.26Å; L356-H358 PolarHBondContact O-ND1 3.19Å; H358-S360 VanDerWaalsContact C-N 3.25Å; H358-S360 PolarHBondContact O-N 2.89Å; H358-Y680 VanDerWaalsContact CB-OH 3.27Å; H358-Y680 WeakPolarHBondContact CB-OH 3.19Å; H358-Y680 PolarHBondContact CD2-OH 2.82Å; H358-Y680 VanDerWaalsContact CD2-OH 3.27Å | ||
| 359 | Y | 39.5 | Very low | 38.5 | Very low | 51 Ų | 51 | 108.1 Ų | 108.1 | 20% | 0.2 | 52% | 0.523 | C | S | . | . | trans | -71.4 | 79.1 | 179.7 | -77.8 | -90.9 | 0 | 0 | 0 | 111.3 | F361 K398 F523 | Y359-F361 PolarHBondContact O-N 2.96Å; Y359-K398 HydrophobicContact CE1-CB 4.29Å; Y359-K398 HydrophobicContact CE1-CD 4.48Å; Y359-K398 HydrophobicContact CE1-CG 4.05Å; Y359-F523 HydrophobicContact CD2-CB 4.46Å; Y359-F523 HydrophobicContact CE2-CB 4.38Å; Y359-F523 VanDerWaalsContact CE2-O 3.25Å; Y359-F523 WeakPolarHBondContact CE2-O 3.4Å; Y359-F523 PolarHBondContact OH-O 3.45Å | ||
| 360 | S | 33.5 | Very low | 36.3 | Very low | 39 Ų | 39 | 112.4 Ų | 112.4 | 27% | 0.273 | 56% | 0.556 | S | S | . | * | trans | -69.9 | 96.5 | 168.9 | 53 | 0 | 0 | 0 | 0 | 109.7 | H358 I362 | H358-S360 VanDerWaalsContact C-N 3.25Å; H358-S360 PolarHBondContact O-N 2.89Å; S360-I362 VanDerWaalsContact C-N 3.31Å; S360-I362 PolarHBondContact O-N 2.83Å | ||
| 361 | F | 35.3 | Very low | 34.5 | Very low | 88 Ų | 88 | 116.7 Ų | 116.7 | 39% | 0.386 | 58% | 0.579 | S | S | . | * | trans | -73.6 | 83.1 | 176.7 | -131.3 | -67.4 | 0 | 0 | 0 | 110.8 | Y359 K363 E801 | Y359-F361 PolarHBondContact O-N 2.96Å; F361-K363 VanDerWaalsContact C-N 3.3Å; F361-K363 HydrophobicContact CD1-CB 4.42Å; F361-K363 HydrophobicContact CD1-CD 4.23Å; F361-K363 HydrophobicContact CD1-CG 4.06Å; F361-K363 HydrophobicContact CE1-CD 3.76Å; F361-K363 HydrophobicContact CE1-CG 3.89Å; F361-K363 PolarHBondContact O-N 3.07Å; F361-K363 VanDerWaalsContact O-N 3.13Å; F361-E801 WeakPolarHBondContact CE2-OE2 3.47Å | ||
| 362 | I | 32.2 | Very low | 33.1 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 56% | 0.564 | 61% | 0.611 | S | S | * | * | trans | -79.4 | 86.9 | 163.3 | -57.1 | 175.1 | 0 | 0 | 0 | 107.3 | S360 | S360-I362 VanDerWaalsContact C-N 3.31Å; S360-I362 PolarHBondContact O-N 2.83Å | ||
| 363 | K | 30.4 | Very low | 32.2 | Very low | 153 Ų | 153 | 126.2 Ų | 126.2 | 67% | 0.665 | 63% | 0.625 | S | S | * | * | trans | -102 | 153.5 | 144.4 | -85.3 | 177.5 | 176.4 | 168.4 | 0 | 107.3 | F361 | F361-K363 VanDerWaalsContact C-N 3.3Å; F361-K363 HydrophobicContact CD1-CB 4.42Å; F361-K363 HydrophobicContact CD1-CD 4.23Å; F361-K363 HydrophobicContact CD1-CG 4.06Å; F361-K363 HydrophobicContact CE1-CD 3.76Å; F361-K363 HydrophobicContact CE1-CG 3.89Å; F361-K363 PolarHBondContact O-N 3.07Å; F361-K363 VanDerWaalsContact O-N 3.13Å | ||
| 364 | D | 28.3 | Very low | 31.7 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 81% | 0.807 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 60.7 | 75.1 | -177 | -52.8 | -20.3 | 0 | 0 | 0 | 114.5 | ||
| 365 | Y | 28.7 | Very low | 31.6 | Very low | 222 Ų | 222 | 134.5 Ų | 134.5 | 87% | 0.871 | 65% | 0.651 | S | S | * | * | -153.9 | 138.9 | 116.7 | -110.5 | -76.3 | 0 | 0 | 0 | 110.6 | E367 | Y365-E367 PolarHBondContact O-N 3.19Š| |||
| 366 | N | 26.2 | Very low | 32 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 85% | 0.845 | 64% | 0.639 | S | S | * | * | trans | -84.2 | 105.9 | 173.6 | -68 | -54.8 | 0 | 0 | 0 | 109.5 | ||||
| 367 | E | 26.9 | Very low | 32.5 | Very low | 192 Ų | 192 | 128 Ų | 128 | 90% | 0.897 | 64% | 0.637 | S | S | * | * | trans | -162.1 | 163.3 | 152.6 | -120.6 | 162.9 | -144.6 | 0 | 0 | 113.4 | Y365 L369 | Y365-E367 PolarHBondContact O-N 3.19Å; E367-L369 PolarHBondContact O-N 2.82Å | ||
| 368 | Q | 26.1 | Very low | 33.5 | Very low | 198 Ų | 198 | 126.1 Ų | 126.1 | 93% | 0.925 | 63% | 0.632 | S | S | * | * | trans | -84.9 | 96.2 | -168.4 | -62.9 | 172.8 | -59.7 | 0 | 0 | 111.9 | ||||
| 369 | L | 23.8 | Very low | 34.9 | Very low | 162 Ų | 162 | 123.6 Ų | 123.6 | 85% | 0.848 | 62% | 0.621 | S | S | * | * | trans | -89.9 | 130.4 | 160.1 | -84.3 | 163.8 | 0 | 0 | 0 | 110 | E367 | E367-L369 PolarHBondContact O-N 2.82Š| ||
| 370 | S | 28.2 | Very low | 36.7 | Very low | 112 Ų | 112 | 121.3 Ų | 121.3 | 78% | 0.783 | 61% | 0.612 | S | S | * | * | trans | -70.3 | 137.6 | -171.4 | 49 | 0 | 0 | 0 | 0 | 113.1 | E372 | S370-E372 PolarHBondContact O-N 3.08Å; S370-E372 VanDerWaalsContact O-N 3.08Å | ||
| 371 | N | 26.9 | Very low | 39.1 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 65% | 0.647 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -62.5 | 104.3 | 170.7 | -57.2 | -27.7 | 0 | 0 | 0 | 110.5 | ||
| 372 | E | 28.9 | Very low | 41.5 | Very low | 184 Ų | 184 | 115.4 Ų | 115.4 | 86% | 0.86 | 58% | 0.582 | S | S | * | * | trans | 179.7 | 66 | 156 | -106.1 | 169.2 | -145.7 | 0 | 0 | 110.5 | S370 | S370-E372 PolarHBondContact O-N 3.08Å; S370-E372 VanDerWaalsContact O-N 3.08Å | ||
| 373 | D | 29 | Very low | 44.2 | Very low | 154 Ų | 154 | 110.2 Ų | 110.2 | 82% | 0.824 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -158.5 | 83.7 | 161.9 | -114.6 | -28.2 | 0 | 0 | 0 | 112.1 | ||
| 374 | H | 36 | Very low | 46.8 | Very low | 166 Ų | 166 | 102.9 Ų | 102.9 | 77% | 0.769 | 52% | 0.523 | S | S | * | . | trans | 42.6 | 154 | 152.4 | -64.5 | -77.7 | 0 | 0 | 0 | 124.4 | D376 | H374-D376 VanDerWaalsContact C-N 3.3Å; H374-D376 PolarHBondContact O-N 3.21Å | ||
| 375 | L | 38.2 | Very low | 49.3 | Very low | 124 Ų | 124 | 96 Ų | 96 | 65% | 0.649 | 49% | 0.486 | S | S | * | . | trans | -77.3 | 57.7 | -171.3 | -78.1 | 144.6 | 0 | 0 | 0 | 114 | G377 L439 | L375-G377 PolarHBondContact O-N 3.05Å; L375-L439 HydrophobicContact CD1-CD1 3.92Å | ||
| 376 | D | 45.2 | Very low | 51.6 | Low | 93 Ų | 93 | 86.2 Ų | 86.2 | 50% | 0.497 | 45% | 0.448 | S | S | . | . | trans | -72.5 | 52.2 | 176 | -80.8 | -1.1 | 0 | 0 | 0 | 113.3 | K357 H374 | K357-D376 IonicContact NZ-OD1 2.83Å; K357-D376 IonicContact NZ-OD2 3.33Å; K357-D376 PolarHBondContact NZ-OD2 3.43Å; H374-D376 VanDerWaalsContact C-N 3.3Å; H374-D376 PolarHBondContact O-N 3.21Å | ||
| 377 | G | 48 | Very low | 53.8 | Low | 21 Ų | 21 | 84.2 Ų | 84.2 | 22% | 0.216 | 43% | 0.433 | C | S | . | . | trans | -112.3 | 110.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | L375 L379 | L375-G377 PolarHBondContact O-N 3.05Å; G377-L379 PolarHBondContact O-N 2.92Å | ||
| 378 | N | 56.6 | Low | 56 | Low | 69 Ų | 69 | 77.1 Ų | 77.1 | 37% | 0.369 | 40% | 0.401 | S | S | . | . | trans | -64.4 | 93.3 | 175 | -72.1 | -13.7 | 0 | 0 | 0 | 110.5 | ||||
| 379 | L | 65.6 | Low | 58.4 | Low | 27 Ų | 27 | 69.4 Ų | 69.4 | 14% | 0.141 | 37% | 0.366 | C | S | . | . | trans | -66.2 | 129.1 | 171.3 | -71.9 | 161 | 0 | 0 | 0 | 109.3 | G377 K396 M425 L501 F503 | G377-L379 PolarHBondContact O-N 2.92Å; L379-K396 VanDerWaalsContact CD2-O 3.29Å; L379-K396 WeakPolarHBondContact CD2-O 3.17Å; L379-M425 HydrophobicContact CD1-CE 4.22Å; L379-M425 HydrophobicContact CD2-CE 4.46Å; L379-L501 HydrophobicContact CD1-CD2 3.74Å; L379-F503 HydrophobicContact CB-CD1 3.78Å; L379-F503 HydrophobicContact CB-CE1 4Å; L379-F503 HydrophobicContact CD2-CD1 4.45Å; L379-F503 HydrophobicContact CD2-CE1 3.86Å; L379-F503 HydrophobicContact CD2-CZ 4.26Å | ||
| 380 | L | 76.2 | Confident | 61.2 | Low | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 150.8 | 173.4 | 72.1 | 93.8 | 0 | 0 | 0 | 112.9 | L347 L348 R349 I393 Q395 F503 I524 I527 | L347-L380 HydrophobicContact CD1-CB 3.99Å; L347-L380 HydrophobicContact CD1-CD1 3.7Å; L347-L380 HydrophobicContact CD1-CG 4.27Å; L348-L380 VanDerWaalsContact O-CA 3.3Å; L348-L380 WeakPolarHBondContact O-CA 3.42Å; L348-L380 VanDerWaalsContact O-CB 3.28Å; L348-L380 WeakPolarHBondContact O-CB 3.45Å; R349-L380 HydrophobicContact CB-CB 4.43Å; L380-I393 HydrophobicContact CD1-CG2 4.33Å; L380-Q395 HydrophobicContact CD1-CB 4.28Å; L380-Q395 HydrophobicContact CD2-CB 3.87Å; L380-Q395 VanDerWaalsContact CD2-OE1 3.26Å; L380-Q395 HydrophobicContact CG-CB 3.68Å; L380-Q395 PolarHBondContact N-O 2.96Å; L380-Q395 PolarHBondContact O-N 2.8Å; L380-F503 VanDerWaalsContact C-CD1 3.41Å; L380-F503 WeakPolarHBondContact O-CE1 3.39Å; L380-I524 HydrophobicContact CD2-CG2 3.37Å; L380-I527 HydrophobicContact CD1-CD1 4.22Å |
| 381 | I | 84.5 | Confident | 63.8 | Low | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 128.5 | 163.1 | -68.3 | 174 | 0 | 0 | 0 | 107.4 | F346 L348 L392 I393 I394 I421 Y423 I443 F503 | F346-I381 HydrophobicContact CE2-CG2 4.07Å; F346-I381 WeakPolarHBondContact CE2-O 3.46Å; F346-I381 HydrophobicContact CZ-CG2 3.9Å; L348-I381 PolarHBondContact N-O 3.43Å; L348-I381 PolarHBondContact O-N 3.4Å; L348-I381 VanDerWaalsContact O-N 3.14Å; I381-L392 HydrophobicContact CG2-CD1 4.26Å; I381-I393 WeakPolarHBondContact CA-O 3.34Å; I381-I394 HydrophobicContact CG1-CG1 4.3Å; I381-I421 HydrophobicContact CG2-CD1 4.29Å; I381-Y423 HydrophobicContact CD1-CD1 3.95Å; I381-Y423 HydrophobicContact CD1-CG 4.23Å; I381-I443 HydrophobicContact CD1-CD1 3.99Å; I381-F503 HydrophobicContact CD1-CB 3.97Å; I381-F503 HydrophobicContact CD1-CD1 4.12Å; I381-F503 HydrophobicContact CD1-CD2 3.41Å; I381-F503 VanDerWaalsContact CD1-CD2 3.41Å; I381-F503 HydrophobicContact CD1-CE1 4.41Å; I381-F503 HydrophobicContact CD1-CE2 3.76Å; I381-F503 HydrophobicContact CD1-CG 3.58Å; I381-F503 HydrophobicContact CD1-CZ 4.24Å; I381-F503 HydrophobicContact CG1-CB 4.03Å; I381-F503 HydrophobicContact CG1-CD1 3.62Å; I381-F503 HydrophobicContact CG1-CD2 3.9Å; I381-F503 HydrophobicContact CG1-CE1 3.89Å; I381-F503 HydrophobicContact CG1-CE2 4.15Å; I381-F503 HydrophobicContact CG1-CG 3.6Å; I381-F503 HydrophobicContact CG1-CZ 4.13Å |
| 382 | G | 86.5 | Confident | 66.6 | Low | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 170.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F346 I393 | F346-G382 CarbonylContact O-C 3.59Å; F346-G382 VanDerWaalsContact O-CA 3.26Å; F346-G382 WeakPolarHBondContact O-CA 3.24Å; G382-I393 PolarHBondContact N-O 2.91Å; G382-I393 PolarHBondContact O-N 3.38Å |
| 383 | A | 88 | Confident | 69 | Low | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 141.6 | 165 | 0 | 0 | 0 | 0 | 0 | 111.2 | L345 F346 L390 Y391 L392 L419 | L345-A383 WeakPolarHBondContact CA-O 3.27Å; L345-A383 WeakPolarHBondContact CB-O 3.28Å; L345-A383 PolarHBondContact N-O 2.83Å; F346-A383 HydrophobicContact CD1-CB 3.8Å; F346-A383 HydrophobicContact CE1-CB 3.41Å; F346-A383 VanDerWaalsContact CE1-CB 3.41Å; F346-A383 HydrophobicContact CZ-CB 4.3Å; F346-A383 PolarHBondContact N-O 3.01Å; F346-A383 PolarHBondContact O-N 3.19Å; A383-L390 HydrophobicContact CB-CD1 3.96Å; A383-Y391 CarbonylContact C-O 3.55Å; A383-Y391 WeakPolarHBondContact CA-O 3.48Å; A383-L392 HydrophobicContact CB-CD1 4.26Å; A383-L419 HydrophobicContact CB-CD2 4.16Å |
| 384 | E | 85.5 | Confident | 71.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.8 | 179.1 | 77.6 | -173.9 | 157.6 | 0 | 0 | 111.6 | G343 L344 R386 Y391 I393 I527 Q528 N529 | G343-E384 WeakPolarHBondContact O-CA 3.27Å; L344-E384 HydrophobicContact CD1-CB 4.08Å; E384-R386 HydrophobicContact CG-CG 4Å; E384-R386 IonicContact OE1-CZ 3.67Å; E384-R386 IonicContact OE1-NE 3.75Å; E384-R386 PolarHBondContact OE1-NE 2.87Å; E384-R386 IonicContact OE1-NH2 2.77Å; E384-R386 PolarHBondContact OE1-NH2 3.07Å; E384-Y391 PolarHBondContact N-O 2.62Å; E384-Y391 PolarHBondContact O-N 2.91Å; E384-I393 HydrophobicContact CB-CD1 4.46Å; E384-I393 HydrophobicContact CG-CD1 3.8Å; E384-I527 WeakPolarHBondContact OE2-CG2 3.42Å; E384-Q528 PolarHBondContact OE1-N 2.82Å; E384-Q528 PolarHBondContact OE2-N 2.83Å; E384-N529 WeakPolarHBondContact OE2-CB 3.36Å; E384-N529 PolarHBondContact OE2-N 2.82Å; E384-N529 PolarHBondContact OE2-ND2 3.02Å |
| 385 | F | 81.2 | Confident | 73.1 | Confident | 7 Ų | 7 | 29.3 Ų | 29.3 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 135.2 | 167.1 | -72.5 | -89.3 | 0 | 0 | 0 | 110.1 | F334 Y336 N342 G343 L345 N389 L390 T408 N529 F537 | F334-F385 HydrophobicContact CE2-CE2 4.13Å; F334-F385 AromaticContact CE2-CZ 3.72Å; F334-F385 HydrophobicContact CE2-CZ 3.72Å; F334-F385 HydrophobicContact CZ-CZ 4.05Å; Y336-F385 HydrophobicContact CD1-CE1 4.46Å; Y336-F385 HydrophobicContact CD1-CZ 4.3Å; Y336-F385 HydrophobicContact CD2-CE1 4.4Å; Y336-F385 HydrophobicContact CE2-CE1 4.43Å; Y336-F385 HydrophobicContact CG-CE1 4.41Å; Y336-F385 HydrophobicContact CG-CZ 4.3Å; N342-F385 WeakPolarHBondContact CA-O 3.38Å; N342-F385 WeakPolarHBondContact CB-O 3.28Å; G343-F385 PolarHBondContact N-O 2.94Å; G343-F385 VanDerWaalsContact N-O 3.16Å; G343-F385 PolarHBondContact O-N 2.85Å; L345-F385 HydrophobicContact CB-CE2 4.39Å; L345-F385 HydrophobicContact CD2-CE2 4.47Å; F385-N389 WeakPolarHBondContact CA-O 3.46Å; F385-L390 HydrophobicContact CD1-CB 4.38Å; F385-L390 HydrophobicContact CD2-CD1 4.19Å; F385-L390 HydrophobicContact CE1-CB 3.95Å; F385-L390 HydrophobicContact CE1-CD1 4.31Å; F385-L390 HydrophobicContact CE2-CD1 3.84Å; F385-L390 HydrophobicContact CZ-CB 4.24Å; F385-L390 HydrophobicContact CZ-CD1 3.9Å; F385-T408 HydrophobicContact CE1-CG2 4.31Å; F385-N529 PolarHBondContact O-ND2 2.8Å; F385-F537 AromaticContact CD2-CD2 4Å; F385-F537 HydrophobicContact CD2-CD2 4Å; F385-F537 HydrophobicContact CD2-CE2 4.19Å; F385-F537 AromaticContact CE2-CD2 3.97Å; F385-F537 HydrophobicContact CE2-CD2 3.97Å; F385-F537 AromaticContact CE2-CE2 3.73Å; F385-F537 HydrophobicContact CE2-CE2 3.73Å |
| 386 | R | 76.3 | Confident | 74.3 | Confident | 16 Ų | 16 | 24.5 Ų | 24.5 | 6% | 0.06 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 118.6 | 166.6 | -46.5 | 177.1 | -171.9 | 157.3 | 9.5 | 108.2 | H341 N342 E384 N388 N389 Y391 D403 G526 | H341-R386 CarbonylContact O-C 3.6Å; N342-R386 WeakPolarHBondContact OD1-CA 3.45Å; E384-R386 HydrophobicContact CG-CG 4Å; E384-R386 IonicContact OE1-CZ 3.67Å; E384-R386 IonicContact OE1-NE 3.75Å; E384-R386 PolarHBondContact OE1-NE 2.87Å; E384-R386 IonicContact OE1-NH2 2.77Å; E384-R386 PolarHBondContact OE1-NH2 3.07Å; R386-N388 PolarHBondContact O-N 2.84Å; R386-N389 PolarHBondContact N-O 2.99Å; R386-N389 PolarHBondContact O-N 3Å; R386-Y391 HydrophobicContact CB-CD2 3.79Å; R386-Y391 HydrophobicContact CB-CE2 3.74Å; R386-Y391 HydrophobicContact CG-CD2 3.69Å; R386-Y391 HydrophobicContact CG-CE2 4.1Å; R386-Y391 HydrophobicContact CG-CG 4.35Å; R386-D403 IonicContact CZ-OD2 3.71Å; R386-D403 IonicContact NH1-OD2 3.96Å; R386-D403 PolarHBondContact NH1-OD2 2.8Å; R386-D403 IonicContact NH2-OD2 2.71Å; R386-D403 PolarHBondContact NH2-OD2 2.86Å; R386-G526 PolarHBondContact NH2-O 3.24Å |
| 387 | H | 72.7 | Confident | 75 | Confident | 116 Ų | 116 | 22.6 Ų | 22.6 | 54% | 0.537 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 54.9 | -178.9 | -51.6 | 89.6 | 0 | 0 | 0 | 113 | H341 N342 N389 | H341-H387 WeakPolarHBondContact O-CA 3.12Å; H341-H387 PolarHBondContact O-N 3.08Å; N342-H387 PolarHBondContact OD1-N 2.92Å; H387-N389 PolarHBondContact O-N 2.9Å; H387-N389 PolarHBondContact O-ND2 2.74Å |
| 388 | N | 72.3 | Confident | 75.1 | Confident | 43 Ų | 43 | 26.3 Ų | 26.3 | 23% | 0.23 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | -2.2 | -174.4 | -71.8 | 33.3 | 0 | 0 | 0 | 116.8 | A338 N340 H341 R386 T408 | A338-N388 PolarHBondContact O-ND2 2.81Å; N340-N388 PolarHBondContact O-OD1 2.84Å; H341-N388 WeakPolarHBondContact CA-OD1 3.39Å; H341-N388 PolarHBondContact ND1-OD1 2.9Å; H341-N388 PolarHBondContact O-N 2.97Å; R386-N388 PolarHBondContact O-N 2.84Å; N388-T408 PolarHBondContact O-OG1 2.87Å |
| 389 | N | 75.7 | Confident | 74.9 | Confident | 36 Ų | 36 | 29.5 Ų | 29.5 | 19% | 0.193 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 139.6 | 177.1 | -59.9 | -103.2 | 0 | 0 | 0 | 109.7 | F385 R386 H387 Y391 K405 | F385-N389 WeakPolarHBondContact CA-O 3.46Å; R386-N389 PolarHBondContact N-O 2.99Å; R386-N389 PolarHBondContact O-N 3Å; H387-N389 PolarHBondContact O-N 2.9Å; H387-N389 PolarHBondContact O-ND2 2.74Å; N389-Y391 HydrophobicContact CB-CD2 4.46Å; N389-Y391 HydrophobicContact CB-CE2 3.85Å; N389-K405 HydrophobicContact CB-CG 4.5Å; N389-K405 WeakPolarHBondContact OD1-CE 3.45Å; N389-K405 PolarHBondContact OD1-NZ 3.09Å |
| 390 | L | 82.7 | Confident | 74.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 130.3 | 175.3 | -178.6 | 64.6 | 0 | 0 | 0 | 109.8 | F334 L345 A383 F385 L406 Y447 | F334-L390 HydrophobicContact CZ-CD2 4.47Å; L345-L390 HydrophobicContact CD2-CD1 4.32Å; A383-L390 HydrophobicContact CB-CD1 3.96Å; F385-L390 HydrophobicContact CD1-CB 4.38Å; F385-L390 HydrophobicContact CD2-CD1 4.19Å; F385-L390 HydrophobicContact CE1-CB 3.95Å; F385-L390 HydrophobicContact CE1-CD1 4.31Å; F385-L390 HydrophobicContact CE2-CD1 3.84Å; F385-L390 HydrophobicContact CZ-CB 4.24Å; F385-L390 HydrophobicContact CZ-CD1 3.9Å; L390-L406 HydrophobicContact CB-CB 4.19Å; L390-L406 HydrophobicContact CD2-CB 4.41Å; L390-L406 HydrophobicContact CD2-CD1 3.79Å; L390-L406 HydrophobicContact CG-CB 4.45Å; L390-L406 HydrophobicContact CG-CD1 4.2Å; L390-L406 PolarHBondContact O-N 3Å; L390-Y447 HydrophobicContact CD2-CD2 3.93Å; L390-Y447 HydrophobicContact CD2-CE2 3.4Å |
| 391 | Y | 83.3 | Confident | 73.8 | Confident | 51 Ų | 51 | 32.6 Ų | 32.6 | 20% | 0.2 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.4 | 171.7 | -72.7 | -100.3 | 0 | 0 | 0 | 108.9 | A383 E384 R386 N389 M404 K405 | A383-Y391 CarbonylContact C-O 3.55Å; A383-Y391 WeakPolarHBondContact CA-O 3.48Å; E384-Y391 PolarHBondContact N-O 2.62Å; E384-Y391 PolarHBondContact O-N 2.91Å; R386-Y391 HydrophobicContact CB-CD2 3.79Å; R386-Y391 HydrophobicContact CB-CE2 3.74Å; R386-Y391 HydrophobicContact CG-CD2 3.69Å; R386-Y391 HydrophobicContact CG-CE2 4.1Å; R386-Y391 HydrophobicContact CG-CG 4.35Å; N389-Y391 HydrophobicContact CB-CD2 4.46Å; N389-Y391 HydrophobicContact CB-CE2 3.85Å; Y391-M404 WeakPolarHBondContact CA-O 3.15Å; Y391-K405 HydrophobicContact CD1-CB 4.2Å; Y391-K405 HydrophobicContact CE1-CB 3.81Å; Y391-K405 HydrophobicContact CE1-CD 4.43Å; Y391-K405 HydrophobicContact CE1-CG 4.05Å; Y391-K405 HydrophobicContact CE2-CG 4.35Å |
| 392 | L | 85.2 | Confident | 73.1 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 133.6 | 165.5 | -173.1 | 85.5 | 0 | 0 | 0 | 108.4 | I381 A383 I394 D403 M404 I421 I445 | I381-L392 HydrophobicContact CG2-CD1 4.26Å; A383-L392 HydrophobicContact CB-CD1 4.26Å; L392-I394 HydrophobicContact CD2-CD1 3.78Å; L392-I394 HydrophobicContact CD2-CG1 4.17Å; L392-I394 HydrophobicContact CG-CG1 4.45Å; L392-D403 WeakPolarHBondContact O-CA 3.41Å; L392-M404 HydrophobicContact CD2-CE 3.87Å; L392-M404 PolarHBondContact N-O 3.1Å; L392-M404 PolarHBondContact O-N 3.07Å; L392-I421 HydrophobicContact CD1-CD1 3.77Å; L392-I445 HydrophobicContact CD2-CD1 3.39Å; L392-I445 HydrophobicContact CD2-CG1 3.55Å |
| 393 | I | 80.4 | Confident | 72.2 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.8 | -179.9 | -60.3 | 116.5 | 0 | 0 | 0 | 108.9 | L380 I381 G382 E384 F402 I527 | L380-I393 HydrophobicContact CD1-CG2 4.33Å; I381-I393 WeakPolarHBondContact CA-O 3.34Å; G382-I393 PolarHBondContact N-O 2.91Å; G382-I393 PolarHBondContact O-N 3.38Å; E384-I393 HydrophobicContact CB-CD1 4.46Å; E384-I393 HydrophobicContact CG-CD1 3.8Å; I393-F402 WeakPolarHBondContact CA-O 3.42Å; I393-I527 HydrophobicContact CD1-CG1 4.39Å; I393-I527 HydrophobicContact CG2-CG1 4.21Å |
| 394 | I | 78.7 | Confident | 71.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 114.5 | 179.4 | -60 | 159.9 | 0 | 0 | 0 | 108 | I381 L392 W401 F402 I443 L471 F503 | I381-I394 HydrophobicContact CG1-CG1 4.3Å; L392-I394 HydrophobicContact CD2-CD1 3.78Å; L392-I394 HydrophobicContact CD2-CG1 4.17Å; L392-I394 HydrophobicContact CG-CG1 4.45Å; I394-W401 CarbonylContact O-C 3.51Å; I394-W401 WeakPolarHBondContact O-CA 3.34Å; I394-F402 HydrophobicContact CD1-CD1 4.13Å; I394-F402 PolarHBondContact N-O 3.08Å; I394-F402 PolarHBondContact O-N 2.82Å; I394-I443 HydrophobicContact CB-CD1 4.46Å; I394-I443 HydrophobicContact CD1-CD1 3.65Å; I394-I443 HydrophobicContact CG1-CD1 4.02Å; I394-I443 HydrophobicContact CG2-CD1 3.6Å; I394-L471 HydrophobicContact CG2-CD1 3.89Å; I394-F503 HydrophobicContact CG2-CE1 4.19Å; I394-F503 HydrophobicContact CG2-CZ 3.95Å |
| 395 | Q | 72.2 | Confident | 71.1 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.1 | 173.4 | -165.5 | 176 | -3.4 | 0 | 0 | 110.3 | L380 N397 W401 | L380-Q395 HydrophobicContact CD1-CB 4.28Å; L380-Q395 HydrophobicContact CD2-CB 3.87Å; L380-Q395 VanDerWaalsContact CD2-OE1 3.26Å; L380-Q395 HydrophobicContact CG-CB 3.68Å; L380-Q395 PolarHBondContact N-O 2.96Å; L380-Q395 PolarHBondContact O-N 2.8Å; Q395-N397 VanDerWaalsContact CG-O 3.23Å; Q395-N397 WeakPolarHBondContact CG-O 3.43Å; Q395-N397 PolarHBondContact NE2-O 2.8Å; Q395-W401 HydrophobicContact CB-CB 4.23Å; Q395-W401 HydrophobicContact CG-CB 4.17Å |
| 396 | K | 63.1 | Low | 70.7 | Confident | 23 Ų | 23 | 41.9 Ų | 41.9 | 10% | 0.1 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -44.8 | 173.3 | -173.8 | -171 | 177.2 | -172.8 | 0 | 111.6 | L379 I400 L439 W440 | L379-K396 VanDerWaalsContact CD2-O 3.29Å; L379-K396 WeakPolarHBondContact CD2-O 3.17Å; K396-I400 HydrophobicContact CB-CB 4.2Å; K396-I400 HydrophobicContact CB-CG2 4.1Å; K396-I400 PolarHBondContact N-O 2.87Å; K396-L439 WeakPolarHBondContact CE-O 3.24Å; K396-L439 PolarHBondContact NZ-O 3.2Å; K396-L439 VanDerWaalsContact NZ-O 3.16Å; K396-W440 HydrophobicContact CD-CD2 4.45Å; K396-W440 HydrophobicContact CD-CE3 3.95Å; K396-W440 HydrophobicContact CD-CH2 4.44Å; K396-W440 HydrophobicContact CD-CZ3 3.95Å; K396-W440 VanDerWaalsContact NZ-CZ2 3.3Å |
| 397 | N | 59.8 | Low | 70.3 | Confident | 54 Ų | 54 | 49.8 Ų | 49.8 | 29% | 0.289 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | -171.6 | -177.3 | 69.1 | 14.2 | 0 | 0 | 0 | 110.6 | Q395 Q399 I400 | Q395-N397 VanDerWaalsContact CG-O 3.23Å; Q395-N397 WeakPolarHBondContact CG-O 3.43Å; Q395-N397 PolarHBondContact NE2-O 2.8Å; N397-Q399 PolarHBondContact O-N 2.98Å; N397-Q399 PolarHBondContact OD1-N 2.89Å; N397-I400 PolarHBondContact O-N 2.77Å; N397-I400 WeakPolarHBondContact OD1-CB 3.36Å; N397-I400 WeakPolarHBondContact OD1-CG1 3.44Å; N397-I400 PolarHBondContact OD1-N 3.02Å |
| 398 | K | 51.5 | Low | 69.8 | Low | 99 Ų | 99 | 45.5 Ų | 45.5 | 43% | 0.43 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -15.6 | -179.4 | -61.1 | -176.9 | -178.5 | 177.8 | 0 | 115.8 | Y359 | Y359-K398 HydrophobicContact CE1-CB 4.29Å; Y359-K398 HydrophobicContact CE1-CD 4.48Å; Y359-K398 HydrophobicContact CE1-CG 4.05Å |
| 399 | Q | 51.4 | Low | 69.3 | Low | 136 Ų | 136 | 52.3 Ų | 52.3 | 64% | 0.636 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.9 | -10.6 | -175.9 | -66.7 | -175.8 | -4.9 | 0 | 0 | 114.3 | N397 | N397-Q399 PolarHBondContact O-N 2.98Å; N397-Q399 PolarHBondContact OD1-N 2.89Å |
| 400 | I | 54.9 | Low | 68 | Low | 11 Ų | 11 | 55.2 Ų | 55.2 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 107.6 | -169.5 | -57.2 | 177.4 | 0 | 0 | 0 | 109.3 | K396 N397 N469 | K396-I400 HydrophobicContact CB-CB 4.2Å; K396-I400 HydrophobicContact CB-CG2 4.1Å; K396-I400 PolarHBondContact N-O 2.87Å; N397-I400 PolarHBondContact O-N 2.77Å; N397-I400 WeakPolarHBondContact OD1-CB 3.36Å; N397-I400 WeakPolarHBondContact OD1-CG1 3.44Å; N397-I400 PolarHBondContact OD1-N 3.02Å; I400-N469 HydrophobicContact CD1-CB 4.01Å; I400-N469 WeakPolarHBondContact CD1-O 3.01Å; I400-N469 HydrophobicContact CG1-CB 4.27Å; I400-N469 WeakPolarHBondContact CG1-O 3.5Å; I400-N469 WeakPolarHBondContact CG2-O 3.43Å |
| 401 | W | 64.5 | Low | 66.2 | Low | 84 Ų | 84 | 62 Ų | 62 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 162.8 | 164.3 | 65.6 | 91.8 | 0 | 0 | 0 | 111.4 | I394 Q395 P525 | I394-W401 CarbonylContact O-C 3.51Å; I394-W401 WeakPolarHBondContact O-CA 3.34Å; Q395-W401 HydrophobicContact CB-CB 4.23Å; Q395-W401 HydrophobicContact CG-CB 4.17Å; W401-P525 HydrophobicContact CD2-CB 3.82Å; W401-P525 HydrophobicContact CE3-CB 3.44Å; W401-P525 VanDerWaalsContact CE3-CB 3.44Å; W401-P525 HydrophobicContact CE3-CG 4.2Å; W401-P525 HydrophobicContact CH2-CB 3.55Å; W401-P525 HydrophobicContact CH2-CG 4.47Å; W401-P525 HydrophobicContact CZ2-CB 3.93Å; W401-P525 HydrophobicContact CZ3-CB 3.3Å; W401-P525 HydrophobicContact CZ3-CG 3.94Å |
| 402 | F | 68.4 | Low | 64.4 | Low | 49 Ų | 49 | 66.1 Ų | 66.1 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 117.4 | -176.7 | 176.1 | -109.2 | 0 | 0 | 0 | 110.1 | I393 I394 M404 V457 L471 | I393-F402 WeakPolarHBondContact CA-O 3.42Å; I394-F402 HydrophobicContact CD1-CD1 4.13Å; I394-F402 PolarHBondContact N-O 3.08Å; I394-F402 PolarHBondContact O-N 2.82Å; F402-M404 HydrophobicContact CD1-CB 4.33Å; F402-M404 HydrophobicContact CE1-CB 3.77Å; F402-M404 HydrophobicContact CE1-CE 3.74Å; F402-M404 HydrophobicContact CE1-CG 4.19Å; F402-M404 HydrophobicContact CE1-SD 3.54Å; F402-M404 VanDerWaalsContact CE1-SD 3.54Å; F402-M404 HydrophobicContact CZ-CB 4.17Å; F402-M404 HydrophobicContact CZ-CG 4.33Å; F402-M404 HydrophobicContact CZ-SD 3.76Å; F402-V457 HydrophobicContact CD1-CG1 4.39Å; F402-V457 HydrophobicContact CE1-CG1 4.2Å; F402-V457 HydrophobicContact CE1-CG2 3.96Å; F402-L471 HydrophobicContact CB-CB 4.49Å; F402-L471 HydrophobicContact CB-CD1 4.44Å |
| 403 | D | 67.9 | Low | 62.7 | Low | 54 Ų | 54 | 73.5 Ų | 73.5 | 29% | 0.289 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 119 | 179.1 | -79.5 | 23.6 | 0 | 0 | 0 | 109.7 | R386 L392 | R386-D403 IonicContact CZ-OD2 3.71Å; R386-D403 IonicContact NH1-OD2 3.96Å; R386-D403 PolarHBondContact NH1-OD2 2.8Å; R386-D403 IonicContact NH2-OD2 2.71Å; R386-D403 PolarHBondContact NH2-OD2 2.86Å; L392-D403 WeakPolarHBondContact O-CA 3.41Å |
| 404 | M | 73.8 | Confident | 61.3 | Low | 13 Ų | 13 | 84.6 Ų | 84.6 | 6% | 0.064 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 117 | -174.7 | -172 | 158.3 | 52.4 | 0 | 0 | 111.8 | Y391 L392 F402 I445 M455 V457 | Y391-M404 WeakPolarHBondContact CA-O 3.15Å; L392-M404 HydrophobicContact CD2-CE 3.87Å; L392-M404 PolarHBondContact N-O 3.1Å; L392-M404 PolarHBondContact O-N 3.07Å; F402-M404 HydrophobicContact CD1-CB 4.33Å; F402-M404 HydrophobicContact CE1-CB 3.77Å; F402-M404 HydrophobicContact CE1-CE 3.74Å; F402-M404 HydrophobicContact CE1-CG 4.19Å; F402-M404 HydrophobicContact CE1-SD 3.54Å; F402-M404 VanDerWaalsContact CE1-SD 3.54Å; F402-M404 HydrophobicContact CZ-CB 4.17Å; F402-M404 HydrophobicContact CZ-CG 4.33Å; F402-M404 HydrophobicContact CZ-SD 3.76Å; M404-I445 HydrophobicContact CE-CD1 3.71Å; M404-M455 HydrophobicContact CE-CE 3.51Å; M404-M455 HydrophobicContact CE-SD 4.26Å; M404-M455 HydrophobicContact CG-CE 3.99Å; M404-M455 HydrophobicContact CG-SD 4.32Å; M404-M455 HydrophobicContact SD-CE 3.44Å; M404-M455 WeakPolarHBondContact SD-CE 3.39Å; M404-M455 HydrophobicContact SD-CG 4.2Å; M404-M455 HydrophobicContact SD-SD 3.49Å; M404-V457 HydrophobicContact CE-CG2 3.86Å; M404-V457 HydrophobicContact SD-CG2 4.33Å |
| 405 | K | 76.3 | Confident | 60.5 | Low | 76 Ų | 76 | 87.9 Ų | 87.9 | 33% | 0.33 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 118.1 | -176.5 | -172 | -178.7 | -178 | 174.2 | 0 | 111.6 | N389 Y391 | N389-K405 HydrophobicContact CB-CG 4.5Å; N389-K405 WeakPolarHBondContact OD1-CE 3.45Å; N389-K405 PolarHBondContact OD1-NZ 3.09Å; Y391-K405 HydrophobicContact CD1-CB 4.2Å; Y391-K405 HydrophobicContact CE1-CB 3.81Å; Y391-K405 HydrophobicContact CE1-CD 4.43Å; Y391-K405 HydrophobicContact CE1-CG 4.05Å; Y391-K405 HydrophobicContact CE2-CG 4.35Å |
| 406 | L | 73.9 | Confident | 60.6 | Low | 13 Ų | 13 | 92.2 Ų | 92.2 | 7% | 0.068 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 129 | 172.7 | -66.6 | 170 | 0 | 0 | 0 | 110 | L390 T408 L419 Y447 M455 | L390-L406 HydrophobicContact CB-CB 4.19Å; L390-L406 HydrophobicContact CD2-CB 4.41Å; L390-L406 HydrophobicContact CD2-CD1 3.79Å; L390-L406 HydrophobicContact CG-CB 4.45Å; L390-L406 HydrophobicContact CG-CD1 4.2Å; L390-L406 PolarHBondContact O-N 3Å; L406-T408 PolarHBondContact O-N 3.3Å; L406-L419 HydrophobicContact CD1-CD1 4.08Å; L406-Y447 HydrophobicContact CB-CD1 3.9Å; L406-Y447 HydrophobicContact CB-CE1 4.14Å; L406-Y447 HydrophobicContact CB-CG 4.34Å; L406-Y447 HydrophobicContact CD1-CD1 4.42Å; L406-Y447 HydrophobicContact CD1-CD2 4.26Å; L406-Y447 HydrophobicContact CD1-CG 4.02Å; L406-Y447 HydrophobicContact CD2-CD1 4.43Å; L406-Y447 HydrophobicContact CD2-CG 4.4Å; L406-Y447 HydrophobicContact CG-CD1 4.49Å; L406-Y447 HydrophobicContact CG-CG 4.5Å; L406-M455 HydrophobicContact CD2-CE 3.58Å |
| 407 | Y | 66.9 | Low | 61.4 | Low | 182 Ų | 182 | 92.3 Ų | 92.3 | 71% | 0.714 | 43% | 0.43 | S | S | * | . | trans | -86.4 | 108.6 | -175.7 | -72.3 | -91.7 | 0 | 0 | 0 | 111.9 | ||||
| 408 | T | 63.7 | Low | 62.6 | Low | 26 Ų | 26 | 91.7 Ų | 91.7 | 16% | 0.16 | 43% | 0.425 | C | S | . | . | trans | -69.6 | 122.6 | 171.3 | 50.1 | 0 | 0 | 0 | 0 | 111.3 | F385 N388 L406 S410 Y447 | F385-T408 HydrophobicContact CE1-CG2 4.31Å; N388-T408 PolarHBondContact O-OG1 2.87Å; L406-T408 PolarHBondContact O-N 3.3Å; T408-S410 PolarHBondContact O-N 2.91Å; T408-S410 VanDerWaalsContact O-N 3.17Å; T408-Y447 WeakPolarHBondContact CG2-OH 3.48Å | ||
| 409 | R | 60.1 | Low | 64.4 | Low | 187 Ų | 187 | 87 Ų | 87 | 71% | 0.706 | 40% | 0.404 | S | S | * | . | trans | -69.3 | 108 | 169 | -77.6 | -178.6 | 173.1 | 147.9 | 0.2 | 109.9 | N411 S450 | R409-N411 VanDerWaalsContact C-N 3.31Å; R409-N411 PolarHBondContact O-N 2.89Å; R409-N411 VanDerWaalsContact O-N 3.11Å; R409-S450 PolarHBondContact NH1-OG 2.92Å | ||
| 410 | S | 48.4 | Very low | 66.1 | Low | 97 Ų | 97 | 82.8 Ų | 82.8 | 68% | 0.678 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -4.3 | -162 | 53.5 | 0 | 0 | 0 | 0 | 118 | T408 | T408-S410 PolarHBondContact O-N 2.91Å; T408-S410 VanDerWaalsContact O-N 3.17Å |
| 411 | N | 46 | Very low | 67.7 | Low | 143 Ų | 143 | 82.4 Ų | 82.4 | 77% | 0.765 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | 9.3 | -154.2 | -71.9 | 10.3 | 0 | 0 | 0 | 116.7 | R409 | R409-N411 VanDerWaalsContact C-N 3.31Å; R409-N411 PolarHBondContact O-N 2.89Å; R409-N411 VanDerWaalsContact O-N 3.11Å |
| 412 | Q | 46.2 | Very low | 68.6 | Low | 137 Ų | 137 | 81.1 Ų | 81.1 | 64% | 0.64 | 38% | 0.379 | S | S | * | . | trans | -136.4 | 106.6 | 176.9 | -72.7 | -173.2 | -20.8 | 0 | 0 | 113.7 | R414 N415 | Q412-R414 PolarHBondContact O-N 3.05Å; Q412-N415 PolarHBondContact OE1-ND2 3.17Å; Q412-N415 PolarHBondContact OE1-OD1 3.17Å | ||
| 413 | L | 48.6 | Very low | 69.3 | Low | 155 Ų | 155 | 79 Ų | 79 | 81% | 0.812 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 20.2 | 178.9 | -82 | 159.7 | 0 | 0 | 0 | 115.6 | A338 | A338-L413 HydrophobicContact CB-CD2 4.2Š|
| 414 | R | 51.3 | Low | 69.6 | Low | 233 Ų | 233 | 76.6 Ų | 76.6 | 88% | 0.879 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.6 | -5.8 | -168.6 | -70.9 | -170.5 | 174.7 | -173.9 | -1.4 | 116 | Q412 | Q412-R414 PolarHBondContact O-N 3.05Š|
| 415 | N | 62.6 | Low | 69.5 | Low | 70 Ų | 70 | 76.6 Ų | 76.6 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 132.7 | -166.5 | -61.1 | 7.7 | 0 | 0 | 0 | 110.9 | Q412 | Q412-N415 PolarHBondContact OE1-ND2 3.17Å; Q412-N415 PolarHBondContact OE1-OD1 3.17Å |
| 416 | I | 73.1 | Confident | 69.1 | Low | 95 Ų | 95 | 73.1 Ų | 73.1 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 119.1 | 166.6 | -60.6 | 173.6 | 0 | 0 | 0 | 106.3 | Q333 F334 | Q333-I416 HydrophobicContact CB-CG2 4.05Å; F334-I416 CarbonylContact O-C 3.54Å |
| 417 | H | 80.5 | Confident | 68.5 | Low | 25 Ų | 25 | 75.4 Ų | 75.4 | 12% | 0.116 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 143.5 | 175.7 | -61.4 | -68.9 | 0 | 0 | 0 | 110.4 | Q333 F334 Y336 | Q333-H417 WeakPolarHBondContact CA-O 3.45Å; F334-H417 HydrophobicContact CD1-CB 4.47Å; F334-H417 HydrophobicContact CD2-CB 4.49Å; F334-H417 HydrophobicContact CE1-CB 4.03Å; F334-H417 HydrophobicContact CE2-CB 4.03Å; F334-H417 HydrophobicContact CZ-CB 3.79Å; F334-H417 PolarHBondContact N-O 3.46Å; F334-H417 PolarHBondContact O-N 3.11Å; Y336-H417 AromaticContact CD1-CD2 3.99Å; Y336-H417 AromaticContact CE1-CD2 3.94Å; Y336-H417 AromaticContact CE1-NE2 3.66Å |
| 418 | K | 85.8 | Confident | 68.2 | Low | 41 Ų | 41 | 69 Ų | 69 | 18% | 0.178 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133 | 165.2 | -88.3 | 162.7 | 170.3 | -93.9 | 0 | 109.8 | E331 Q333 D448 D449 | E331-K418 WeakPolarHBondContact OE1-CE 3.4Å; E331-K418 IonicContact OE1-NZ 2.71Å; E331-K418 PolarHBondContact OE1-NZ 2.89Å; E331-K418 IonicContact OE2-NZ 3.92Å; Q333-K418 HydrophobicContact CG-CG 3.89Å; K418-D448 PolarHBondContact O-N 2.95Å; K418-D449 VanDerWaalsContact CD-CG 3.43Å; K418-D449 WeakPolarHBondContact CD-OD1 3.41Å; K418-D449 WeakPolarHBondContact CD-OD2 3.39Å; K418-D449 VanDerWaalsContact CE-OD2 3.26Å; K418-D449 WeakPolarHBondContact CE-OD2 3.26Å; K418-D449 IonicContact NZ-OD1 3.78Å |
| 419 | L | 88.5 | Confident | 67.8 | Low | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.6 | 159 | -180 | 61 | 0 | 0 | 0 | 107.7 | E331 I332 F334 L345 F346 A383 L406 I421 I445 Y447 | E331-L419 WeakPolarHBondContact CA-O 3.37Å; I332-L419 PolarHBondContact N-O 2.93Å; I332-L419 PolarHBondContact O-N 3.37Å; F334-L419 HydrophobicContact CE1-CB 4.26Å; L345-L419 HydrophobicContact CD2-CD2 4.39Å; F346-L419 HydrophobicContact CE1-CD2 3.77Å; A383-L419 HydrophobicContact CB-CD2 4.16Å; L406-L419 HydrophobicContact CD1-CD1 4.08Å; L419-I421 HydrophobicContact CD1-CG1 4.3Å; L419-I421 HydrophobicContact CD2-CD1 4.08Å; L419-I421 HydrophobicContact CG-CD1 4.1Å; L419-I421 HydrophobicContact CG-CG1 4.11Å; L419-I445 HydrophobicContact CD1-CG2 3.79Å; L419-Y447 HydrophobicContact CB-CD2 4.42Å; L419-Y447 HydrophobicContact CD1-CD2 4.03Å |
| 420 | H | 88 | Confident | 67.5 | Low | 46 Ų | 46 | 68 Ų | 68 | 21% | 0.213 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 120.4 | -179.7 | -119.1 | -120.3 | 0 | 0 | 0 | 107.8 | E331 I445 N446 W454 | E331-H420 IonicContact OE1-NE2 2.74Å; E331-H420 IonicContact OE2-CD2 3.01Å; E331-H420 IonicContact OE2-CE1 2.74Å; E331-H420 IonicContact OE2-NE2 2.56Å; E331-H420 PolarHBondContact OE2-NE2 2.68Å; H420-I445 CarbonylContact O-C 3.55Å; H420-I445 WeakPolarHBondContact O-CA 3.48Å; H420-N446 HydrophobicContact CB-CB 3.98Å; H420-N446 PolarHBondContact N-O 3.22Å; H420-N446 PolarHBondContact O-N 3.04Å; H420-W454 HydrophobicContact CB-CH2 3.71Å; H420-W454 HydrophobicContact CB-CZ3 4.14Å; H420-W454 AromaticContact CG-CH2 3.96Å; H420-W454 AromaticContact ND1-CH2 3.39Å; H420-W454 WeakPolarHBondContact ND1-CH2 3.41Å; H420-W454 AromaticContact ND1-CZ2 3.77Å |
| 421 | I | 87.3 | Confident | 67.6 | Low | 3 Ų | 3 | 71.8 Ų | 71.8 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 131.9 | -179.2 | -59.3 | 170.4 | 0 | 0 | 0 | 107.6 | N329 I330 F346 I381 L392 L419 I443 K444 I445 | N329-I421 CarbonylContact C-O 3.56Å; N329-I421 WeakPolarHBondContact CA-O 2.8Å; I330-I421 PolarHBondContact N-O 3.22Å; I330-I421 PolarHBondContact O-N 3.2Å; F346-I421 HydrophobicContact CE1-CD1 4Å; F346-I421 HydrophobicContact CZ-CD1 3.52Å; I381-I421 HydrophobicContact CG2-CD1 4.29Å; L392-I421 HydrophobicContact CD1-CD1 3.77Å; L419-I421 HydrophobicContact CD1-CG1 4.3Å; L419-I421 HydrophobicContact CD2-CD1 4.08Å; L419-I421 HydrophobicContact CG-CD1 4.1Å; L419-I421 HydrophobicContact CG-CG1 4.11Å; I421-I443 HydrophobicContact CG2-CG2 4.2Å; I421-K444 CarbonylContact C-O 3.59Å; I421-K444 WeakPolarHBondContact CA-O 3.26Å; I421-I445 HydrophobicContact CG1-CG1 4.2Å; I421-I445 HydrophobicContact CG1-CG2 4.49Å; I421-I445 HydrophobicContact CG2-CG1 4.43Å |
| 422 | K | 84 | Confident | 67.8 | Low | 58 Ų | 58 | 71.8 Ų | 71.8 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.3 | 169.1 | -56.6 | -170.5 | 173.1 | -142.7 | 0 | 108.2 | W327 I328 N329 I443 K444 W454 | W327-K422 HydrophobicContact CD2-CB 4.41Å; W327-K422 HydrophobicContact CE3-CB 3.67Å; W327-K422 HydrophobicContact CZ3-CB 4.19Å; I328-K422 CarbonylContact O-C 3.53Å; I328-K422 VanDerWaalsContact O-CA 3.27Å; I328-K422 WeakPolarHBondContact O-CA 3.36Å; N329-K422 HydrophobicContact CB-CG 4.4Å; N329-K422 WeakPolarHBondContact OD1-CD 3.21Å; N329-K422 WeakPolarHBondContact OD1-CE 3.27Å; N329-K422 VanDerWaalsContact OD1-CG 3.23Å; N329-K422 WeakPolarHBondContact OD1-CG 3.19Å; N329-K422 PolarHBondContact OD1-NZ 3.48Å; K422-I443 CarbonylContact O-C 3.55Å; K422-I443 VanDerWaalsContact O-CA 3.3Å; K422-I443 WeakPolarHBondContact O-CA 3.34Å; K422-I443 WeakPolarHBondContact O-CG2 3.38Å; K422-K444 HydrophobicContact CB-CB 4.19Å; K422-K444 HydrophobicContact CB-CG 4.26Å; K422-K444 PolarHBondContact N-O 3.49Å; K422-K444 PolarHBondContact O-N 3.17Å; K422-W454 HydrophobicContact CB-CZ3 4.44Å; K422-W454 HydrophobicContact CD-CH2 3.75Å; K422-W454 HydrophobicContact CD-CZ2 4.15Å; K422-W454 HydrophobicContact CD-CZ3 4.05Å; K422-W454 HydrophobicContact CG-CH2 3.66Å; K422-W454 HydrophobicContact CG-CZ3 3.68Å |
| 423 | Y | 82 | Confident | 67.7 | Low | 3 Ų | 3 | 70 Ų | 70 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 156.3 | 171.3 | 70.8 | -97.8 | 0 | 0 | 0 | 112.9 | W327 I328 I330 L348 I381 L442 W502 F503 | W327-Y423 VanDerWaalsContact CE3-C 3.49Å; I328-Y423 HydrophobicContact CB-CD1 4.28Å; I328-Y423 HydrophobicContact CB-CD2 4.37Å; I328-Y423 HydrophobicContact CB-CE1 3.97Å; I328-Y423 HydrophobicContact CB-CE2 4.07Å; I328-Y423 HydrophobicContact CB-CG 4.5Å; I328-Y423 HydrophobicContact CD1-CE2 3.79Å; I328-Y423 HydrophobicContact CG1-CE2 4.27Å; I328-Y423 HydrophobicContact CG2-CE1 3.83Å; I328-Y423 PolarHBondContact N-O 3.34Å; I328-Y423 PolarHBondContact O-N 3.31Å; I330-Y423 HydrophobicContact CD1-CE1 3.99Å; L348-Y423 HydrophobicContact CD2-CE1 4.29Å; I381-Y423 HydrophobicContact CD1-CD1 3.95Å; I381-Y423 HydrophobicContact CD1-CG 4.23Å; Y423-L442 CarbonylContact C-O 3.45Å; Y423-L442 WeakPolarHBondContact CA-O 3.39Å; Y423-W502 HydrophobicContact CE2-CB 4.37Å; Y423-F503 HydrophobicContact CD1-CD2 4.39Å; Y423-F503 AromaticContact CD2-CD2 3.62Å; Y423-F503 HydrophobicContact CD2-CD2 3.62Å; Y423-F503 HydrophobicContact CD2-CE2 4.4Å; Y423-F503 HydrophobicContact CE1-CB 4.2Å; Y423-F503 HydrophobicContact CE2-CB 4.06Å; Y423-F503 AromaticContact CE2-CD2 3.89Å; Y423-F503 HydrophobicContact CE2-CD2 3.89Å; Y423-F503 HydrophobicContact CE2-CG 4.46Å; Y423-F503 AromaticContact CG-CD2 3.86Å; Y423-F503 HydrophobicContact CG-CD2 3.86Å; Y423-F503 PolarHBondContact OH-N 3.16Å |
| 424 | T | 75.9 | Confident | 67.6 | Low | 4 Ų | 4 | 72.2 Ų | 72.2 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 163.9 | 169 | -166.1 | 0 | 0 | 0 | 0 | 109.3 | K326 W327 I426 L442 M483 | K326-T424 WeakPolarHBondContact O-CB 3.42Å; K326-T424 PolarHBondContact O-OG1 3.34Å; W327-T424 HydrophobicContact CD2-CG2 4.09Å; W327-T424 HydrophobicContact CE3-CG2 4.08Å; W327-T424 HydrophobicContact CH2-CG2 4.09Å; W327-T424 HydrophobicContact CZ2-CG2 4.08Å; W327-T424 HydrophobicContact CZ3-CG2 4.07Å; T424-I426 HydrophobicContact CG2-CG2 4.24Å; T424-L442 HydrophobicContact CG2-CB 3.92Å; T424-L442 HydrophobicContact CG2-CD2 4.03Å; T424-L442 HydrophobicContact CG2-CG 4.47Å; T424-L442 PolarHBondContact N-O 3.31Å; T424-L442 PolarHBondContact O-N 2.73Å; T424-M483 HydrophobicContact CG2-SD 4.13Å |
| 425 | M | 70.4 | Confident | 67.2 | Low | 14 Ų | 14 | 65.1 Ų | 65.1 | 7% | 0.069 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134.7 | 176 | -63.3 | -57.7 | -70.6 | 0 | 0 | 109.5 | L379 L439 P441 Y493 L501 F503 | L379-M425 HydrophobicContact CD1-CE 4.22Å; L379-M425 HydrophobicContact CD2-CE 4.46Å; M425-L439 HydrophobicContact CB-CD2 3.9Å; M425-L439 HydrophobicContact CE-CB 4.26Å; M425-L439 HydrophobicContact CE-CD2 4.47Å; M425-P441 HydrophobicContact CE-CB 4.28Å; M425-P441 VanDerWaalsContact SD-CA 3.58Å; M425-P441 HydrophobicContact SD-CB 3.75Å; M425-Y493 PolarHBondContact O-OH 3.21Å; M425-Y493 VanDerWaalsContact O-OH 3.11Å; M425-L501 HydrophobicContact CE-CD2 3.81Å; M425-L501 HydrophobicContact CG-CD2 4.17Å; M425-L501 VanDerWaalsContact CG-O 3.24Å; M425-L501 WeakPolarHBondContact CG-O 3.46Å; M425-F503 HydrophobicContact SD-CE2 4.16Å |
| 426 | I | 67.5 | Low | 66.4 | Low | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.015 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 139.6 | -179.3 | 68.4 | 176.1 | 0 | 0 | 0 | 110.9 | T424 L428 W440 L442 P459 L482 L486 | T424-I426 HydrophobicContact CG2-CG2 4.24Å; I426-L428 HydrophobicContact CD1-CD2 4.43Å; I426-W440 HydrophobicContact CG1-CB 4.12Å; I426-W440 WeakPolarHBondContact CG1-O 3.28Å; I426-W440 PolarHBondContact N-O 2.88Å; I426-W440 PolarHBondContact O-N 3.08Å; I426-L442 HydrophobicContact CD1-CB 4.33Å; I426-L442 HydrophobicContact CD1-CD1 4.37Å; I426-L442 HydrophobicContact CG2-CB 4.13Å; I426-L442 HydrophobicContact CG2-CD2 4.19Å; I426-P459 HydrophobicContact CD1-CG 3.99Å; I426-L482 HydrophobicContact CD1-CB 4.01Å; I426-L482 HydrophobicContact CD1-CD1 4.08Å; I426-L482 HydrophobicContact CD1-CD2 4.07Å; I426-L482 HydrophobicContact CD1-CG 4.28Å; I426-L486 HydrophobicContact CB-CD2 4.05Å; I426-L486 HydrophobicContact CG2-CD1 3.92Å; I426-L486 HydrophobicContact CG2-CD2 3.92Å; I426-L486 HydrophobicContact CG2-CG 4.14Å |
| 427 | W | 62.8 | Low | 65.4 | Low | 61 Ų | 61 | 65.6 Ų | 65.6 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 130.3 | 170.3 | -85.4 | 51.7 | 0 | 0 | 0 | 109.4 | D437 L439 V489 V492 I496 | W427-D437 HydrophobicContact CE3-CB 3.69Å; W427-D437 HydrophobicContact CH2-CB 4.04Å; W427-D437 HydrophobicContact CZ3-CB 3.32Å; W427-D437 VanDerWaalsContact CZ3-CG 3.45Å; W427-L439 VanDerWaalsContact CD1-CD2 3.43Å; W427-L439 HydrophobicContact CG-CG 4.43Å; W427-L439 HydrophobicContact CZ2-CD1 4.29Å; W427-V489 HydrophobicContact CB-CG1 4.22Å; W427-V489 HydrophobicContact CB-CG2 4.44Å; W427-V489 HydrophobicContact CD2-CG1 4.3Å; W427-V489 HydrophobicContact CG-CG1 4.05Å; W427-V492 HydrophobicContact CH2-CG1 4.39Å; W427-V492 HydrophobicContact CZ2-CG1 4.37Å; W427-I496 HydrophobicContact CZ2-CD1 3.6Å |
| 428 | L | 60.2 | Low | 64.3 | Low | 48 Ų | 48 | 67.3 Ų | 67.3 | 25% | 0.251 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 104.8 | 165.8 | -65 | -171.3 | 0 | 0 | 0 | 109.5 | I426 N438 W440 P459 L482 | I426-L428 HydrophobicContact CD1-CD2 4.43Å; L428-N438 PolarHBondContact N-O 3.08Å; L428-W440 HydrophobicContact CD1-CG 4.05Å; L428-W440 HydrophobicContact CG-CG 4.32Å; L428-P459 HydrophobicContact CD1-CB 3.68Å; L428-P459 HydrophobicContact CD1-CG 3.93Å; L428-P459 HydrophobicContact CD2-CG 4.42Å; L428-L482 HydrophobicContact CD2-CD2 4.13Å |
| 429 | I | 55.5 | Low | 63.2 | Low | 110 Ų | 110 | 66 Ų | 66 | 56% | 0.564 | 34% | 0.336 | S | S | * | . | trans | -75.5 | 123.7 | 166.3 | -55.4 | 172.9 | 0 | 0 | 0 | 106.8 | ||||
| 430 | N | 53.7 | Low | 62.3 | Low | 80 Ų | 80 | 67.1 Ų | 67.1 | 43% | 0.428 | 34% | 0.34 | S | S | . | . | trans | -98.3 | 102.2 | -179.8 | -171.4 | -1.8 | 0 | 0 | 0 | 109.8 | N432 N433 | N430-N432 PolarHBondContact O-N 2.94Å; N430-N433 PolarHBondContact O-N 3.08Å | ||
| 431 | E | 49.9 | Very low | 61.7 | Low | 177 Ų | 177 | 65 Ų | 65 | 83% | 0.827 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -23.2 | -172.5 | -63.6 | -178.7 | 164.6 | 0 | 0 | 114.3 | ||
| 432 | N | 50.7 | Low | 61.3 | Low | 144 Ų | 144 | 64.9 Ų | 64.9 | 77% | 0.77 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -3.9 | -179 | -67.6 | -46 | 0 | 0 | 0 | 115.2 | N430 | N430-N432 PolarHBondContact O-N 2.94Š|
| 433 | N | 44.2 | Very low | 61.4 | Low | 100 Ų | 100 | 62.2 Ų | 62.2 | 54% | 0.535 | 32% | 0.318 | S | S | . | . | trans | -150.6 | 104.6 | 177.5 | -90.9 | -42.5 | 0 | 0 | 0 | 111.7 | N430 S435 | N430-N433 PolarHBondContact O-N 3.08Å; N433-S435 PolarHBondContact O-N 2.91Å | ||
| 434 | H | 45.7 | Very low | 61.6 | Low | 201 Ų | 201 | 63.9 Ų | 63.9 | 93% | 0.931 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 30.3 | -179.4 | -71.3 | -72.7 | 0 | 0 | 0 | 115.8 | ||
| 435 | S | 42.6 | Very low | 62.1 | Low | 84 Ų | 84 | 63.9 Ų | 63.9 | 59% | 0.587 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.9 | 0.7 | -168.4 | 60.4 | 0 | 0 | 0 | 0 | 116.8 | N433 | N433-S435 PolarHBondContact O-N 2.91Š|
| 436 | L | 46.1 | Very low | 62.8 | Low | 89 Ų | 89 | 64.1 Ų | 64.1 | 47% | 0.466 | 33% | 0.327 | S | S | . | . | trans | -138.4 | 57.2 | -175.2 | -96.5 | 166.8 | 0 | 0 | 0 | 113 | N438 | L436-N438 PolarHBondContact O-N 3.18Å; L436-N438 PolarHBondContact O-ND2 2.94Å | ||
| 437 | D | 52.1 | Low | 63.2 | Low | 86 Ų | 86 | 65 Ų | 65 | 46% | 0.46 | 33% | 0.33 | S | S | . | . | trans | -55.3 | 124 | 164.6 | -75.6 | -49.9 | 0 | 0 | 0 | 110.8 | W427 | W427-D437 HydrophobicContact CE3-CB 3.69Å; W427-D437 HydrophobicContact CH2-CB 4.04Å; W427-D437 HydrophobicContact CZ3-CB 3.32Å; W427-D437 VanDerWaalsContact CZ3-CG 3.45Å | ||
| 438 | N | 57.1 | Low | 63.6 | Low | 60 Ų | 60 | 64.6 Ų | 64.6 | 32% | 0.321 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 131.3 | -175.8 | -91.1 | -89.6 | 0 | 0 | 0 | 112.1 | L428 L436 | L428-N438 PolarHBondContact N-O 3.08Å; L436-N438 PolarHBondContact O-N 3.18Å; L436-N438 PolarHBondContact O-ND2 2.94Å |
| 439 | L | 63.4 | Low | 63.7 | Low | 15 Ų | 15 | 67.6 Ų | 67.6 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 139.8 | 170.7 | -83 | 135 | 0 | 0 | 0 | 111.7 | L375 K396 M425 W427 L501 | L375-L439 HydrophobicContact CD1-CD1 3.92Å; K396-L439 WeakPolarHBondContact CE-O 3.24Å; K396-L439 PolarHBondContact NZ-O 3.2Å; K396-L439 VanDerWaalsContact NZ-O 3.16Å; M425-L439 HydrophobicContact CB-CD2 3.9Å; M425-L439 HydrophobicContact CE-CB 4.26Å; M425-L439 HydrophobicContact CE-CD2 4.47Å; W427-L439 VanDerWaalsContact CD1-CD2 3.43Å; W427-L439 HydrophobicContact CG-CG 4.43Å; W427-L439 HydrophobicContact CZ2-CD1 4.29Å; L439-L501 HydrophobicContact CD1-CD1 3.35Å; L439-L501 HydrophobicContact CD1-CD2 4.27Å; L439-L501 HydrophobicContact CD1-CG 4.45Å; L439-L501 HydrophobicContact CD2-CD1 3.91Å; L439-L501 HydrophobicContact CD2-CD2 4.12Å; L439-L501 HydrophobicContact CG-CD1 4.22Å |
| 440 | W | 70.2 | Confident | 64 | Low | 24 Ų | 24 | 65.2 Ų | 65.2 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 136.8 | 178.2 | -78.4 | 89.1 | 0 | 0 | 0 | 110.5 | K396 I426 L428 P459 L471 | K396-W440 HydrophobicContact CD-CD2 4.45Å; K396-W440 HydrophobicContact CD-CE3 3.95Å; K396-W440 HydrophobicContact CD-CH2 4.44Å; K396-W440 HydrophobicContact CD-CZ3 3.95Å; K396-W440 VanDerWaalsContact NZ-CZ2 3.3Å; I426-W440 HydrophobicContact CG1-CB 4.12Å; I426-W440 WeakPolarHBondContact CG1-O 3.28Å; I426-W440 PolarHBondContact N-O 2.88Å; I426-W440 PolarHBondContact O-N 3.08Å; L428-W440 HydrophobicContact CD1-CG 4.05Å; L428-W440 HydrophobicContact CG-CG 4.32Å; W440-P459 HydrophobicContact CB-CB 4.23Å; W440-P459 HydrophobicContact CB-CG 4.43Å; W440-P459 HydrophobicContact CD2-CB 3.78Å; W440-P459 HydrophobicContact CE3-CB 3.88Å; W440-P459 HydrophobicContact CG-CB 3.97Å; W440-L471 HydrophobicContact CE3-CD2 3.8Å; W440-L471 HydrophobicContact CZ3-CD2 3.89Å |
| 441 | P | 74.3 | Confident | 64.3 | Low | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 140.8 | 171.8 | 31.9 | -34.1 | 0 | 0 | 0 | 111.1 | M425 I443 L471 F503 | M425-P441 HydrophobicContact CE-CB 4.28Å; M425-P441 VanDerWaalsContact SD-CA 3.58Å; M425-P441 HydrophobicContact SD-CB 3.75Å; P441-I443 HydrophobicContact CB-CD1 4.13Å; P441-I443 HydrophobicContact CB-CG1 4.27Å; P441-L471 HydrophobicContact CG-CD1 4.1Å; P441-L471 HydrophobicContact CG-CD2 3.91Å; P441-F503 HydrophobicContact CB-CE2 3.48Å; P441-F503 VanDerWaalsContact CB-CE2 3.48Å; P441-F503 HydrophobicContact CB-CZ 3.43Å; P441-F503 VanDerWaalsContact CB-CZ 3.43Å; P441-F503 HydrophobicContact CG-CE2 4.48Å; P441-F503 HydrophobicContact CG-CZ 3.97Å |
| 442 | L | 79.8 | Confident | 64.9 | Low | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 119.7 | 171.2 | -172 | 75.9 | 0 | 0 | 0 | 107.2 | W327 Y423 T424 I426 I474 E479 L482 M483 | W327-L442 HydrophobicContact CH2-CB 4.46Å; W327-L442 HydrophobicContact CH2-CD2 3.78Å; W327-L442 HydrophobicContact CH2-CG 3.84Å; W327-L442 HydrophobicContact CZ2-CD2 3.87Å; W327-L442 HydrophobicContact CZ2-CG 4.44Å; W327-L442 VanDerWaalsContact CZ3-O 3.32Å; W327-L442 WeakPolarHBondContact CZ3-O 3.07Å; Y423-L442 CarbonylContact C-O 3.45Å; Y423-L442 WeakPolarHBondContact CA-O 3.39Å; T424-L442 HydrophobicContact CG2-CB 3.92Å; T424-L442 HydrophobicContact CG2-CD2 4.03Å; T424-L442 HydrophobicContact CG2-CG 4.47Å; T424-L442 PolarHBondContact N-O 3.31Å; T424-L442 PolarHBondContact O-N 2.73Å; I426-L442 HydrophobicContact CD1-CB 4.33Å; I426-L442 HydrophobicContact CD1-CD1 4.37Å; I426-L442 HydrophobicContact CG2-CB 4.13Å; I426-L442 HydrophobicContact CG2-CD2 4.19Å; L442-I474 HydrophobicContact CD1-CD1 3.6Å; L442-E479 HydrophobicContact CD2-CG 4.11Å; L442-L482 HydrophobicContact CD1-CD1 3.95Å; L442-M483 HydrophobicContact CD2-CG 4Å; L442-M483 HydrophobicContact CD2-SD 3.61Å |
| 443 | I | 85 | Confident | 65.7 | Low | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 138.1 | -165.8 | -54.7 | 169.8 | 0 | 0 | 0 | 109.7 | I381 I394 I421 K422 P441 I445 T456 V457 F503 | I381-I443 HydrophobicContact CD1-CD1 3.99Å; I394-I443 HydrophobicContact CB-CD1 4.46Å; I394-I443 HydrophobicContact CD1-CD1 3.65Å; I394-I443 HydrophobicContact CG1-CD1 4.02Å; I394-I443 HydrophobicContact CG2-CD1 3.6Å; I421-I443 HydrophobicContact CG2-CG2 4.2Å; K422-I443 CarbonylContact O-C 3.55Å; K422-I443 VanDerWaalsContact O-CA 3.3Å; K422-I443 WeakPolarHBondContact O-CA 3.34Å; K422-I443 WeakPolarHBondContact O-CG2 3.38Å; P441-I443 HydrophobicContact CB-CD1 4.13Å; P441-I443 HydrophobicContact CB-CG1 4.27Å; I443-I445 HydrophobicContact CG2-CD1 3.59Å; I443-I445 HydrophobicContact CG2-CG1 4.18Å; I443-T456 CarbonylContact O-C 3.56Å; I443-T456 WeakPolarHBondContact O-CA 3.43Å; I443-V457 HydrophobicContact CB-CB 4.49Å; I443-V457 PolarHBondContact N-O 3.03Å; I443-V457 PolarHBondContact O-N 3.3Å; I443-F503 HydrophobicContact CD1-CE2 3.82Å; I443-F503 HydrophobicContact CD1-CZ 3.96Å; I443-F503 HydrophobicContact CG1-CE2 4.28Å |
| 444 | K | 86 | Confident | 67.4 | Low | 39 Ų | 39 | 64.7 Ų | 64.7 | 17% | 0.17 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 139.4 | 166.5 | -34.3 | -159.9 | -173.5 | -155.4 | 0 | 109.6 | W327 I421 K422 W454 M455 T456 E479 | W327-K444 HydrophobicContact CE3-CG 4.38Å; W327-K444 HydrophobicContact CH2-CD 4.19Å; W327-K444 VanDerWaalsContact CH2-CE 3.49Å; W327-K444 HydrophobicContact CH2-CG 3.57Å; W327-K444 HydrophobicContact CZ2-CD 4.5Å; W327-K444 HydrophobicContact CZ2-CG 4.34Å; W327-K444 HydrophobicContact CZ3-CD 4.49Å; W327-K444 HydrophobicContact CZ3-CG 3.6Å; I421-K444 CarbonylContact C-O 3.59Å; I421-K444 WeakPolarHBondContact CA-O 3.26Å; K422-K444 HydrophobicContact CB-CB 4.19Å; K422-K444 HydrophobicContact CB-CG 4.26Å; K422-K444 PolarHBondContact N-O 3.49Å; K422-K444 PolarHBondContact O-N 3.17Å; K444-W454 HydrophobicContact CB-CB 4.27Å; K444-W454 HydrophobicContact CB-CD2 4.12Å; K444-W454 HydrophobicContact CB-CE3 3.4Å; K444-W454 VanDerWaalsContact CB-CE3 3.4Å; K444-W454 HydrophobicContact CB-CZ3 4.07Å; K444-W454 HydrophobicContact CD-CB 4.42Å; K444-M455 CarbonylContact C-O 3.53Å; K444-M455 WeakPolarHBondContact CA-O 3.34Å; K444-T456 HydrophobicContact CB-CG2 4.06Å; K444-T456 HydrophobicContact CD-CG2 3.89Å; K444-T456 HydrophobicContact CG-CG2 3.85Å; K444-E479 VanDerWaalsContact CE-CD 3.42Å; K444-E479 WeakPolarHBondContact CE-OE1 3.45Å; K444-E479 WeakPolarHBondContact CE-OE2 3.45Å; K444-E479 IonicContact NZ-OE1 2.66Å; K444-E479 PolarHBondContact NZ-OE1 3.22Å; K444-E479 IonicContact NZ-OE2 2.64Å; K444-E479 PolarHBondContact NZ-OE2 3.42Å |
| 445 | I | 86.3 | Confident | 69.1 | Low | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 137.5 | 171.2 | -59.3 | 100.7 | 0 | 0 | 0 | 110.1 | L392 M404 L419 H420 I421 I443 W454 M455 | L392-I445 HydrophobicContact CD2-CD1 3.39Å; L392-I445 HydrophobicContact CD2-CG1 3.55Å; M404-I445 HydrophobicContact CE-CD1 3.71Å; L419-I445 HydrophobicContact CD1-CG2 3.79Å; H420-I445 CarbonylContact O-C 3.55Å; H420-I445 WeakPolarHBondContact O-CA 3.48Å; I421-I445 HydrophobicContact CG1-CG1 4.2Å; I421-I445 HydrophobicContact CG1-CG2 4.49Å; I421-I445 HydrophobicContact CG2-CG1 4.43Å; I443-I445 HydrophobicContact CG2-CD1 3.59Å; I443-I445 HydrophobicContact CG2-CG1 4.18Å; I445-W454 VanDerWaalsContact C-CE3 3.47Å; I445-M455 PolarHBondContact N-O 2.98Å; I445-M455 PolarHBondContact O-N 2.76Å |
| 446 | N | 86.1 | Confident | 71.1 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 142.1 | 161.8 | -161.8 | 2.5 | 0 | 0 | 0 | 109.7 | H420 D448 M451 W454 | H420-N446 HydrophobicContact CB-CB 3.98Å; H420-N446 PolarHBondContact N-O 3.22Å; H420-N446 PolarHBondContact O-N 3.04Å; N446-D448 PolarHBondContact OD1-O 2.82Å; N446-M451 PolarHBondContact ND2-O 3.19Å; N446-M451 WeakPolarHBondContact OD1-CB 3.48Å; N446-M451 PolarHBondContact OD1-O 3.5Å; N446-W454 HydrophobicContact CB-CD2 3.98Å; N446-W454 HydrophobicContact CB-CE3 3.86Å; N446-W454 HydrophobicContact CB-CH2 4.14Å; N446-W454 HydrophobicContact CB-CZ2 4.21Å; N446-W454 HydrophobicContact CB-CZ3 3.95Å |
| 447 | Y | 76.5 | Confident | 72.7 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 8% | 0.082 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 110.8 | -178.1 | -178.3 | -116.9 | 0 | 0 | 0 | 109.2 | F334 L390 L406 T408 L419 | F334-Y447 HydrophobicContact CE1-CE2 4.47Å; F334-Y447 HydrophobicContact CZ-CE2 4.11Å; L390-Y447 HydrophobicContact CD2-CD2 3.93Å; L390-Y447 HydrophobicContact CD2-CE2 3.4Å; L406-Y447 HydrophobicContact CB-CD1 3.9Å; L406-Y447 HydrophobicContact CB-CE1 4.14Å; L406-Y447 HydrophobicContact CB-CG 4.34Å; L406-Y447 HydrophobicContact CD1-CD1 4.42Å; L406-Y447 HydrophobicContact CD1-CD2 4.26Å; L406-Y447 HydrophobicContact CD1-CG 4.02Å; L406-Y447 HydrophobicContact CD2-CD1 4.43Å; L406-Y447 HydrophobicContact CD2-CG 4.4Å; L406-Y447 HydrophobicContact CG-CD1 4.49Å; L406-Y447 HydrophobicContact CG-CG 4.5Å; T408-Y447 WeakPolarHBondContact CG2-OH 3.48Å; L419-Y447 HydrophobicContact CB-CD2 4.42Å; L419-Y447 HydrophobicContact CD1-CD2 4.03Å |
| 448 | D | 71.2 | Confident | 73.9 | Confident | 53 Ų | 53 | 45.5 Ų | 45.5 | 28% | 0.283 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 68.3 | 141.9 | -163.7 | -169.4 | 47.2 | 0 | 0 | 0 | 115.4 | K418 N446 S450 M451 | K418-D448 PolarHBondContact O-N 2.95Å; N446-D448 PolarHBondContact OD1-O 2.82Å; D448-S450 PolarHBondContact O-N 2.75Å; D448-S450 VanDerWaalsContact O-N 3.08Å; D448-S450 WeakPolarHBondContact OD2-CB 3.43Å; D448-S450 PolarHBondContact OD2-OG 3.47Å; D448-M451 PolarHBondContact O-N 3.13Å |
| 449 | D | 62.5 | Low | 74.5 | Confident | 111 Ų | 111 | 42.9 Ų | 42.9 | 59% | 0.594 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -8.1 | -177.4 | -70.4 | -31.4 | 0 | 0 | 0 | 112.8 | K418 M451 | K418-D449 VanDerWaalsContact CD-CG 3.43Å; K418-D449 WeakPolarHBondContact CD-OD1 3.41Å; K418-D449 WeakPolarHBondContact CD-OD2 3.39Å; K418-D449 VanDerWaalsContact CE-OD2 3.26Å; K418-D449 WeakPolarHBondContact CE-OD2 3.26Å; K418-D449 IonicContact NZ-OD1 3.78Å; D449-M451 VanDerWaalsContact C-N 3.34Å |
| 450 | S | 60.6 | Low | 74.6 | Confident | 60 Ų | 60 | 44.8 Ų | 44.8 | 42% | 0.42 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 0.8 | 177 | 70.9 | 0 | 0 | 0 | 0 | 115 | R409 D448 | R409-S450 PolarHBondContact NH1-OG 2.92Å; D448-S450 PolarHBondContact O-N 2.75Å; D448-S450 VanDerWaalsContact O-N 3.08Å; D448-S450 WeakPolarHBondContact OD2-CB 3.43Å; D448-S450 PolarHBondContact OD2-OG 3.47Å |
| 451 | M | 60.8 | Low | 73.8 | Confident | 111 Ų | 111 | 48 Ų | 48 | 55% | 0.547 | 24% | 0.244 | S | C | . | . | trans | -96.6 | 103.1 | 169.3 | -74.1 | -72.8 | -172.6 | 0 | 0 | 109.6 | N446 D448 D449 N453 | N446-M451 PolarHBondContact ND2-O 3.19Å; N446-M451 WeakPolarHBondContact OD1-CB 3.48Å; N446-M451 PolarHBondContact OD1-O 3.5Å; D448-M451 PolarHBondContact O-N 3.13Å; D449-M451 VanDerWaalsContact C-N 3.34Å; M451-N453 PolarHBondContact O-N 3.28Å | ||
| 452 | E | 61.2 | Low | 72.5 | Confident | 185 Ų | 185 | 54.1 Ų | 54.1 | 86% | 0.864 | 27% | 0.272 | S | S | * | . | trans | -64.9 | -25.8 | 177.2 | -64.1 | -176.1 | 144.5 | 0 | 0 | 113 | ||||
| 453 | N | 69 | Low | 70.9 | Confident | 120 Ų | 120 | 65.2 Ų | 65.2 | 64% | 0.642 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -107.3 | 129.8 | -174.3 | -71.9 | -64.2 | 0 | 0 | 0 | 111.9 | M451 | M451-N453 PolarHBondContact O-N 3.28Š|
| 454 | W | 78.5 | Confident | 68.5 | Low | 74 Ų | 74 | 69.2 Ų | 69.2 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | trans | -73.2 | 135.9 | 170.4 | -72.6 | 77.7 | 0 | 0 | 0 | 110.9 | H420 K422 K444 I445 N446 T456 | H420-W454 HydrophobicContact CB-CH2 3.71Å; H420-W454 HydrophobicContact CB-CZ3 4.14Å; H420-W454 AromaticContact CG-CH2 3.96Å; H420-W454 AromaticContact ND1-CH2 3.39Å; H420-W454 WeakPolarHBondContact ND1-CH2 3.41Å; H420-W454 AromaticContact ND1-CZ2 3.77Å; K422-W454 HydrophobicContact CB-CZ3 4.44Å; K422-W454 HydrophobicContact CD-CH2 3.75Å; K422-W454 HydrophobicContact CD-CZ2 4.15Å; K422-W454 HydrophobicContact CD-CZ3 4.05Å; K422-W454 HydrophobicContact CG-CH2 3.66Å; K422-W454 HydrophobicContact CG-CZ3 3.68Å; K444-W454 HydrophobicContact CB-CB 4.27Å; K444-W454 HydrophobicContact CB-CD2 4.12Å; K444-W454 HydrophobicContact CB-CE3 3.4Å; K444-W454 VanDerWaalsContact CB-CE3 3.4Å; K444-W454 HydrophobicContact CB-CZ3 4.07Å; K444-W454 HydrophobicContact CD-CB 4.42Å; I445-W454 VanDerWaalsContact C-CE3 3.47Å; N446-W454 HydrophobicContact CB-CD2 3.98Å; N446-W454 HydrophobicContact CB-CE3 3.86Å; N446-W454 HydrophobicContact CB-CH2 4.14Å; N446-W454 HydrophobicContact CB-CZ2 4.21Å; N446-W454 HydrophobicContact CB-CZ3 3.95Å; W454-T456 HydrophobicContact CB-CG2 4.42Å | ||
| 455 | M | 81.5 | Confident | 66.1 | Low | 51 Ų | 51 | 73.5 Ų | 73.5 | 25% | 0.251 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 114.6 | 172.4 | -174.4 | 168.4 | 53.9 | 0 | 0 | 109.2 | M404 L406 K444 I445 L473 | M404-M455 HydrophobicContact CE-CE 3.51Å; M404-M455 HydrophobicContact CE-SD 4.26Å; M404-M455 HydrophobicContact CG-CE 3.99Å; M404-M455 HydrophobicContact CG-SD 4.32Å; M404-M455 HydrophobicContact SD-CE 3.44Å; M404-M455 WeakPolarHBondContact SD-CE 3.39Å; M404-M455 HydrophobicContact SD-CG 4.2Å; M404-M455 HydrophobicContact SD-SD 3.49Å; L406-M455 HydrophobicContact CD2-CE 3.58Å; K444-M455 CarbonylContact C-O 3.53Å; K444-M455 WeakPolarHBondContact CA-O 3.34Å; I445-M455 PolarHBondContact N-O 2.98Å; I445-M455 PolarHBondContact O-N 2.76Å; M455-L473 HydrophobicContact CG-CD1 3.95Å; M455-L473 HydrophobicContact CG-CD2 4.11Å; M455-L473 HydrophobicContact CG-CG 4.22Å; M455-L473 HydrophobicContact SD-CD1 4.13Å |
| 456 | T | 84.1 | Confident | 63.8 | Low | 4 Ų | 4 | 80 Ų | 80 | 3% | 0.025 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.6 | -170.4 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | I443 K444 W454 L473 I474 | I443-T456 CarbonylContact O-C 3.56Å; I443-T456 WeakPolarHBondContact O-CA 3.43Å; K444-T456 HydrophobicContact CB-CG2 4.06Å; K444-T456 HydrophobicContact CD-CG2 3.89Å; K444-T456 HydrophobicContact CG-CG2 3.85Å; W454-T456 HydrophobicContact CB-CG2 4.42Å; T456-L473 CarbonylContact O-C 3.56Å; T456-L473 WeakPolarHBondContact O-CA 2.9Å; T456-L473 WeakPolarHBondContact O-CD2 3.22Å; T456-I474 PolarHBondContact O-N 3.46Å; T456-I474 PolarHBondContact OG1-O 2.88Å; T456-I474 VanDerWaalsContact OG1-O 3.06Å |
| 457 | V | 81.1 | Confident | 61.7 | Low | 1 Ų | 1 | 84.9 Ų | 84.9 | 1% | 0.006 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 133.7 | -175.7 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | F402 M404 I443 L471 T472 | F402-V457 HydrophobicContact CD1-CG1 4.39Å; F402-V457 HydrophobicContact CE1-CG1 4.2Å; F402-V457 HydrophobicContact CE1-CG2 3.96Å; M404-V457 HydrophobicContact CE-CG2 3.86Å; M404-V457 HydrophobicContact SD-CG2 4.33Å; I443-V457 HydrophobicContact CB-CB 4.49Å; I443-V457 PolarHBondContact N-O 3.03Å; I443-V457 PolarHBondContact O-N 3.3Å; V457-L471 HydrophobicContact CG1-CB 3.83Å; V457-L471 HydrophobicContact CG1-CD1 4.49Å; V457-T472 WeakPolarHBondContact CA-O 3.33Å |
| 458 | G | 76.2 | Confident | 60.1 | Low | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | -174 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T472 | G458-T472 PolarHBondContact N-O 2.81Å; G458-T472 PolarHBondContact O-N 3.25Å; G458-T472 PolarHBondContact O-OG1 2.7Å |
| 459 | P | 71.2 | Confident | 59.2 | Low | 6 Ų | 6 | 86.4 Ų | 86.4 | 4% | 0.039 | 45% | 0.449 | C | S | . | . | trans | -66.5 | 150.2 | 177.1 | 29.4 | -36.1 | 0 | 0 | 0 | 112.2 | I426 L428 W440 L482 | I426-P459 HydrophobicContact CD1-CG 3.99Å; L428-P459 HydrophobicContact CD1-CB 3.68Å; L428-P459 HydrophobicContact CD1-CG 3.93Å; L428-P459 HydrophobicContact CD2-CG 4.42Å; W440-P459 HydrophobicContact CB-CB 4.23Å; W440-P459 HydrophobicContact CB-CG 4.43Å; W440-P459 HydrophobicContact CD2-CB 3.78Å; W440-P459 HydrophobicContact CE3-CB 3.88Å; W440-P459 HydrophobicContact CG-CB 3.97Å; P459-L482 HydrophobicContact CG-CD1 4Å; P459-L482 HydrophobicContact CG-CD2 4.27Å | ||
| 460 | N | 64.4 | Low | 58.9 | Low | 55 Ų | 55 | 88 Ų | 88 | 29% | 0.294 | 45% | 0.448 | S | S | . | . | trans | -76.5 | 140.2 | -179.2 | -162.3 | -1.4 | 0 | 0 | 0 | 111.5 | H462 T472 | N460-H462 PolarHBondContact O-N 3.48Å; N460-T472 WeakPolarHBondContact CA-OG1 3.44Å; N460-T472 HydrophobicContact CB-CG2 3.87Å | ||
| 461 | N | 54.4 | Low | 59 | Low | 92 Ų | 92 | 85.4 Ų | 85.4 | 49% | 0.492 | 43% | 0.43 | S | S | . | . | trans | -76.5 | 107.8 | -179.9 | -82.1 | -57.3 | 0 | 0 | 0 | 110.6 | Y463 | N461-Y463 PolarHBondContact O-N 3.35Š| ||
| 462 | H | 47 | Very low | 59.5 | Low | 129 Ų | 129 | 81.9 Ų | 81.9 | 60% | 0.597 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 86.5 | -179.4 | -82.7 | -68.7 | 0 | 0 | 0 | 113.4 | N460 | N460-H462 PolarHBondContact O-N 3.48Š|
| 463 | Y | 44.4 | Very low | 60.2 | Low | 233 Ų | 233 | 78 Ų | 78 | 91% | 0.914 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | -8.4 | 160.2 | -81.5 | -72.6 | 0 | 0 | 0 | 114.5 | N461 | N461-Y463 PolarHBondContact O-N 3.35Š|
| 464 | S | 36.5 | Very low | 60.6 | Low | 86 Ų | 86 | 72.8 Ų | 72.8 | 60% | 0.601 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -98.4 | 121.8 | 167.2 | 55.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 465 | T | 35.5 | Very low | 60.9 | Low | 128 Ų | 128 | 72.8 Ų | 72.8 | 79% | 0.785 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -63.7 | 143.8 | 163.5 | 44.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 466 | N | 36.2 | Very low | 60.7 | Low | 141 Ų | 141 | 74.4 Ų | 74.4 | 75% | 0.754 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 72.7 | 114 | -177.8 | -48.2 | -22.1 | 0 | 0 | 0 | 114.7 | ||
| 467 | N | 42.1 | Very low | 60.5 | Low | 122 Ų | 122 | 81.3 Ų | 81.3 | 65% | 0.652 | 42% | 0.418 | S | S | * | . | trans | 94.8 | 56.6 | 171.9 | -54 | -11.7 | 0 | 0 | 0 | 118.4 | N469 Y470 | N467-N469 VanDerWaalsContact C-N 3.28Å; N467-N469 PolarHBondContact O-N 3.13Å; N467-Y470 HydrophobicContact CB-CE2 4.3Å | ||
| 468 | G | 44.8 | Very low | 60.4 | Low | 24 Ų | 24 | 84.6 Ų | 84.6 | 25% | 0.247 | 43% | 0.434 | C | S | . | . | trans | -77.4 | 13.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 469 | N | 51.8 | Low | 60.4 | Low | 81 Ų | 81 | 85.1 Ų | 85.1 | 43% | 0.433 | 44% | 0.436 | S | S | . | . | trans | -103.6 | 22.9 | -162.1 | -70.6 | 15.5 | 0 | 0 | 0 | 115.1 | I400 N467 | I400-N469 HydrophobicContact CD1-CB 4.01Å; I400-N469 WeakPolarHBondContact CD1-O 3.01Å; I400-N469 HydrophobicContact CG1-CB 4.27Å; I400-N469 WeakPolarHBondContact CG1-O 3.5Å; I400-N469 WeakPolarHBondContact CG2-O 3.43Å; N467-N469 VanDerWaalsContact C-N 3.28Å; N467-N469 PolarHBondContact O-N 3.13Å | ||
| 470 | Y | 55.8 | Low | 60.6 | Low | 144 Ų | 144 | 89.6 Ų | 89.6 | 57% | 0.565 | 46% | 0.459 | S | S | * | . | trans | -130.3 | 139.3 | -175.4 | -54.6 | -70.4 | 0 | 0 | 0 | 112.1 | N467 | N467-Y470 HydrophobicContact CB-CE2 4.3Š| ||
| 471 | L | 62.5 | Low | 61.2 | Low | 7 Ų | 7 | 94.5 Ų | 94.5 | 4% | 0.037 | 48% | 0.478 | C | S | . | . | trans | -72.3 | 138.7 | 164.8 | -71 | 170.3 | 0 | 0 | 0 | 109 | I394 F402 W440 P441 V457 | I394-L471 HydrophobicContact CG2-CD1 3.89Å; F402-L471 HydrophobicContact CB-CB 4.49Å; F402-L471 HydrophobicContact CB-CD1 4.44Å; W440-L471 HydrophobicContact CE3-CD2 3.8Å; W440-L471 HydrophobicContact CZ3-CD2 3.89Å; P441-L471 HydrophobicContact CG-CD1 4.1Å; P441-L471 HydrophobicContact CG-CD2 3.91Å; V457-L471 HydrophobicContact CG1-CB 3.83Å; V457-L471 HydrophobicContact CG1-CD1 4.49Å | ||
| 472 | T | 70.4 | Confident | 62 | Low | 36 Ų | 36 | 91.6 Ų | 91.6 | 22% | 0.221 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 147.6 | -175 | 46.2 | 0 | 0 | 0 | 0 | 111.8 | V457 G458 N460 I474 | V457-T472 WeakPolarHBondContact CA-O 3.33Å; G458-T472 PolarHBondContact N-O 2.81Å; G458-T472 PolarHBondContact O-N 3.25Å; G458-T472 PolarHBondContact O-OG1 2.7Å; N460-T472 WeakPolarHBondContact CA-OG1 3.44Å; N460-T472 HydrophobicContact CB-CG2 3.87Å; T472-I474 PolarHBondContact O-N 2.63Å |
| 473 | L | 76.7 | Confident | 63.1 | Low | 104 Ų | 104 | 86.1 Ų | 86.1 | 55% | 0.545 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 114.9 | 171.2 | -136.5 | 161.1 | 0 | 0 | 0 | 108.1 | M455 T456 | M455-L473 HydrophobicContact CG-CD1 3.95Å; M455-L473 HydrophobicContact CG-CD2 4.11Å; M455-L473 HydrophobicContact CG-CG 4.22Å; M455-L473 HydrophobicContact SD-CD1 4.13Å; T456-L473 CarbonylContact O-C 3.56Å; T456-L473 WeakPolarHBondContact O-CA 2.9Å; T456-L473 WeakPolarHBondContact O-CD2 3.22Å |
| 474 | I | 78.4 | Confident | 64.2 | Low | 10 Ų | 10 | 82.4 Ų | 82.4 | 5% | 0.051 | 43% | 0.425 | C | S | . | . | trans | -100.7 | 172.5 | -177.2 | 59.9 | 169.6 | 0 | 0 | 0 | 110.3 | L442 T456 T472 Q478 E479 L482 | L442-I474 HydrophobicContact CD1-CD1 3.6Å; T456-I474 PolarHBondContact O-N 3.46Å; T456-I474 PolarHBondContact OG1-O 2.88Å; T456-I474 VanDerWaalsContact OG1-O 3.06Å; T472-I474 PolarHBondContact O-N 2.63Å; I474-Q478 HydrophobicContact CB-CB 4.27Å; I474-E479 HydrophobicContact CD1-CB 3.82Å; I474-E479 HydrophobicContact CD1-CG 4.28Å; I474-L482 HydrophobicContact CD1-CD1 4.16Å | ||
| 475 | N | 83.2 | Confident | 65.3 | Low | 74 Ų | 74 | 83.6 Ų | 83.6 | 40% | 0.396 | 43% | 0.425 | S | S | . | . | trans | -102.9 | 165.5 | 169.9 | 76.6 | 9.9 | 0 | 0 | 0 | 112.1 | E477 Q478 E479 | N475-E477 PolarHBondContact O-N 3.06Å; N475-E477 VanDerWaalsContact O-N 3.15Å; N475-E477 PolarHBondContact OD1-N 2.77Å; N475-Q478 PolarHBondContact O-N 2.81Å; N475-Q478 WeakPolarHBondContact OD1-CB 3.44Å; N475-Q478 VanDerWaalsContact OD1-CG 3.26Å; N475-Q478 WeakPolarHBondContact OD1-CG 3.34Å; N475-Q478 PolarHBondContact OD1-N 3.24Å; N475-E479 PolarHBondContact O-N 2.87Å | ||
| 476 | N | 78.1 | Confident | 66.3 | Low | 85 Ų | 85 | 77.8 Ų | 77.8 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.4 | -29.2 | -179.4 | -67.9 | -13.1 | 0 | 0 | 0 | 113.4 | L480 | N476-L480 WeakPolarHBondContact O-CB 3.28Å; N476-L480 WeakPolarHBondContact O-CD1 3.3Å; N476-L480 VanDerWaalsContact O-CG 3.24Å; N476-L480 WeakPolarHBondContact O-CG 3.48Å; N476-L480 PolarHBondContact O-N 2.96Å |
| 477 | E | 79.9 | Confident | 66.9 | Low | 150 Ų | 150 | 77.8 Ų | 77.8 | 70% | 0.701 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -76.2 | -41.6 | -179.3 | -171.4 | 176 | -142.1 | 0 | 0 | 111.9 | N475 L480 K481 | N475-E477 PolarHBondContact O-N 3.06Å; N475-E477 VanDerWaalsContact O-N 3.15Å; N475-E477 PolarHBondContact OD1-N 2.77Å; E477-L480 PolarHBondContact O-N 2.97Å; E477-K481 WeakPolarHBondContact O-CB 3.24Å; E477-K481 PolarHBondContact O-N 2.81Å |
| 478 | Q | 78.3 | Confident | 67.1 | Low | 70 Ų | 70 | 77.9 Ų | 77.9 | 33% | 0.327 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 170 | -71.6 | 166.1 | -14.9 | 0 | 0 | 111.1 | I474 N475 K481 L482 | I474-Q478 HydrophobicContact CB-CB 4.27Å; N475-Q478 PolarHBondContact O-N 2.81Å; N475-Q478 WeakPolarHBondContact OD1-CB 3.44Å; N475-Q478 VanDerWaalsContact OD1-CG 3.26Å; N475-Q478 WeakPolarHBondContact OD1-CG 3.34Å; N475-Q478 PolarHBondContact OD1-N 3.24Å; Q478-K481 WeakPolarHBondContact O-CB 3.38Å; Q478-K481 PolarHBondContact O-N 3.21Å; Q478-L482 WeakPolarHBondContact O-CG 3.47Å; Q478-L482 PolarHBondContact O-N 2.81Å |
| 479 | E | 77.1 | Confident | 67.3 | Low | 11 Ų | 11 | 77.5 Ų | 77.5 | 5% | 0.051 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 175.2 | -170.7 | -140.6 | 126.7 | 0 | 0 | 111.5 | L442 K444 I474 N475 K481 L482 M483 | L442-E479 HydrophobicContact CD2-CG 4.11Å; K444-E479 VanDerWaalsContact CE-CD 3.42Å; K444-E479 WeakPolarHBondContact CE-OE1 3.45Å; K444-E479 WeakPolarHBondContact CE-OE2 3.45Å; K444-E479 IonicContact NZ-OE1 2.66Å; K444-E479 PolarHBondContact NZ-OE1 3.22Å; K444-E479 IonicContact NZ-OE2 2.64Å; K444-E479 PolarHBondContact NZ-OE2 3.42Å; I474-E479 HydrophobicContact CD1-CB 3.82Å; I474-E479 HydrophobicContact CD1-CG 4.28Å; N475-E479 PolarHBondContact O-N 2.87Å; E479-K481 PolarHBondContact O-N 3.42Å; E479-L482 PolarHBondContact O-N 2.79Å; E479-M483 HydrophobicContact CG-CG 4.42Å; E479-M483 WeakPolarHBondContact O-CB 3.2Å; E479-M483 WeakPolarHBondContact O-CG 3.3Å; E479-M483 PolarHBondContact O-N 2.79Å |
| 480 | L | 76.1 | Confident | 67.1 | Low | 100 Ų | 100 | 77.7 Ų | 77.7 | 52% | 0.524 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.2 | -32.1 | 175.2 | -77.6 | 166.7 | 0 | 0 | 0 | 112.5 | N476 E477 K484 | N476-L480 WeakPolarHBondContact O-CB 3.28Å; N476-L480 WeakPolarHBondContact O-CD1 3.3Å; N476-L480 VanDerWaalsContact O-CG 3.24Å; N476-L480 WeakPolarHBondContact O-CG 3.48Å; N476-L480 PolarHBondContact O-N 2.96Å; E477-L480 PolarHBondContact O-N 2.97Å; L480-K484 WeakPolarHBondContact O-CG 3.35Å; L480-K484 PolarHBondContact O-N 2.99Å |
| 481 | K | 75.4 | Confident | 66.6 | Low | 157 Ų | 157 | 81.1 Ų | 81.1 | 68% | 0.683 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -70.5 | -45.2 | 175.2 | -163.3 | 177.7 | -177.3 | -177.4 | 0 | 111.8 | E477 Q478 E479 K484 | E477-K481 WeakPolarHBondContact O-CB 3.24Å; E477-K481 PolarHBondContact O-N 2.81Å; Q478-K481 WeakPolarHBondContact O-CB 3.38Å; Q478-K481 PolarHBondContact O-N 3.21Å; E479-K481 PolarHBondContact O-N 3.42Å; K481-K484 PolarHBondContact O-N 2.96Å |
| 482 | L | 72.6 | Confident | 65.7 | Low | 31 Ų | 31 | 83.9 Ų | 83.9 | 16% | 0.162 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 174.9 | -68.7 | 169.3 | 0 | 0 | 0 | 111.6 | I426 L428 L442 P459 I474 Q478 E479 K484 N485 | I426-L482 HydrophobicContact CD1-CB 4.01Å; I426-L482 HydrophobicContact CD1-CD1 4.08Å; I426-L482 HydrophobicContact CD1-CD2 4.07Å; I426-L482 HydrophobicContact CD1-CG 4.28Å; L428-L482 HydrophobicContact CD2-CD2 4.13Å; L442-L482 HydrophobicContact CD1-CD1 3.95Å; P459-L482 HydrophobicContact CG-CD1 4Å; P459-L482 HydrophobicContact CG-CD2 4.27Å; I474-L482 HydrophobicContact CD1-CD1 4.16Å; Q478-L482 WeakPolarHBondContact O-CG 3.47Å; Q478-L482 PolarHBondContact O-N 2.81Å; E479-L482 PolarHBondContact O-N 2.79Å; L482-K484 VanDerWaalsContact C-N 3.28Å; L482-K484 PolarHBondContact O-N 2.98Å; L482-N485 PolarHBondContact O-N 2.83Å |
| 483 | M | 69.8 | Low | 64.5 | Low | 15 Ų | 15 | 83.5 Ų | 83.5 | 7% | 0.074 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.9 | -28.1 | 179.4 | -72.6 | -63.3 | -61.8 | 0 | 0 | 113.4 | K326 W327 T424 L442 E479 L486 | K326-M483 HydrophobicContact CB-CE 4.27Å; W327-M483 HydrophobicContact CZ2-CG 4.48Å; W327-M483 HydrophobicContact CZ2-SD 3.91Å; T424-M483 HydrophobicContact CG2-SD 4.13Å; L442-M483 HydrophobicContact CD2-CG 4Å; L442-M483 HydrophobicContact CD2-SD 3.61Å; E479-M483 HydrophobicContact CG-CG 4.42Å; E479-M483 WeakPolarHBondContact O-CB 3.2Å; E479-M483 WeakPolarHBondContact O-CG 3.3Å; E479-M483 PolarHBondContact O-N 2.79Å; M483-L486 HydrophobicContact CE-CD1 3.87Å; M483-L486 WeakPolarHBondContact O-CB 3.32Å; M483-L486 HydrophobicContact SD-CD1 3.7Å |
| 484 | K | 66.3 | Low | 63.2 | Low | 154 Ų | 154 | 85.1 Ų | 85.1 | 67% | 0.67 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.9 | -38.7 | 175.1 | -83.2 | 175 | 179.6 | 179.4 | 0 | 112.8 | L480 K481 L482 L486 K487 | L480-K484 WeakPolarHBondContact O-CG 3.35Å; L480-K484 PolarHBondContact O-N 2.99Å; K481-K484 PolarHBondContact O-N 2.96Å; L482-K484 VanDerWaalsContact C-N 3.28Å; L482-K484 PolarHBondContact O-N 2.98Å; K484-L486 PolarHBondContact O-N 2.85Å; K484-K487 PolarHBondContact O-N 3Å |
| 485 | N | 59.7 | Low | 61.4 | Low | 112 Ų | 112 | 92.7 Ų | 92.7 | 60% | 0.599 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66.6 | -25.2 | -176.9 | -70.3 | 9.3 | 0 | 0 | 0 | 112.6 | L482 K487 V488 | L482-N485 PolarHBondContact O-N 2.83Å; N485-K487 PolarHBondContact O-N 2.9Å; N485-V488 PolarHBondContact O-N 3.1Å |
| 486 | L | 56.5 | Low | 59.5 | Low | 5 Ų | 5 | 91 Ų | 91 | 3% | 0.026 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -57.2 | -17.1 | 176.5 | -74.8 | 177 | 0 | 0 | 0 | 115.2 | K326 I426 M483 K484 V488 V489 Y493 | K326-L486 HydrophobicContact CD-CB 4.49Å; K326-L486 HydrophobicContact CD-CD1 3.97Å; K326-L486 PolarHBondContact NZ-O 2.88Å; I426-L486 HydrophobicContact CB-CD2 4.05Å; I426-L486 HydrophobicContact CG2-CD1 3.92Å; I426-L486 HydrophobicContact CG2-CD2 3.92Å; I426-L486 HydrophobicContact CG2-CG 4.14Å; M483-L486 HydrophobicContact CE-CD1 3.87Å; M483-L486 WeakPolarHBondContact O-CB 3.32Å; M483-L486 HydrophobicContact SD-CD1 3.7Å; K484-L486 PolarHBondContact O-N 2.85Å; L486-V488 PolarHBondContact O-N 2.71Å; L486-V489 PolarHBondContact O-N 2.86Å; L486-Y493 HydrophobicContact CD2-CE2 4.03Å |
| 487 | K | 49.4 | Very low | 58 | Low | 142 Ų | 142 | 88.9 Ų | 88.9 | 62% | 0.617 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -69.4 | -19.6 | 178.4 | -71 | -164.5 | 173.2 | -169.7 | 0 | 113.6 | K484 N485 | K484-K487 PolarHBondContact O-N 3Å; N485-K487 PolarHBondContact O-N 2.9Å |
| 488 | V | 46.8 | Very low | 56.4 | Low | 123 Ų | 123 | 87.8 Ų | 87.8 | 75% | 0.745 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -80.3 | -22.9 | 178.7 | -174.6 | 0 | 0 | 0 | 0 | 112.1 | N485 L486 | N485-V488 PolarHBondContact O-N 3.1Å; L486-V488 PolarHBondContact O-N 2.71Å |
| 489 | V | 47.9 | Very low | 54.7 | Low | 16 Ų | 16 | 90 Ų | 90 | 10% | 0.097 | 43% | 0.429 | C | S | . | . | trans | -93 | -2.5 | -166.4 | -159.5 | 0 | 0 | 0 | 0 | 113.3 | W427 L486 Y491 V492 Y493 | W427-V489 HydrophobicContact CB-CG1 4.22Å; W427-V489 HydrophobicContact CB-CG2 4.44Å; W427-V489 HydrophobicContact CD2-CG1 4.3Å; W427-V489 HydrophobicContact CG-CG1 4.05Å; L486-V489 PolarHBondContact O-N 2.86Å; V489-Y491 VanDerWaalsContact C-N 3.28Å; V489-Y491 PolarHBondContact O-N 3.01Å; V489-Y491 VanDerWaalsContact O-N 3.07Å; V489-V492 HydrophobicContact CG1-CB 4.49Å; V489-V492 PolarHBondContact O-N 2.84Å; V489-Y493 HydrophobicContact CB-CD2 4.16Å; V489-Y493 HydrophobicContact CB-CE2 4.43Å; V489-Y493 HydrophobicContact CG1-CD2 4.1Å; V489-Y493 HydrophobicContact CG1-CE2 4.49Å; V489-Y493 PolarHBondContact O-N 3.01Å | ||
| 490 | N | 48 | Very low | 53.1 | Low | 86 Ų | 86 | 92.9 Ų | 92.9 | 46% | 0.46 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -55 | -33.6 | -168.5 | -99.9 | 39.6 | 0 | 0 | 0 | 114.8 | K326 V492 Y493 | K326-N490 PolarHBondContact NZ-OD1 2.87Å; N490-V492 PolarHBondContact O-N 2.74Å; N490-Y493 VanDerWaalsContact O-CB 3.31Å; N490-Y493 WeakPolarHBondContact O-CB 3.44Å; N490-Y493 PolarHBondContact O-N 3.19Å |
| 491 | Y | 45.6 | Very low | 51.9 | Low | 215 Ų | 215 | 89.7 Ų | 89.7 | 84% | 0.843 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -72.4 | -23.7 | -179.1 | -167.9 | -104.6 | 0 | 0 | 0 | 114.3 | V489 | V489-Y491 VanDerWaalsContact C-N 3.28Å; V489-Y491 PolarHBondContact O-N 3.01Å; V489-Y491 VanDerWaalsContact O-N 3.07Å |
| 492 | V | 43.8 | Very low | 51 | Low | 66 Ų | 66 | 83.4 Ų | 83.4 | 40% | 0.4 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -90.2 | -23.1 | 174.4 | -174.1 | 0 | 0 | 0 | 0 | 110.7 | W427 V489 N490 I496 | W427-V492 HydrophobicContact CH2-CG1 4.39Å; W427-V492 HydrophobicContact CZ2-CG1 4.37Å; V489-V492 HydrophobicContact CG1-CB 4.49Å; V489-V492 PolarHBondContact O-N 2.84Å; N490-V492 PolarHBondContact O-N 2.74Å; V492-I496 HydrophobicContact CG1-CD1 3.7Å; V492-I496 HydrophobicContact CG1-CG1 4.33Å; V492-I496 WeakPolarHBondContact O-CG1 3.49Å; V492-I496 PolarHBondContact O-N 2.91Å |
| 493 | Y | 45.6 | Very low | 50.5 | Low | 27 Ų | 27 | 82 Ų | 82 | 11% | 0.106 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.2 | -49.7 | -176 | -122.3 | -107 | 0 | 0 | 0 | 113.1 | M425 L486 V489 N490 K495 I496 W497 | M425-Y493 PolarHBondContact O-OH 3.21Å; M425-Y493 VanDerWaalsContact O-OH 3.11Å; L486-Y493 HydrophobicContact CD2-CE2 4.03Å; V489-Y493 HydrophobicContact CB-CD2 4.16Å; V489-Y493 HydrophobicContact CB-CE2 4.43Å; V489-Y493 HydrophobicContact CG1-CD2 4.1Å; V489-Y493 HydrophobicContact CG1-CE2 4.49Å; V489-Y493 PolarHBondContact O-N 3.01Å; N490-Y493 VanDerWaalsContact O-CB 3.31Å; N490-Y493 WeakPolarHBondContact O-CB 3.44Å; N490-Y493 PolarHBondContact O-N 3.19Å; Y493-K495 PolarHBondContact O-N 3.3Å; Y493-I496 PolarHBondContact O-N 3.48Å; Y493-W497 AromaticContact CD1-CD1 3.66Å; Y493-W497 AromaticContact CD1-CE2 3.88Å; Y493-W497 HydrophobicContact CD1-CG 4.48Å; Y493-W497 HydrophobicContact CD1-CZ2 4.44Å; Y493-W497 AromaticContact CD1-NE1 3.24Å; Y493-W497 AromaticContact CE1-CE2 3.61Å; Y493-W497 AromaticContact CE1-CZ2 3.78Å; Y493-W497 HydrophobicContact CE1-CZ2 3.78Å; Y493-W497 AromaticContact CE1-NE1 3.17Å; Y493-W497 AromaticContact CZ-NE1 4Å; Y493-W497 VanDerWaalsContact O-CD1 3.24Å; Y493-W497 PolarHBondContact O-N 3.13Å |
| 494 | E | 47.9 | Very low | 50.2 | Low | 139 Ų | 139 | 81.2 Ų | 81.2 | 65% | 0.65 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -55.9 | -54.8 | -175 | -66.8 | 175.9 | 168.2 | 0 | 0 | 111.3 | I496 W497 E498 | E494-I496 PolarHBondContact O-N 3.44Å; E494-W497 PolarHBondContact O-N 3.37Å; E494-E498 PolarHBondContact O-N 3.32Å |
| 495 | K | 41 | Very low | 50.3 | Low | 168 Ų | 168 | 75.8 Ų | 75.8 | 73% | 0.73 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.2 | -21.1 | -179.9 | -105.7 | -174.6 | 175.7 | -177.8 | 0 | 115.5 | Y493 | Y493-K495 PolarHBondContact O-N 3.3Å |
| 496 | I | 43.7 | Very low | 51 | Low | 40 Ų | 40 | 70.5 Ų | 70.5 | 21% | 0.205 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -84.8 | -40.1 | 176.6 | -72.9 | -176.2 | 0 | 0 | 0 | 110.8 | W427 V492 Y493 E494 E498 N499 T500 L501 | W427-I496 HydrophobicContact CZ2-CD1 3.6Å; V492-I496 HydrophobicContact CG1-CD1 3.7Å; V492-I496 HydrophobicContact CG1-CG1 4.33Å; V492-I496 WeakPolarHBondContact O-CG1 3.49Å; V492-I496 PolarHBondContact O-N 2.91Å; Y493-I496 PolarHBondContact O-N 3.48Å; E494-I496 PolarHBondContact O-N 3.44Å; I496-E498 VanDerWaalsContact C-N 3.34Å; I496-E498 PolarHBondContact O-N 3.4Å; I496-N499 PolarHBondContact O-N 2.99Å; I496-T500 PolarHBondContact O-N 3.09Å; I496-L501 HydrophobicContact CG2-CB 4.3Å; I496-L501 HydrophobicContact CG2-CD1 3.51Å; I496-L501 HydrophobicContact CG2-CG 4.5Å |
| 497 | W | 46.8 | Very low | 52.2 | Low | 40 Ų | 40 | 70.2 Ų | 70.2 | 15% | 0.152 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70 | -27.3 | -177.5 | -84.7 | 59.5 | 0 | 0 | 0 | 113.8 | F298 Y493 E494 N499 W502 | F298-W497 HydrophobicContact CD1-CB 4.42Å; F298-W497 AromaticContact CD2-CE3 3.75Å; F298-W497 HydrophobicContact CD2-CE3 3.75Å; F298-W497 HydrophobicContact CD2-CZ3 4.33Å; F298-W497 HydrophobicContact CE1-CB 4.01Å; F298-W497 HydrophobicContact CE2-CB 4.42Å; F298-W497 HydrophobicContact CE2-CD2 4.37Å; F298-W497 AromaticContact CE2-CE3 3.44Å; F298-W497 HydrophobicContact CE2-CE3 3.44Å; F298-W497 VanDerWaalsContact CE2-CE3 3.44Å; F298-W497 HydrophobicContact CE2-CZ3 4.06Å; F298-W497 HydrophobicContact CZ-CB 4.02Å; F298-W497 HydrophobicContact CZ-CE3 4.11Å; Y493-W497 AromaticContact CD1-CD1 3.66Å; Y493-W497 AromaticContact CD1-CE2 3.88Å; Y493-W497 HydrophobicContact CD1-CG 4.48Å; Y493-W497 HydrophobicContact CD1-CZ2 4.44Å; Y493-W497 AromaticContact CD1-NE1 3.24Å; Y493-W497 AromaticContact CE1-CE2 3.61Å; Y493-W497 AromaticContact CE1-CZ2 3.78Å; Y493-W497 HydrophobicContact CE1-CZ2 3.78Å; Y493-W497 AromaticContact CE1-NE1 3.17Å; Y493-W497 AromaticContact CZ-NE1 4Å; Y493-W497 VanDerWaalsContact O-CD1 3.24Å; Y493-W497 PolarHBondContact O-N 3.13Å; E494-W497 PolarHBondContact O-N 3.37Å; W497-N499 PolarHBondContact O-N 3.35Å; W497-W502 HydrophobicContact CE3-CZ2 4.3Å; W497-W502 AromaticContact CE3-NE1 3.51Å; W497-W502 HydrophobicContact CZ3-CZ2 4.16Å; W497-W502 AromaticContact CZ3-NE1 3.47Å |
| 498 | E | 45.5 | Very low | 53.9 | Low | 126 Ų | 126 | 65.3 Ų | 65.3 | 59% | 0.589 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.8 | 174.5 | -72.1 | 179.6 | 142.1 | 0 | 0 | 114 | E494 I496 | E494-E498 PolarHBondContact O-N 3.32Å; I496-E498 VanDerWaalsContact C-N 3.34Å; I496-E498 PolarHBondContact O-N 3.4Å |
| 499 | N | 42.6 | Very low | 55.8 | Low | 117 Ų | 117 | 59.5 Ų | 59.5 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.2 | -61.7 | -172.1 | -72.9 | -79.8 | 0 | 0 | 0 | 113.9 | I496 W497 | I496-N499 PolarHBondContact O-N 2.99Å; W497-N499 PolarHBondContact O-N 3.35Å |
| 500 | T | 44.3 | Very low | 57.5 | Low | 72 Ų | 72 | 58.7 Ų | 58.7 | 44% | 0.442 | 28% | 0.275 | S | S | . | . | trans | -160.3 | 119.1 | -169.7 | 48.9 | 0 | 0 | 0 | 0 | 111.4 | I352 I496 | I352-T500 HydrophobicContact CD1-CG2 3.56Å; I496-T500 PolarHBondContact O-N 3.09Å | ||
| 501 | L | 49.7 | Very low | 59 | Low | 33 Ų | 33 | 54.7 Ų | 54.7 | 17% | 0.173 | 25% | 0.254 | C | S | . | . | trans | -178.9 | 35.8 | 146.1 | -102 | 151.5 | 0 | 0 | 0 | 115 | L379 M425 L439 I496 | L379-L501 HydrophobicContact CD1-CD2 3.74Å; M425-L501 HydrophobicContact CE-CD2 3.81Å; M425-L501 HydrophobicContact CG-CD2 4.17Å; M425-L501 VanDerWaalsContact CG-O 3.24Å; M425-L501 WeakPolarHBondContact CG-O 3.46Å; L439-L501 HydrophobicContact CD1-CD1 3.35Å; L439-L501 HydrophobicContact CD1-CD2 4.27Å; L439-L501 HydrophobicContact CD1-CG 4.45Å; L439-L501 HydrophobicContact CD2-CD1 3.91Å; L439-L501 HydrophobicContact CD2-CD2 4.12Å; L439-L501 HydrophobicContact CG-CD1 4.22Å; I496-L501 HydrophobicContact CG2-CB 4.3Å; I496-L501 HydrophobicContact CG2-CD1 3.51Å; I496-L501 HydrophobicContact CG2-CG 4.5Å | ||
| 502 | W | 57.4 | Low | 60.4 | Low | 25 Ų | 25 | 44.8 Ų | 44.8 | 10% | 0.095 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -91.6 | 171 | 165.6 | -63.7 | 0.2 | 0 | 0 | 0 | 109.6 | F298 L301 I328 Y423 W497 G504 | F298-W502 HydrophobicContact CB-CH2 4.32Å; F298-W502 HydrophobicContact CB-CZ2 4.18Å; F298-W502 HydrophobicContact CD2-CZ2 4.01Å; L301-W502 HydrophobicContact CB-CH2 3.65Å; L301-W502 HydrophobicContact CB-CZ2 4.19Å; L301-W502 HydrophobicContact CD1-CH2 4.43Å; L301-W502 HydrophobicContact CD2-CH2 3.46Å; L301-W502 VanDerWaalsContact CD2-CH2 3.46Å; L301-W502 HydrophobicContact CD2-CZ2 3.48Å; L301-W502 VanDerWaalsContact CD2-CZ2 3.48Å; L301-W502 HydrophobicContact CD2-CZ3 4.2Å; L301-W502 HydrophobicContact CG-CH2 4.01Å; L301-W502 HydrophobicContact CG-CZ2 4.41Å; I328-W502 HydrophobicContact CD1-CB 4.28Å; I328-W502 HydrophobicContact CD1-CD2 3.41Å; I328-W502 VanDerWaalsContact CD1-CD2 3.41Å; I328-W502 HydrophobicContact CD1-CE3 4Å; I328-W502 HydrophobicContact CD1-CG 3.51Å; I328-W502 HydrophobicContact CD1-CZ2 4.2Å; Y423-W502 HydrophobicContact CE2-CB 4.37Å; W497-W502 HydrophobicContact CE3-CZ2 4.3Å; W497-W502 AromaticContact CE3-NE1 3.51Å; W497-W502 HydrophobicContact CZ3-CZ2 4.16Å; W497-W502 AromaticContact CZ3-NE1 3.47Å; W502-G504 PolarHBondContact O-N 3.29Å |
| 503 | F | 62.1 | Low | 61.7 | Low | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -77 | 40.3 | 177.5 | -95.1 | -73.4 | 0 | 0 | 0 | 112.9 | L348 L379 L380 I381 I394 Y423 M425 P441 I443 | L348-F503 CarbonylContact C-O 3.51Å; L348-F503 HydrophobicContact CD2-CB 4.11Å; L348-F503 VanDerWaalsContact CD2-O 3.28Å; L348-F503 WeakPolarHBondContact CD2-O 3.31Å; L348-F503 WeakPolarHBondContact CG-O 3.36Å; L379-F503 HydrophobicContact CB-CD1 3.78Å; L379-F503 HydrophobicContact CB-CE1 4Å; L379-F503 HydrophobicContact CD2-CD1 4.45Å; L379-F503 HydrophobicContact CD2-CE1 3.86Å; L379-F503 HydrophobicContact CD2-CZ 4.26Å; L380-F503 VanDerWaalsContact C-CD1 3.41Å; L380-F503 WeakPolarHBondContact O-CE1 3.39Å; I381-F503 HydrophobicContact CD1-CB 3.97Å; I381-F503 HydrophobicContact CD1-CD1 4.12Å; I381-F503 HydrophobicContact CD1-CD2 3.41Å; I381-F503 VanDerWaalsContact CD1-CD2 3.41Å; I381-F503 HydrophobicContact CD1-CE1 4.41Å; I381-F503 HydrophobicContact CD1-CE2 3.76Å; I381-F503 HydrophobicContact CD1-CG 3.58Å; I381-F503 HydrophobicContact CD1-CZ 4.24Å; I381-F503 HydrophobicContact CG1-CB 4.03Å; I381-F503 HydrophobicContact CG1-CD1 3.62Å; I381-F503 HydrophobicContact CG1-CD2 3.9Å; I381-F503 HydrophobicContact CG1-CE1 3.89Å; I381-F503 HydrophobicContact CG1-CE2 4.15Å; I381-F503 HydrophobicContact CG1-CG 3.6Å; I381-F503 HydrophobicContact CG1-CZ 4.13Å; I394-F503 HydrophobicContact CG2-CE1 4.19Å; I394-F503 HydrophobicContact CG2-CZ 3.95Å; Y423-F503 HydrophobicContact CD1-CD2 4.39Å; Y423-F503 AromaticContact CD2-CD2 3.62Å; Y423-F503 HydrophobicContact CD2-CD2 3.62Å; Y423-F503 HydrophobicContact CD2-CE2 4.4Å; Y423-F503 HydrophobicContact CE1-CB 4.2Å; Y423-F503 HydrophobicContact CE2-CB 4.06Å; Y423-F503 AromaticContact CE2-CD2 3.89Å; Y423-F503 HydrophobicContact CE2-CD2 3.89Å; Y423-F503 HydrophobicContact CE2-CG 4.46Å; Y423-F503 AromaticContact CG-CD2 3.86Å; Y423-F503 HydrophobicContact CG-CD2 3.86Å; Y423-F503 PolarHBondContact OH-N 3.16Å; M425-F503 HydrophobicContact SD-CE2 4.16Å; P441-F503 HydrophobicContact CB-CE2 3.48Å; P441-F503 VanDerWaalsContact CB-CE2 3.48Å; P441-F503 HydrophobicContact CB-CZ 3.43Å; P441-F503 VanDerWaalsContact CB-CZ 3.43Å; P441-F503 HydrophobicContact CG-CE2 4.48Å; P441-F503 HydrophobicContact CG-CZ 3.97Å; I443-F503 HydrophobicContact CD1-CE2 3.82Å; I443-F503 HydrophobicContact CD1-CZ 3.96Å; I443-F503 HydrophobicContact CG1-CE2 4.28Å |
| 504 | G | 62.8 | Low | 62.6 | Low | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | 95.4 | 148.7 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | R349 D350 W502 | R349-G504 CarbonylContact O-C 3.46Å; R349-G504 WeakPolarHBondContact O-CA 3.07Å; D350-G504 VanDerWaalsContact N-CA 3.31Å; W502-G504 PolarHBondContact O-N 3.29Å | ||
| 505 | R | 69 | Low | 63.1 | Low | 40 Ų | 40 | 38.5 Ų | 38.5 | 15% | 0.151 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -91.5 | -9.3 | 174.2 | -62.7 | -167.4 | 65.7 | -172.3 | -6.8 | 114.3 | N148 L295 R349 D350 | N148-R505 PolarHBondContact OD1-NH1 2.89Å; L295-R505 PolarHBondContact N-O 3.11Å; L295-R505 PolarHBondContact O-NH2 3.34Å; R349-R505 PolarHBondContact O-N 2.85Å; D350-R505 PolarHBondContact OD1-N 2.6Å |
| 506 | T | 74.3 | Confident | 64 | Low | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 119.9 | -176.5 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | T292 K294 L348 R349 D351 Y508 | T292-T506 HydrophobicContact CG2-CG2 3.46Å; T292-T506 VanDerWaalsContact CG2-CG2 3.46Å; K294-T506 PolarHBondContact NZ-OG1 2.87Å; L348-T506 WeakPolarHBondContact CA-O 3.38Å; R349-T506 PolarHBondContact N-O 3.38Å; R349-T506 WeakPolarHBondContact O-CB 3.35Å; R349-T506 PolarHBondContact O-N 2.89Å; D351-T506 WeakPolarHBondContact OD2-CB 3.46Å; D351-T506 WeakPolarHBondContact OD2-CG2 3.2Å; D351-T506 PolarHBondContact OD2-OG1 3.48Å; T506-Y508 HydrophobicContact CG2-CD2 4Å; T506-Y508 HydrophobicContact CG2-CE2 3.47Å; T506-Y508 VanDerWaalsContact CG2-CE2 3.47Å |
| 507 | L | 82.9 | Confident | 64.9 | Low | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 109.3 | 174.5 | -178.8 | 59.9 | 0 | 0 | 0 | 110.2 | T292 L293 L295 F346 L348 L509 V544 L551 | T292-L507 WeakPolarHBondContact CA-O 3.41Å; L293-L507 PolarHBondContact N-O 2.87Å; L293-L507 PolarHBondContact O-N 3.43Å; L295-L507 HydrophobicContact CD2-CB 4.39Å; F346-L507 HydrophobicContact CB-CD1 4.15Å; F346-L507 HydrophobicContact CD2-CD1 3.79Å; F346-L507 HydrophobicContact CG-CD1 4.38Å; L348-L507 HydrophobicContact CD1-CB 3.78Å; L348-L507 HydrophobicContact CD1-CD1 4.06Å; L348-L507 HydrophobicContact CD1-CG 4.47Å; L507-L509 HydrophobicContact CD1-CD2 4.12Å; L507-L509 HydrophobicContact CD2-CD2 4.11Å; L507-L509 HydrophobicContact CD2-CG 4.46Å; L507-L509 HydrophobicContact CG-CD2 3.98Å; L507-L509 HydrophobicContact CG-CG 4.19Å; L507-V544 HydrophobicContact CD2-CG1 3.91Å; L507-L551 HydrophobicContact CD2-CD1 4.34Å |
| 508 | Y | 83.8 | Confident | 65.4 | Low | 38 Ų | 38 | 31.7 Ų | 31.7 | 15% | 0.149 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 133.9 | 165.6 | -64.6 | -88.5 | 0 | 0 | 0 | 109.6 | F290 I291 T292 F346 L347 T506 M512 | F290-Y508 HydrophobicContact CD2-CD1 4.4Å; I291-Y508 CarbonylContact O-C 3.48Å; I291-Y508 WeakPolarHBondContact O-CA 3.3Å; T292-Y508 HydrophobicContact CG2-CD1 4.17Å; T292-Y508 HydrophobicContact CG2-CE1 3.82Å; T292-Y508 VanDerWaalsContact OG1-CD1 3.24Å; T292-Y508 WeakPolarHBondContact OG1-CD1 3.01Å; T292-Y508 VanDerWaalsContact OG1-CE1 3.22Å; T292-Y508 WeakPolarHBondContact OG1-CE1 3.49Å; F346-Y508 CarbonylContact C-O 3.58Å; F346-Y508 WeakPolarHBondContact CA-O 3.5Å; F346-Y508 WeakPolarHBondContact CB-O 3.37Å; L347-Y508 PolarHBondContact N-O 3.28Å; L347-Y508 PolarHBondContact O-N 2.8Å; T506-Y508 HydrophobicContact CG2-CD2 4Å; T506-Y508 HydrophobicContact CG2-CE2 3.47Å; T506-Y508 VanDerWaalsContact CG2-CE2 3.47Å; Y508-M512 HydrophobicContact CD1-CB 4.08Å; Y508-M512 HydrophobicContact CE1-CB 4.43Å |
| 509 | L | 87.1 | Confident | 65.9 | Low | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 140.1 | 175.3 | -61.8 | 174.8 | 0 | 0 | 0 | 109.8 | F290 I291 L293 F346 L507 G511 I541 V544 L553 | F290-L509 WeakPolarHBondContact CA-O 3.31Å; I291-L509 HydrophobicContact CB-CB 4.33Å; I291-L509 PolarHBondContact N-O 3.42Å; I291-L509 PolarHBondContact O-N 2.85Å; L293-L509 HydrophobicContact CD1-CD1 3.94Å; F346-L509 HydrophobicContact CB-CD2 3.88Å; L507-L509 HydrophobicContact CD1-CD2 4.12Å; L507-L509 HydrophobicContact CD2-CD2 4.11Å; L507-L509 HydrophobicContact CD2-CG 4.46Å; L507-L509 HydrophobicContact CG-CD2 3.98Å; L507-L509 HydrophobicContact CG-CG 4.19Å; L509-G511 PolarHBondContact O-N 2.81Å; L509-I541 HydrophobicContact CB-CD1 4.14Å; L509-I541 HydrophobicContact CD2-CD1 4.34Å; L509-V544 HydrophobicContact CD1-CG2 4.02Å; L509-V544 HydrophobicContact CD2-CG2 4.32Å; L509-L553 HydrophobicContact CD1-CD2 3.94Å |
| 510 | S | 83.7 | Confident | 66.5 | Low | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 65.3 | -22.5 | -179.1 | 179.9 | 0 | 0 | 0 | 0 | 117.1 | F279 M289 L344 L345 H536 F537 | F279-S510 WeakPolarHBondContact CD1-OG 3.08Å; F279-S510 WeakPolarHBondContact CG-OG 3.46Å; M289-S510 PolarHBondContact O-OG 3.37Å; M289-S510 VanDerWaalsContact O-OG 3.05Å; L344-S510 CarbonylContact O-C 3.27Å; L344-S510 VanDerWaalsContact O-CA 3.22Å; L344-S510 WeakPolarHBondContact O-CA 3.36Å; L345-S510 PolarHBondContact O-N 3.46Å; S510-H536 CarbonylContact O-C 3.59Å; S510-H536 WeakPolarHBondContact O-CA 3.47Å; S510-H536 VanDerWaalsContact O-CB 3.24Å; S510-H536 WeakPolarHBondContact O-CB 3.37Å; S510-F537 PolarHBondContact O-N 2.83Å; S510-F537 PolarHBondContact OG-O 3.27Å |
| 511 | G | 79.5 | Confident | 66.7 | Low | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | trans | 174.9 | -159.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F290 L509 | F290-G511 WeakPolarHBondContact CB-O 3.34Å; L509-G511 PolarHBondContact O-N 2.81Å | ||
| 512 | M | 74.2 | Confident | 66.9 | Low | 7 Ų | 7 | 21.9 Ų | 21.9 | 3% | 0.034 | 11% | 0.11 | C | C | . | . | trans | -150.2 | 176.4 | 172.5 | 60.3 | 174.7 | 62.1 | 0 | 0 | 110.3 | F290 L344 L347 Y508 Y514 L522 I524 I530 | F290-M512 VanDerWaalsContact CD1-C 3.44Å; F290-M512 WeakPolarHBondContact CD1-O 3.43Å; L344-M512 HydrophobicContact CD2-CE 3.94Å; L347-M512 HydrophobicContact CD2-CE 3.42Å; L347-M512 VanDerWaalsContact CD2-CE 3.42Å; Y508-M512 HydrophobicContact CD1-CB 4.08Å; Y508-M512 HydrophobicContact CE1-CB 4.43Å; M512-Y514 VanDerWaalsContact C-N 3.3Å; M512-Y514 HydrophobicContact CG-CD1 3.7Å; M512-Y514 HydrophobicContact CG-CE1 3.65Å; M512-Y514 HydrophobicContact CG-CG 4.21Å; M512-Y514 VanDerWaalsContact O-CD2 3.28Å; M512-Y514 WeakPolarHBondContact O-CD2 3.42Å; M512-Y514 PolarHBondContact O-N 2.76Å; M512-Y514 HydrophobicContact SD-CD1 4.33Å; M512-Y514 HydrophobicContact SD-CE1 4.37Å; M512-L522 HydrophobicContact SD-CD2 4.48Å; M512-I524 HydrophobicContact CE-CD1 4.35Å; M512-I530 HydrophobicContact CE-CD1 3.37Å; M512-I530 HydrophobicContact CE-CG1 3.98Å; M512-I530 HydrophobicContact SD-CD1 3.8Å; M512-I530 HydrophobicContact SD-CG1 4Å | ||
| 513 | N | 70.8 | Confident | 66.7 | Low | 53 Ų | 53 | 21.3 Ų | 21.3 | 28% | 0.283 | 11% | 0.108 | S | C | . | . | trans | -74.4 | 87 | 168 | -171.5 | -30 | 0 | 0 | 0 | 109.1 | F290 T515 K516 S517 | F290-N513 HydrophobicContact CE1-CB 3.94Å; F290-N513 HydrophobicContact CZ-CB 3.73Å; N513-T515 VanDerWaalsContact C-N 3.3Å; N513-T515 PolarHBondContact O-N 3.08Å; N513-T515 WeakPolarHBondContact OD1-CB 3.37Å; N513-T515 PolarHBondContact OD1-N 3.17Å; N513-K516 HydrophobicContact CB-CB 4.2Å; N513-K516 PolarHBondContact O-N 3.27Å; N513-K516 WeakPolarHBondContact OD1-CB 3.3Å; N513-K516 PolarHBondContact OD1-N 3.38Å; N513-S517 WeakPolarHBondContact O-CB 3.24Å; N513-S517 PolarHBondContact O-N 3.06Å; N513-S517 PolarHBondContact O-OG 3.49Å | ||
| 514 | Y | 66.3 | Low | 66.5 | Low | 10 Ų | 10 | 21.5 Ų | 21.5 | 4% | 0.039 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.3 | -38.8 | 180 | -61.9 | -74.3 | 0 | 0 | 0 | 111.6 | M512 K516 S517 I518 I530 Y534 Q535 | M512-Y514 VanDerWaalsContact C-N 3.3Å; M512-Y514 HydrophobicContact CG-CD1 3.7Å; M512-Y514 HydrophobicContact CG-CE1 3.65Å; M512-Y514 HydrophobicContact CG-CG 4.21Å; M512-Y514 VanDerWaalsContact O-CD2 3.28Å; M512-Y514 WeakPolarHBondContact O-CD2 3.42Å; M512-Y514 PolarHBondContact O-N 2.76Å; M512-Y514 HydrophobicContact SD-CD1 4.33Å; M512-Y514 HydrophobicContact SD-CE1 4.37Å; Y514-K516 PolarHBondContact O-N 3.12Å; Y514-S517 CarbonylContact O-C 3.57Å; Y514-S517 WeakPolarHBondContact O-CA 3.33Å; Y514-S517 VanDerWaalsContact O-CB 3.27Å; Y514-S517 WeakPolarHBondContact O-CB 3.45Å; Y514-S517 PolarHBondContact O-N 3.11Å; Y514-I518 WeakPolarHBondContact O-CD1 3.49Å; Y514-I518 VanDerWaalsContact O-CG1 3.23Å; Y514-I518 WeakPolarHBondContact O-CG1 3.19Å; Y514-I518 PolarHBondContact O-N 3.13Å; Y514-I530 HydrophobicContact CE1-CG1 4.07Å; Y514-Y534 AromaticContact CD1-CD1 3.64Å; Y514-Y534 HydrophobicContact CD1-CD1 3.64Å; Y514-Y534 HydrophobicContact CD1-CE1 4.48Å; Y514-Y534 HydrophobicContact CD1-CG 4.4Å; Y514-Y534 HydrophobicContact CD2-CD1 4.47Å; Y514-Y534 HydrophobicContact CD2-CG 4.46Å; Y514-Y534 HydrophobicContact CE1-CD1 4.4Å; Y514-Y534 VanDerWaalsContact CE2-O 3.22Å; Y514-Y534 WeakPolarHBondContact CE2-O 3.24Å; Y514-Y534 AromaticContact CG-CD1 3.67Å; Y514-Y534 HydrophobicContact CG-CD1 3.67Å; Y514-Y534 HydrophobicContact CG-CG 4.04Å; Y514-Q535 PolarHBondContact OH-O 3.37Å |
| 515 | T | 58.1 | Low | 65.9 | Low | 38 Ų | 38 | 21.6 Ų | 21.6 | 23% | 0.233 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.6 | -53.9 | 176 | -37.9 | 0 | 0 | 0 | 0 | 112.2 | N513 S517 I518 E519 F871 | N513-T515 VanDerWaalsContact C-N 3.3Å; N513-T515 PolarHBondContact O-N 3.08Å; N513-T515 WeakPolarHBondContact OD1-CB 3.37Å; N513-T515 PolarHBondContact OD1-N 3.17Å; T515-S517 PolarHBondContact O-N 3.22Å; T515-I518 WeakPolarHBondContact O-CB 3.44Å; T515-I518 PolarHBondContact O-N 3.09Å; T515-E519 WeakPolarHBondContact O-CG 3.36Å; T515-E519 PolarHBondContact O-N 2.91Å; T515-F871 HydrophobicContact CG2-CD1 3.8Å; T515-F871 HydrophobicContact CG2-CE1 4.03Å |
| 516 | K | 60 | Low | 65.2 | Low | 79 Ų | 79 | 20.2 Ų | 20.2 | 34% | 0.343 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -68.5 | -21 | 177.3 | -165.7 | 173 | -175.8 | -178 | 0 | 111.9 | L119 N513 Y514 N520 | L119-K516 PolarHBondContact O-NZ 3.32Å; N513-K516 HydrophobicContact CB-CB 4.2Å; N513-K516 PolarHBondContact O-N 3.27Å; N513-K516 WeakPolarHBondContact OD1-CB 3.3Å; N513-K516 PolarHBondContact OD1-N 3.38Å; Y514-K516 PolarHBondContact O-N 3.12Å; K516-N520 PolarHBondContact O-N 3.02Å; K516-N520 PolarHBondContact O-ND2 3.4Å |
| 517 | S | 61.9 | Low | 64.8 | Low | 14 Ų | 14 | 20.2 Ų | 20.2 | 10% | 0.098 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -72.5 | -46 | 171.9 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | N513 Y514 T515 N520 G521 L522 | N513-S517 WeakPolarHBondContact O-CB 3.24Å; N513-S517 PolarHBondContact O-N 3.06Å; N513-S517 PolarHBondContact O-OG 3.49Å; Y514-S517 CarbonylContact O-C 3.57Å; Y514-S517 WeakPolarHBondContact O-CA 3.33Å; Y514-S517 VanDerWaalsContact O-CB 3.27Å; Y514-S517 WeakPolarHBondContact O-CB 3.45Å; Y514-S517 PolarHBondContact O-N 3.11Å; T515-S517 PolarHBondContact O-N 3.22Å; S517-N520 PolarHBondContact O-N 3.13Å; S517-G521 PolarHBondContact O-N 2.89Å; S517-L522 VanDerWaalsContact O-CB 3.3Å; S517-L522 WeakPolarHBondContact O-CB 3.43Å; S517-L522 PolarHBondContact O-N 2.89Å; S517-L522 WeakPolarHBondContact OG-CD2 3.42Å |
| 518 | I | 57.6 | Low | 63.9 | Low | 11 Ų | 11 | 21.1 Ų | 21.1 | 6% | 0.056 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.5 | -50.2 | 175.8 | -63.4 | 158.2 | 0 | 0 | 0 | 110.7 | Y514 T515 N520 G521 Y534 L844 W876 | Y514-I518 WeakPolarHBondContact O-CD1 3.49Å; Y514-I518 VanDerWaalsContact O-CG1 3.23Å; Y514-I518 WeakPolarHBondContact O-CG1 3.19Å; Y514-I518 PolarHBondContact O-N 3.13Å; T515-I518 WeakPolarHBondContact O-CB 3.44Å; T515-I518 PolarHBondContact O-N 3.09Å; I518-N520 VanDerWaalsContact C-N 3.27Å; I518-N520 PolarHBondContact O-N 3.26Å; I518-G521 PolarHBondContact O-N 3.01Å; I518-G521 VanDerWaalsContact O-N 3.07Å; I518-Y534 HydrophobicContact CD1-CE1 3.94Å; I518-Y534 HydrophobicContact CD1-CE2 3.91Å; I518-Y534 VanDerWaalsContact CD1-CZ 3.44Å; I518-Y534 WeakPolarHBondContact CD1-OH 3.26Å; I518-Y534 HydrophobicContact CG1-CE1 4.3Å; I518-L844 HydrophobicContact CD1-CD2 4.34Å; I518-L844 HydrophobicContact CG2-CD2 4.45Å; I518-W876 HydrophobicContact CG2-CH2 3.78Å; I518-W876 HydrophobicContact CG2-CZ2 3.58Å |
| 519 | E | 55.1 | Low | 62.8 | Low | 34 Ų | 34 | 19.4 Ų | 19.4 | 16% | 0.159 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.6 | -36.5 | -179.6 | -74.6 | 178.8 | 153.1 | 0 | 0 | 112.7 | T515 S872 | T515-E519 WeakPolarHBondContact O-CG 3.36Å; T515-E519 PolarHBondContact O-N 2.91Å; E519-S872 PolarHBondContact OE1-OG 2.81Å |
| 520 | N | 55.3 | Low | 61.5 | Low | 70 Ų | 70 | 19.8 Ų | 19.8 | 37% | 0.374 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 6.2 | 178.8 | -68.7 | -71.5 | 0 | 0 | 0 | 114.4 | L356 K516 S517 I518 L522 | L356-N520 HydrophobicContact CD1-CB 3.59Å; K516-N520 PolarHBondContact O-N 3.02Å; K516-N520 PolarHBondContact O-ND2 3.4Å; S517-N520 PolarHBondContact O-N 3.13Å; I518-N520 VanDerWaalsContact C-N 3.27Å; I518-N520 PolarHBondContact O-N 3.26Å; N520-L522 VanDerWaalsContact C-N 3.32Å; N520-L522 PolarHBondContact O-N 3.19Å |
| 521 | G | 49.8 | Very low | 59.9 | Low | 16 Ų | 16 | 20.7 Ų | 20.7 | 17% | 0.165 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 32.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S517 I518 F523 | S517-G521 PolarHBondContact O-N 2.89Å; I518-G521 PolarHBondContact O-N 3.01Å; I518-G521 VanDerWaalsContact O-N 3.07Å; G521-F523 VanDerWaalsContact C-N 3.34Å; G521-F523 PolarHBondContact O-N 3.44Å |
| 522 | L | 53.2 | Low | 58.8 | Low | 23 Ų | 23 | 21.6 Ų | 21.6 | 12% | 0.12 | 12% | 0.117 | C | C | . | . | trans | -73.1 | 82.4 | -176.5 | -175.9 | 71.1 | 0 | 0 | 0 | 111.8 | L356 M512 S517 N520 I524 | L356-L522 HydrophobicContact CD1-CB 4.45Å; L356-L522 HydrophobicContact CD1-CD1 4.06Å; L356-L522 HydrophobicContact CD2-CD1 3.51Å; L356-L522 HydrophobicContact CG-CD1 4.46Å; M512-L522 HydrophobicContact SD-CD2 4.48Å; S517-L522 VanDerWaalsContact O-CB 3.3Å; S517-L522 WeakPolarHBondContact O-CB 3.43Å; S517-L522 PolarHBondContact O-N 2.89Å; S517-L522 WeakPolarHBondContact OG-CD2 3.42Å; N520-L522 VanDerWaalsContact C-N 3.32Å; N520-L522 PolarHBondContact O-N 3.19Å; L522-I524 HydrophobicContact CD1-CG1 4.21Å; L522-I524 HydrophobicContact CD2-CD1 4.2Å; L522-I524 HydrophobicContact CD2-CG1 4.33Å; L522-I524 HydrophobicContact CG-CD1 4.37Å; L522-I524 HydrophobicContact CG-CG1 3.98Å; L522-I524 PolarHBondContact O-N 2.75Å | ||
| 523 | F | 52.7 | Low | 57.8 | Low | 12 Ų | 12 | 25 Ų | 25 | 5% | 0.053 | 13% | 0.131 | C | C | . | . | trans | -76.2 | 116.6 | 162.3 | -173.1 | -122.6 | 0 | 0 | 0 | 110.1 | Y359 G521 P525 H531 Y652 E801 | Y359-F523 HydrophobicContact CD2-CB 4.46Å; Y359-F523 HydrophobicContact CE2-CB 4.38Å; Y359-F523 VanDerWaalsContact CE2-O 3.25Å; Y359-F523 WeakPolarHBondContact CE2-O 3.4Å; Y359-F523 PolarHBondContact OH-O 3.45Å; G521-F523 VanDerWaalsContact C-N 3.34Å; G521-F523 PolarHBondContact O-N 3.44Å; F523-P525 HydrophobicContact CD1-CG 3.84Å; F523-P525 HydrophobicContact CE1-CB 3.88Å; F523-P525 HydrophobicContact CE1-CG 3.56Å; F523-P525 HydrophobicContact CZ-CB 4.18Å; F523-P525 HydrophobicContact CZ-CG 4.32Å; F523-H531 AromaticContact CD2-CE1 3.32Å; F523-H531 WeakPolarHBondContact CD2-CE1 3.36Å; F523-H531 AromaticContact CD2-ND1 3.98Å; F523-H531 AromaticContact CD2-NE2 3.69Å; F523-H531 AromaticContact CE2-CE1 3.59Å; F523-H531 AromaticContact CE2-NE2 3.49Å; F523-H531 WeakPolarHBondContact CE2-NE2 3.44Å; F523-Y652 WeakPolarHBondContact CD2-O 3.33Å; F523-Y652 VanDerWaalsContact CE2-O 3.22Å; F523-Y652 WeakPolarHBondContact CE2-O 3.47Å; F523-E801 HydrophobicContact CE1-CG 3.91Å; F523-E801 HydrophobicContact CZ-CG 3.97Å | ||
| 524 | I | 58.5 | Low | 57.4 | Low | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | trans | -107.3 | 104.2 | 163.4 | -50.6 | -169.7 | 0 | 0 | 0 | 107.9 | L347 L380 M512 L522 I527 I530 H531 | L347-I524 HydrophobicContact CD2-CD1 3.73Å; L380-I524 HydrophobicContact CD2-CG2 3.37Å; M512-I524 HydrophobicContact CE-CD1 4.35Å; L522-I524 HydrophobicContact CD1-CG1 4.21Å; L522-I524 HydrophobicContact CD2-CD1 4.2Å; L522-I524 HydrophobicContact CD2-CG1 4.33Å; L522-I524 HydrophobicContact CG-CD1 4.37Å; L522-I524 HydrophobicContact CG-CG1 3.98Å; L522-I524 PolarHBondContact O-N 2.75Å; I524-I527 HydrophobicContact CB-CD1 4.26Å; I524-I527 HydrophobicContact CB-CG1 4.49Å; I524-I527 HydrophobicContact CG2-CD1 3.61Å; I524-I527 HydrophobicContact CG2-CG1 3.92Å; I524-I530 HydrophobicContact CB-CD1 4.04Å; I524-I530 HydrophobicContact CD1-CD1 3.82Å; I524-I530 HydrophobicContact CG1-CD1 4.1Å; I524-H531 PolarHBondContact O-NE2 2.79Å | ||
| 525 | P | 50.1 | Low | 57.3 | Low | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 144.3 | 178.7 | -16.9 | 24.8 | 0 | 0 | 0 | 111.8 | W401 F523 I527 | W401-P525 HydrophobicContact CD2-CB 3.82Å; W401-P525 HydrophobicContact CE3-CB 3.44Å; W401-P525 VanDerWaalsContact CE3-CB 3.44Å; W401-P525 HydrophobicContact CE3-CG 4.2Å; W401-P525 HydrophobicContact CH2-CB 3.55Å; W401-P525 HydrophobicContact CH2-CG 4.47Å; W401-P525 HydrophobicContact CZ2-CB 3.93Å; W401-P525 HydrophobicContact CZ3-CB 3.3Å; W401-P525 HydrophobicContact CZ3-CG 3.94Å; F523-P525 HydrophobicContact CD1-CG 3.84Å; F523-P525 HydrophobicContact CE1-CB 3.88Å; F523-P525 HydrophobicContact CE1-CG 3.56Å; F523-P525 HydrophobicContact CZ-CB 4.18Å; F523-P525 HydrophobicContact CZ-CG 4.32Å; P525-I527 VanDerWaalsContact C-N 3.34Å; P525-I527 PolarHBondContact O-N 3.27Å |
| 526 | G | 54.7 | Low | 58 | Low | 12 Ų | 12 | 24.4 Ų | 24.4 | 12% | 0.124 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -10.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | R386 | R386-G526 PolarHBondContact NH2-O 3.24Š|
| 527 | I | 65.9 | Low | 59 | Low | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -99.5 | 99.5 | 177.2 | -49 | -173.9 | 0 | 0 | 0 | 111.1 | L344 L347 L380 E384 I393 I524 P525 N529 I530 H531 | L344-I527 HydrophobicContact CD1-CG2 3.99Å; L347-I527 HydrophobicContact CD1-CD1 3.84Å; L347-I527 HydrophobicContact CD2-CD1 4.22Å; L380-I527 HydrophobicContact CD1-CD1 4.22Å; E384-I527 WeakPolarHBondContact OE2-CG2 3.42Å; I393-I527 HydrophobicContact CD1-CG1 4.39Å; I393-I527 HydrophobicContact CG2-CG1 4.21Å; I524-I527 HydrophobicContact CB-CD1 4.26Å; I524-I527 HydrophobicContact CB-CG1 4.49Å; I524-I527 HydrophobicContact CG2-CD1 3.61Å; I524-I527 HydrophobicContact CG2-CG1 3.92Å; P525-I527 VanDerWaalsContact C-N 3.34Å; P525-I527 PolarHBondContact O-N 3.27Å; I527-N529 PolarHBondContact O-N 3.18Å; I527-I530 HydrophobicContact CB-CD1 3.79Å; I527-I530 HydrophobicContact CB-CG1 4.16Å; I527-I530 HydrophobicContact CD1-CD1 3.91Å; I527-I530 HydrophobicContact CG1-CD1 4.38Å; I527-I530 HydrophobicContact CG2-CB 4.5Å; I527-I530 HydrophobicContact CG2-CD1 3.71Å; I527-I530 HydrophobicContact CG2-CG1 3.74Å; I527-I530 PolarHBondContact O-N 2.82Å; I527-H531 PolarHBondContact O-CD2 3.01Å; I527-H531 PolarHBondContact O-NE2 2.85Å | ||
| 528 | Q | 63.1 | Low | 59.7 | Low | 19 Ų | 19 | 21.4 Ų | 21.4 | 9% | 0.089 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -27.3 | -170.9 | -66 | -158.8 | -19 | 0 | 0 | 114.2 | E384 I530 H531 N532 L655 N778 | E384-Q528 PolarHBondContact OE1-N 2.82Å; E384-Q528 PolarHBondContact OE2-N 2.83Å; Q528-I530 VanDerWaalsContact C-N 3.29Å; Q528-I530 PolarHBondContact O-N 3.04Å; Q528-H531 PolarHBondContact O-N 2.85Å; Q528-N532 WeakPolarHBondContact O-CB 3.44Å; Q528-L655 HydrophobicContact CB-CD1 3.71Å; Q528-L655 VanDerWaalsContact CD-CD1 3.44Å; Q528-L655 HydrophobicContact CG-CD1 3.69Å; Q528-N778 PolarHBondContact NE2-OD1 2.92Å; Q528-N778 PolarHBondContact OE1-ND2 3.16Å; Q528-N778 VanDerWaalsContact OE1-ND2 3.08Å |
| 529 | N | 62.1 | Low | 60.9 | Low | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.011 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -15.9 | 177.7 | -73.2 | -78.9 | 0 | 0 | 0 | 113.8 | N342 G343 E384 F385 I527 | N342-N529 WeakPolarHBondContact CB-OD1 3.22Å; G343-N529 PolarHBondContact N-ND2 3.38Å; G343-N529 PolarHBondContact N-OD1 3.33Å; E384-N529 WeakPolarHBondContact OE2-CB 3.36Å; E384-N529 PolarHBondContact OE2-N 2.82Å; E384-N529 PolarHBondContact OE2-ND2 3.02Å; F385-N529 PolarHBondContact O-ND2 2.8Å; I527-N529 PolarHBondContact O-N 3.18Å |
| 530 | I | 58.2 | Low | 62.2 | Low | 9 Ų | 9 | 19.2 Ų | 19.2 | 5% | 0.046 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -26.1 | 171.5 | -61.6 | 175.7 | 0 | 0 | 0 | 110.9 | M512 Y514 I524 I527 Q528 Y534 | M512-I530 HydrophobicContact CE-CD1 3.37Å; M512-I530 HydrophobicContact CE-CG1 3.98Å; M512-I530 HydrophobicContact SD-CD1 3.8Å; M512-I530 HydrophobicContact SD-CG1 4Å; Y514-I530 HydrophobicContact CE1-CG1 4.07Å; I524-I530 HydrophobicContact CB-CD1 4.04Å; I524-I530 HydrophobicContact CD1-CD1 3.82Å; I524-I530 HydrophobicContact CG1-CD1 4.1Å; I527-I530 HydrophobicContact CB-CD1 3.79Å; I527-I530 HydrophobicContact CB-CG1 4.16Å; I527-I530 HydrophobicContact CD1-CD1 3.91Å; I527-I530 HydrophobicContact CG1-CD1 4.38Å; I527-I530 HydrophobicContact CG2-CB 4.5Å; I527-I530 HydrophobicContact CG2-CD1 3.71Å; I527-I530 HydrophobicContact CG2-CG1 3.74Å; I527-I530 PolarHBondContact O-N 2.82Å; Q528-I530 VanDerWaalsContact C-N 3.29Å; Q528-I530 PolarHBondContact O-N 3.04Å; I530-Y534 WeakPolarHBondContact O-CE1 3.47Å |
| 531 | H | 51.8 | Low | 63.6 | Low | 18 Ų | 18 | 16 Ų | 16 | 8% | 0.083 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -107.1 | 15.7 | -171.3 | -52.2 | -45.3 | 0 | 0 | 0 | 114.3 | F523 I524 I527 Q528 | F523-H531 AromaticContact CD2-CE1 3.32Å; F523-H531 WeakPolarHBondContact CD2-CE1 3.36Å; F523-H531 AromaticContact CD2-ND1 3.98Å; F523-H531 AromaticContact CD2-NE2 3.69Å; F523-H531 AromaticContact CE2-CE1 3.59Å; F523-H531 AromaticContact CE2-NE2 3.49Å; F523-H531 WeakPolarHBondContact CE2-NE2 3.44Å; I524-H531 PolarHBondContact O-NE2 2.79Å; I527-H531 PolarHBondContact O-CD2 3.01Å; I527-H531 PolarHBondContact O-NE2 2.85Å; Q528-H531 PolarHBondContact O-N 2.85Å |
| 532 | N | 56 | Low | 65.2 | Low | 20 Ų | 20 | 16.4 Ų | 16.4 | 11% | 0.107 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -141.3 | -136 | -166.7 | -164.8 | -14.1 | 0 | 0 | 0 | 110.7 | Q528 Y534 L655 | Q528-N532 WeakPolarHBondContact O-CB 3.44Å; N532-Y534 PolarHBondContact O-N 3.08Å; N532-L655 HydrophobicContact CB-CD2 4.43Å |
| 533 | K | 53.1 | Low | 66.6 | Low | 79 Ų | 79 | 18.4 Ų | 18.4 | 34% | 0.343 | 9% | 0.087 | S | C | . | . | S | Bend | trans | -67.8 | 18.5 | -179.6 | -79 | 173.2 | 178.3 | 169 | 0 | 115.8 | Q535 W657 E774 | K533-Q535 HydrophobicContact CB-CG 3.48Å; K533-Q535 VanDerWaalsContact CB-CG 3.48Å; K533-Q535 VanDerWaalsContact O-CG 3.24Å; K533-Q535 WeakPolarHBondContact O-CG 3.31Å; K533-Q535 PolarHBondContact O-N 3.35Å; K533-W657 HydrophobicContact CB-CZ3 4.39Å; K533-W657 HydrophobicContact CD-CD2 4.43Å; K533-W657 HydrophobicContact CD-CE3 4.44Å; K533-W657 HydrophobicContact CD-CH2 4.25Å; K533-W657 HydrophobicContact CD-CZ2 4.21Å; K533-W657 HydrophobicContact CD-CZ3 4.34Å; K533-W657 VanDerWaalsContact CE-CH2 3.47Å; K533-W657 HydrophobicContact CG-CD2 3.9Å; K533-W657 HydrophobicContact CG-CE3 3.48Å; K533-W657 VanDerWaalsContact CG-CE3 3.48Å; K533-W657 HydrophobicContact CG-CH2 3.74Å; K533-W657 HydrophobicContact CG-CZ2 4.11Å; K533-W657 HydrophobicContact CG-CZ3 3.38Å; K533-E774 IonicContact NZ-OE1 3.22Å; K533-E774 PolarHBondContact NZ-OE1 2.88Å |
| 534 | Y | 62.1 | Low | 68.2 | Low | 38 Ų | 38 | 17.9 Ų | 17.9 | 15% | 0.149 | 8% | 0.084 | C | C | . | . | trans | 44.2 | 38.4 | -177.6 | -56.8 | -54 | 0 | 0 | 0 | 114.6 | Y514 I518 I530 N532 H536 N842 | Y514-Y534 AromaticContact CD1-CD1 3.64Å; Y514-Y534 HydrophobicContact CD1-CD1 3.64Å; Y514-Y534 HydrophobicContact CD1-CE1 4.48Å; Y514-Y534 HydrophobicContact CD1-CG 4.4Å; Y514-Y534 HydrophobicContact CD2-CD1 4.47Å; Y514-Y534 HydrophobicContact CD2-CG 4.46Å; Y514-Y534 HydrophobicContact CE1-CD1 4.4Å; Y514-Y534 VanDerWaalsContact CE2-O 3.22Å; Y514-Y534 WeakPolarHBondContact CE2-O 3.24Å; Y514-Y534 AromaticContact CG-CD1 3.67Å; Y514-Y534 HydrophobicContact CG-CD1 3.67Å; Y514-Y534 HydrophobicContact CG-CG 4.04Å; I518-Y534 HydrophobicContact CD1-CE1 3.94Å; I518-Y534 HydrophobicContact CD1-CE2 3.91Å; I518-Y534 VanDerWaalsContact CD1-CZ 3.44Å; I518-Y534 WeakPolarHBondContact CD1-OH 3.26Å; I518-Y534 HydrophobicContact CG1-CE1 4.3Å; I530-Y534 WeakPolarHBondContact O-CE1 3.47Å; N532-Y534 PolarHBondContact O-N 3.08Å; Y534-H536 PolarHBondContact O-N 2.89Å; Y534-N842 WeakPolarHBondContact CE2-O 3.27Å; Y534-N842 PolarHBondContact OH-O 2.74Å | ||
| 535 | Q | 65 | Low | 69.2 | Low | 34 Ų | 34 | 17.8 Ų | 17.8 | 16% | 0.159 | 8% | 0.084 | C | C | . | . | P | Polyproline II helix | trans | -79 | 121.4 | -166.1 | -56.6 | -165.3 | -72.8 | 0 | 0 | 111.5 | N342 G343 L344 Y514 K533 | N342-Q535 PolarHBondContact ND2-OE1 3.09Å; G343-Q535 VanDerWaalsContact CA-O 3.29Å; G343-Q535 WeakPolarHBondContact CA-O 3.47Å; L344-Q535 PolarHBondContact N-O 2.77Å; Y514-Q535 PolarHBondContact OH-O 3.37Å; K533-Q535 HydrophobicContact CB-CG 3.48Å; K533-Q535 VanDerWaalsContact CB-CG 3.48Å; K533-Q535 VanDerWaalsContact O-CG 3.24Å; K533-Q535 WeakPolarHBondContact O-CG 3.31Å; K533-Q535 PolarHBondContact O-N 3.35Å |
| 536 | H | 72.1 | Confident | 70.6 | Confident | 16 Ų | 16 | 18 Ų | 18 | 7% | 0.074 | 9% | 0.085 | C | C | . | . | B | Isolated β-bridge | trans | -75 | 152.9 | 166.8 | 61 | -99.8 | 0 | 0 | 0 | 110.9 | S510 Y534 Q538 | S510-H536 CarbonylContact O-C 3.59Å; S510-H536 WeakPolarHBondContact O-CA 3.47Å; S510-H536 VanDerWaalsContact O-CB 3.24Å; S510-H536 WeakPolarHBondContact O-CB 3.37Å; Y534-H536 PolarHBondContact O-N 2.89Å; H536-Q538 PolarHBondContact O-N 3.28Å |
| 537 | F | 80.8 | Confident | 71.4 | Confident | 3 Ų | 3 | 18.2 Ų | 18.2 | 1% | 0.013 | 8% | 0.083 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 124.8 | 172.3 | 169.9 | -98.7 | 0 | 0 | 0 | 110.6 | F279 F334 S335 L344 L345 F385 S510 I541 | F279-F537 WeakPolarHBondContact CB-O 2.99Å; F279-F537 HydrophobicContact CD2-CD1 4.38Å; F334-F537 HydrophobicContact CB-CZ 4.25Å; F334-F537 HydrophobicContact CD2-CE2 4.13Å; F334-F537 AromaticContact CD2-CZ 3.88Å; F334-F537 HydrophobicContact CD2-CZ 3.88Å; F334-F537 HydrophobicContact CG-CZ 4.4Å; S335-F537 WeakPolarHBondContact O-CZ 3.36Å; L344-F537 WeakPolarHBondContact O-CB 3.42Å; L345-F537 HydrophobicContact CB-CD2 4.44Å; L345-F537 HydrophobicContact CD1-CD1 4.28Å; L345-F537 HydrophobicContact CD1-CD2 3.89Å; L345-F537 HydrophobicContact CD1-CE1 4.16Å; L345-F537 HydrophobicContact CD1-CE2 3.76Å; L345-F537 HydrophobicContact CD1-CG 4.15Å; L345-F537 HydrophobicContact CD1-CZ 3.9Å; F385-F537 AromaticContact CD2-CD2 4Å; F385-F537 HydrophobicContact CD2-CD2 4Å; F385-F537 HydrophobicContact CD2-CE2 4.19Å; F385-F537 AromaticContact CE2-CD2 3.97Å; F385-F537 HydrophobicContact CE2-CD2 3.97Å; F385-F537 AromaticContact CE2-CE2 3.73Å; F385-F537 HydrophobicContact CE2-CE2 3.73Å; S510-F537 PolarHBondContact O-N 2.83Å; S510-F537 PolarHBondContact OG-O 3.27Å; F537-I541 HydrophobicContact CE1-CG1 4.16Å |
| 538 | Q | 77.6 | Confident | 71.5 | Confident | 27 Ų | 27 | 19.7 Ų | 19.7 | 13% | 0.126 | 10% | 0.099 | C | C | . | . | P | Polyproline II helix | trans | -102.4 | 116.7 | 175 | -65.8 | -179.2 | 4.4 | 0 | 0 | 109.6 | F279 Y337 N340 H536 | F279-Q538 WeakPolarHBondContact O-CA 3.41Å; Y337-Q538 VanDerWaalsContact CD2-C 3.47Å; Y337-Q538 HydrophobicContact CD2-CB 4.09Å; Y337-Q538 PolarHBondContact N-O 2.88Å; Y337-Q538 VanDerWaalsContact N-O 3.08Å; N340-Q538 HydrophobicContact CB-CB 4.13Å; N340-Q538 WeakPolarHBondContact ND2-CG 3.48Å; H536-Q538 PolarHBondContact O-N 3.28Å |
| 539 | G | 81.1 | Confident | 71.9 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.1 | -142.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S278 F279 S335 Y337 | S278-G539 WeakPolarHBondContact CA-O 3.47Å; F279-G539 PolarHBondContact N-O 3.08Å; F279-G539 PolarHBondContact O-N 2.88Å; S335-G539 CarbonylContact O-C 3.53Å; S335-G539 VanDerWaalsContact O-CA 3.31Å; S335-G539 WeakPolarHBondContact O-CA 3.23Å; Y337-G539 VanDerWaalsContact CE2-CA 3.43Å |
| 540 | C | 83 | Confident | 72.5 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 130.7 | -174 | -105.1 | 0 | 0 | 0 | 0 | 111 | I277 S278 F334 S335 C584 | I277-C540 CarbonylContact O-C 3.58Å; I277-C540 VanDerWaalsContact O-CA 3.31Å; I277-C540 WeakPolarHBondContact O-CA 3.39Å; S278-C540 VanDerWaalsContact CA-SG 3.58Å; F334-C540 CarbonylContact C-O 3.52Å; F334-C540 WeakPolarHBondContact CA-O 3.31Å; F334-C540 WeakPolarHBondContact CB-O 3.32Å; S335-C540 PolarHBondContact N-O 3.43Å; S335-C540 PolarHBondContact O-N 3.28Å; S335-C540 WeakPolarHBondContact OG-CB 3.38Å; C540-C584 HydrophobicContact CB-CB 3.95Å; C540-C584 WeakPolarHBondContact CB-SG 3.48Å; C540-C584 WeakPolarHBondContact SG-CA 3.47Å; C540-C584 WeakPolarHBondContact SG-CB 3.36Å; C540-C584 CovalentContact SG-SG 2.03Å; C540-C584 PolarHBondContact SG-SG 3.34Å |
| 541 | I | 85.5 | Confident | 73.5 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.6 | 170.1 | -59.7 | -179 | 0 | 0 | 0 | 107.3 | I277 F279 I332 F334 L345 L509 F537 V544 L553 | I277-I541 PolarHBondContact N-O 2.96Å; I277-I541 PolarHBondContact O-N 2.96Å; F279-I541 HydrophobicContact CD2-CG1 4.37Å; F279-I541 HydrophobicContact CE2-CB 4.21Å; F279-I541 HydrophobicContact CE2-CD1 3.77Å; F279-I541 HydrophobicContact CE2-CG1 3.89Å; F279-I541 HydrophobicContact CZ-CD1 4.45Å; I332-I541 HydrophobicContact CG2-CG2 4.44Å; F334-I541 HydrophobicContact CB-CG1 4.4Å; L345-I541 HydrophobicContact CD1-CD1 4.43Å; L509-I541 HydrophobicContact CB-CD1 4.14Å; L509-I541 HydrophobicContact CD2-CD1 4.34Å; F537-I541 HydrophobicContact CE1-CG1 4.16Å; I541-V544 HydrophobicContact CG2-CG2 3.75Å; I541-L553 HydrophobicContact CG2-CD1 4.02Å |
| 542 | T | 81.7 | Confident | 74.7 | Confident | 25 Ų | 25 | 20 Ų | 20 | 15% | 0.153 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | -23.2 | -169.8 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | Q333 R550 | Q333-T542 WeakPolarHBondContact CB-OG1 3.12Å; Q333-T542 PolarHBondContact O-N 2.83Å; Q333-T542 PolarHBondContact O-OG1 2.81Å; T542-R550 PolarHBondContact O-NH2 3.5Å; T542-R550 VanDerWaalsContact O-NH2 3.13Å |
| 543 | R | 83.7 | Confident | 75.8 | Confident | 66 Ų | 66 | 19.2 Ų | 19.2 | 25% | 0.249 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 139.2 | 172.4 | -168.1 | -177.2 | -169.3 | 172.4 | 2.4 | 109.7 | N270 Q333 T545 R550 | N270-R543 PolarHBondContact OD1-NH2 2.99Å; Q333-R543 HydrophobicContact CB-CB 3.95Å; Q333-R543 HydrophobicContact CG-CB 3.98Å; Q333-R543 PolarHBondContact N-O 2.91Å; R543-T545 HydrophobicContact CG-CG2 4.33Å; R543-R550 HydrophobicContact CG-CG 4.35Å |
| 544 | V | 85.8 | Confident | 77 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.3 | 158.4 | 179.4 | 0 | 0 | 0 | 0 | 107.4 | E331 I332 L507 L509 I541 I546 L551 L553 | E331-V544 CarbonylContact O-C 3.49Å; E331-V544 WeakPolarHBondContact O-CA 3.49Å; I332-V544 HydrophobicContact CG1-CG1 4.48Å; I332-V544 HydrophobicContact CG1-CG2 4.39Å; I332-V544 HydrophobicContact CG2-CG2 4.45Å; L507-V544 HydrophobicContact CD2-CG1 3.91Å; L509-V544 HydrophobicContact CD1-CG2 4.02Å; L509-V544 HydrophobicContact CD2-CG2 4.32Å; I541-V544 HydrophobicContact CG2-CG2 3.75Å; V544-I546 HydrophobicContact CG1-CD1 4.07Å; V544-L551 HydrophobicContact CB-CD1 4.49Å; V544-L551 HydrophobicContact CG1-CD1 3.97Å; V544-L551 HydrophobicContact CG1-CG 4.4Å; V544-L551 PolarHBondContact O-N 2.91Å; V544-L553 HydrophobicContact CB-CD2 4.32Å; V544-L553 HydrophobicContact CG2-CD1 4.19Å; V544-L553 HydrophobicContact CG2-CD2 4.32Å |
| 545 | T | 80.6 | Confident | 77.8 | Confident | 4 Ų | 4 | 16.9 Ų | 16.9 | 3% | 0.025 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 131.5 | -173.9 | 10.4 | 0 | 0 | 0 | 0 | 109.8 | I330 E331 R543 L549 R550 | I330-T545 WeakPolarHBondContact CA-O 3.32Å; E331-T545 WeakPolarHBondContact CB-OG1 3.24Å; E331-T545 PolarHBondContact N-O 2.89Å; E331-T545 PolarHBondContact O-N 3.26Å; E331-T545 PolarHBondContact O-OG1 2.7Å; R543-T545 HydrophobicContact CG-CG2 4.33Å; T545-L549 CarbonylContact C-O 3.57Å; T545-L549 WeakPolarHBondContact CA-O 3.34Å; T545-L549 WeakPolarHBondContact CG2-O 3.39Å; T545-R550 HydrophobicContact CG2-CB 4.07Å |
| 546 | I | 77.9 | Confident | 78.4 | Confident | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.7 | 173.7 | -63.8 | 90.7 | 0 | 0 | 0 | 108.1 | L295 L301 I328 N329 I330 V544 G548 L549 L551 | L295-I546 HydrophobicContact CD2-CD1 3.64Å; L295-I546 HydrophobicContact CD2-CG1 3.88Å; L301-I546 HydrophobicContact CD1-CG2 4.2Å; I328-I546 HydrophobicContact CG2-CG2 4.28Å; N329-I546 CarbonylContact O-C 3.58Å; N329-I546 WeakPolarHBondContact O-CA 3.5Å; I330-I546 HydrophobicContact CG1-CG1 4.17Å; V544-I546 HydrophobicContact CG1-CD1 4.07Å; I546-G548 PolarHBondContact O-N 2.8Å; I546-L549 PolarHBondContact N-O 2.72Å; I546-L549 WeakPolarHBondContact O-CB 3.44Å; I546-L549 PolarHBondContact O-N 3.12Å; I546-L551 HydrophobicContact CD1-CD1 3.59Å; I546-L551 HydrophobicContact CD1-CD2 4.03Å; I546-L551 HydrophobicContact CD1-CG 3.77Å |
| 547 | N | 72.7 | Confident | 78.6 | Confident | 18 Ų | 18 | 15.2 Ų | 15.2 | 10% | 0.096 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 33 | -172.5 | -77.2 | -2.3 | 0 | 0 | 0 | 114 | L301 Q305 W327 N329 L549 | L301-N547 HydrophobicContact CD1-CB 4.15Å; L301-N547 WeakPolarHBondContact CD1-ND2 3.43Å; L301-N547 WeakPolarHBondContact CG-ND2 3.4Å; Q305-N547 VanDerWaalsContact CD-ND2 3.33Å; Q305-N547 VanDerWaalsContact CG-ND2 3.25Å; Q305-N547 WeakPolarHBondContact CG-ND2 3.37Å; Q305-N547 PolarHBondContact NE2-ND2 2.84Å; W327-N547 PolarHBondContact O-OD1 2.73Å; N329-N547 PolarHBondContact N-OD1 3.26Å; N329-N547 PolarHBondContact ND2-OD1 2.67Å; N329-N547 PolarHBondContact O-N 3.14Å; N547-L549 VanDerWaalsContact C-N 3.3Å; N547-L549 PolarHBondContact O-N 3.44Å |
| 548 | G | 68.4 | Low | 78.5 | Confident | 31 Ų | 31 | 18.3 Ų | 18.3 | 32% | 0.32 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -11.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | N270 I546 R550 | N270-G548 PolarHBondContact ND2-O 2.95Å; I546-G548 PolarHBondContact O-N 2.8Å; G548-R550 PolarHBondContact O-N 2.91Å |
| 549 | L | 70.1 | Confident | 78.4 | Confident | 7 Ų | 7 | 17.1 Ų | 17.1 | 4% | 0.037 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 121.1 | 169.3 | -176.3 | 78.3 | 0 | 0 | 0 | 109.7 | M269 P296 L304 T545 I546 N547 | M269-L549 HydrophobicContact CE-CD1 4.44Å; P296-L549 HydrophobicContact CG-CD2 4.39Å; L304-L549 HydrophobicContact CD1-CB 4.01Å; L304-L549 HydrophobicContact CD1-CD2 4.11Å; L304-L549 HydrophobicContact CD1-CG 4.49Å; L304-L549 HydrophobicContact CD2-CB 4.3Å; L304-L549 HydrophobicContact CD2-CD1 4.25Å; T545-L549 CarbonylContact C-O 3.57Å; T545-L549 WeakPolarHBondContact CA-O 3.34Å; T545-L549 WeakPolarHBondContact CG2-O 3.39Å; I546-L549 PolarHBondContact N-O 2.72Å; I546-L549 WeakPolarHBondContact O-CB 3.44Å; I546-L549 PolarHBondContact O-N 3.12Å; N547-L549 VanDerWaalsContact C-N 3.3Å; N547-L549 PolarHBondContact O-N 3.44Å |
| 550 | R | 75.6 | Confident | 78 | Confident | 26 Ų | 26 | 19.2 Ų | 19.2 | 10% | 0.098 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 129.5 | 175.1 | -173.5 | -176.9 | -168.8 | 151.7 | 15.9 | 110.7 | M269 M272 T542 R543 T545 G548 | M269-R550 WeakPolarHBondContact CE-O 3.44Å; M272-R550 PolarHBondContact O-NH1 3.3Å; T542-R550 PolarHBondContact O-NH2 3.5Å; T542-R550 VanDerWaalsContact O-NH2 3.13Å; R543-R550 HydrophobicContact CG-CG 4.35Å; T545-R550 HydrophobicContact CG2-CB 4.07Å; G548-R550 PolarHBondContact O-N 2.91Å |
| 551 | L | 79.1 | Confident | 77.5 | Confident | 6 Ų | 6 | 21.4 Ų | 21.4 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | P | Polyproline II helix | trans | -79.8 | 136.8 | 171.7 | -57.4 | -170.9 | 0 | 0 | 0 | 111.1 | L293 L507 V544 I546 L553 | L293-L551 HydrophobicContact CD1-CD1 3.73Å; L507-L551 HydrophobicContact CD2-CD1 4.34Å; V544-L551 HydrophobicContact CB-CD1 4.49Å; V544-L551 HydrophobicContact CG1-CD1 3.97Å; V544-L551 HydrophobicContact CG1-CG 4.4Å; V544-L551 PolarHBondContact O-N 2.91Å; I546-L551 HydrophobicContact CD1-CD1 3.59Å; I546-L551 HydrophobicContact CD1-CD2 4.03Å; I546-L551 HydrophobicContact CD1-CG 3.77Å; L551-L553 HydrophobicContact CB-CD2 4Å; L551-L553 PolarHBondContact O-N 3.49Å |
| 552 | D | 77.2 | Confident | 76.9 | Confident | 16 Ų | 16 | 25.8 Ų | 25.8 | 9% | 0.086 | 13% | 0.126 | C | C | . | . | trans | -88.3 | 78.6 | 175.8 | -175.4 | 7.6 | 0 | 0 | 0 | 111.1 | K44 N128 Q129 Q554 S555 | K44-D552 WeakPolarHBondContact CE-OD2 3.32Å; K44-D552 IonicContact NZ-OD2 3.78Å; K44-D552 PolarHBondContact NZ-OD2 3.09Å; N128-D552 PolarHBondContact ND2-OD2 3.02Å; Q129-D552 PolarHBondContact NE2-O 3.47Å; Q129-D552 VanDerWaalsContact NE2-O 3.11Å; D552-Q554 PolarHBondContact O-N 2.72Å; D552-Q554 PolarHBondContact OD1-N 3.09Å; D552-S555 VanDerWaalsContact CG-OG 3.32Å; D552-S555 PolarHBondContact O-N 2.82Å; D552-S555 PolarHBondContact OD1-N 2.87Å; D552-S555 WeakPolarHBondContact OD2-CB 3.19Å; D552-S555 PolarHBondContact OD2-OG 2.83Å | ||
| 553 | L | 79.4 | Confident | 76.5 | Confident | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.4 | -30.1 | -176.7 | -48.1 | 176.9 | 0 | 0 | 0 | 113 | I277 L293 L509 I541 V544 L551 V557 | I277-L553 HydrophobicContact CD1-CB 3.45Å; I277-L553 VanDerWaalsContact CD1-CB 3.45Å; I277-L553 WeakPolarHBondContact CD1-O 3.29Å; I277-L553 HydrophobicContact CG1-CB 4.31Å; L293-L553 HydrophobicContact CD1-CD2 3.55Å; L509-L553 HydrophobicContact CD1-CD2 3.94Å; I541-L553 HydrophobicContact CG2-CD1 4.02Å; V544-L553 HydrophobicContact CB-CD2 4.32Å; V544-L553 HydrophobicContact CG2-CD1 4.19Å; V544-L553 HydrophobicContact CG2-CD2 4.32Å; L551-L553 HydrophobicContact CB-CD2 4Å; L551-L553 PolarHBondContact O-N 3.49Å; L553-V557 PolarHBondContact O-N 3.28Å |
| 554 | Q | 78 | Confident | 75.6 | Confident | 61 Ų | 61 | 27.2 Ų | 27.2 | 29% | 0.285 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -69 | -44.2 | -176.8 | 166.5 | 169.1 | -9.6 | 0 | 0 | 111.5 | S275 D552 A556 V557 Q558 L582 | S275-Q554 VanDerWaalsContact CB-CB 3.49Å; D552-Q554 PolarHBondContact O-N 2.72Å; D552-Q554 PolarHBondContact OD1-N 3.09Å; Q554-A556 VanDerWaalsContact C-N 3.3Å; Q554-A556 PolarHBondContact O-N 2.84Å; Q554-V557 PolarHBondContact O-N 2.79Å; Q554-Q558 HydrophobicContact CG-CG 4.45Å; Q554-Q558 WeakPolarHBondContact O-CG 3.31Å; Q554-Q558 PolarHBondContact O-N 2.82Å; Q554-L582 HydrophobicContact CB-CD2 4.22Å; Q554-L582 HydrophobicContact CG-CD1 4.27Å; Q554-L582 HydrophobicContact CG-CD2 3.86Å |
| 555 | S | 79.3 | Confident | 74.8 | Confident | 7 Ų | 7 | 32.4 Ų | 32.4 | 5% | 0.049 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.5 | -39.1 | 178.8 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | K44 D127 D552 Q558 A559 | K44-S555 WeakPolarHBondContact CE-OG 3.29Å; K44-S555 PolarHBondContact NZ-OG 3.16Å; D127-S555 CarbonylContact O-C 3.5Å; D127-S555 WeakPolarHBondContact O-CB 3.32Å; D552-S555 VanDerWaalsContact CG-OG 3.32Å; D552-S555 PolarHBondContact O-N 2.82Å; D552-S555 PolarHBondContact OD1-N 2.87Å; D552-S555 WeakPolarHBondContact OD2-CB 3.19Å; D552-S555 PolarHBondContact OD2-OG 2.83Å; S555-Q558 PolarHBondContact O-N 3.33Å; S555-A559 WeakPolarHBondContact O-CB 3.47Å; S555-A559 PolarHBondContact O-N 3.41Å |
| 556 | A | 76.6 | Confident | 74.1 | Confident | 9 Ų | 9 | 35.7 Ų | 35.7 | 7% | 0.074 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D127 L293 Q554 A559 R560 | D127-A556 HydrophobicContact CB-CB 4.46Å; D127-A556 PolarHBondContact O-N 3.4Å; L293-A556 HydrophobicContact CD2-CB 3.62Å; Q554-A556 VanDerWaalsContact C-N 3.3Å; Q554-A556 PolarHBondContact O-N 2.84Å; A556-A559 PolarHBondContact O-N 3.44Å; A556-R560 PolarHBondContact O-N 3.25Å |
| 557 | V | 76.2 | Confident | 73.5 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.03 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.2 | -41.2 | 173.5 | 166.4 | 0 | 0 | 0 | 0 | 111.8 | I277 I291 L553 Q554 A559 R560 I561 F580 | I277-V557 HydrophobicContact CD1-CB 4.5Å; I277-V557 HydrophobicContact CD1-CG2 3.74Å; I291-V557 HydrophobicContact CD1-CG2 3.59Å; I291-V557 HydrophobicContact CG1-CG2 3.93Å; L553-V557 PolarHBondContact O-N 3.28Å; Q554-V557 PolarHBondContact O-N 2.79Å; V557-A559 PolarHBondContact O-N 3.24Å; V557-R560 PolarHBondContact O-N 3.37Å; V557-I561 HydrophobicContact CG1-CD1 3.88Å; V557-I561 HydrophobicContact CG1-CG1 4.48Å; V557-I561 WeakPolarHBondContact O-CG1 3.23Å; V557-I561 PolarHBondContact O-N 3.48Å; V557-F580 HydrophobicContact CG1-CB 3.73Å; V557-F580 HydrophobicContact CG1-CD1 4.34Å; V557-F580 HydrophobicContact CG1-CD2 3.56Å; V557-F580 HydrophobicContact CG1-CE2 4.2Å; V557-F580 HydrophobicContact CG1-CG 3.63Å |
| 558 | Q | 78.1 | Confident | 72.6 | Confident | 69 Ų | 69 | 43.1 Ų | 43.1 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.4 | -41.3 | 177.1 | -72.9 | -177.1 | -7.1 | 0 | 0 | 112.1 | Q554 S555 I561 R562 L582 | Q554-Q558 HydrophobicContact CG-CG 4.45Å; Q554-Q558 WeakPolarHBondContact O-CG 3.31Å; Q554-Q558 PolarHBondContact O-N 2.82Å; S555-Q558 PolarHBondContact O-N 3.33Å; Q558-I561 PolarHBondContact O-N 2.78Å; Q558-R562 WeakPolarHBondContact O-CG 3.4Å; Q558-R562 PolarHBondContact O-N 2.9Å; Q558-R562 VanDerWaalsContact O-N 3.07Å; Q558-L582 HydrophobicContact CG-CD1 4.46Å |
| 559 | A | 75.7 | Confident | 71.5 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.4 | -46 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R124 D127 S555 A556 V557 I561 R562 Y563 | R124-A559 HydrophobicContact CB-CB 4.48Å; R124-A559 VanDerWaalsContact CD-C 3.48Å; R124-A559 WeakPolarHBondContact CD-O 3.38Å; R124-A559 PolarHBondContact NE-O 3.18Å; D127-A559 HydrophobicContact CB-CB 3.82Å; S555-A559 WeakPolarHBondContact O-CB 3.47Å; S555-A559 PolarHBondContact O-N 3.41Å; A556-A559 PolarHBondContact O-N 3.44Å; V557-A559 PolarHBondContact O-N 3.24Å; A559-I561 VanDerWaalsContact C-N 3.3Å; A559-I561 PolarHBondContact O-N 3.23Å; A559-R562 WeakPolarHBondContact O-CB 3.39Å; A559-R562 PolarHBondContact O-N 2.93Å; A559-R562 VanDerWaalsContact O-N 3.11Å; A559-Y563 PolarHBondContact O-N 2.95Å |
| 560 | R | 72.7 | Confident | 70.1 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 17% | 0.166 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.3 | -31 | 176.6 | -174.5 | 159.5 | 161.7 | 165.2 | -17.8 | 113.3 | F290 A556 V557 Y563 L564 | F290-R560 VanDerWaalsContact CE1-NH2 3.31Å; F290-R560 VanDerWaalsContact CE2-NH1 3.34Å; F290-R560 PolarHBondContact O-NH2 2.73Å; A556-R560 PolarHBondContact O-N 3.25Å; V557-R560 PolarHBondContact O-N 3.37Å; R560-Y563 PolarHBondContact O-N 2.9Å; R560-L564 WeakPolarHBondContact O-CG 3.36Å; R560-L564 PolarHBondContact O-N 2.93Å; R560-L564 VanDerWaalsContact O-N 3.11Å |
| 561 | I | 72.1 | Confident | 68.1 | Low | 45 Ų | 45 | 67.5 Ų | 67.5 | 23% | 0.231 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 170.6 | -69.1 | 165.2 | 0 | 0 | 0 | 111.1 | V557 Q558 A559 Y563 L564 Q565 F580 | V557-I561 HydrophobicContact CG1-CD1 3.88Å; V557-I561 HydrophobicContact CG1-CG1 4.48Å; V557-I561 WeakPolarHBondContact O-CG1 3.23Å; V557-I561 PolarHBondContact O-N 3.48Å; Q558-I561 PolarHBondContact O-N 2.78Å; A559-I561 VanDerWaalsContact C-N 3.3Å; A559-I561 PolarHBondContact O-N 3.23Å; I561-Y563 VanDerWaalsContact C-N 3.26Å; I561-Y563 PolarHBondContact O-N 3.09Å; I561-L564 PolarHBondContact O-N 2.78Å; I561-Q565 WeakPolarHBondContact O-CG 3.47Å; I561-Q565 PolarHBondContact O-N 3.45Å; I561-F580 HydrophobicContact CD1-CD2 4.36Å |
| 562 | R | 73.9 | Confident | 66.1 | Low | 93 Ų | 93 | 71.2 Ų | 71.2 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57 | -40.6 | 173.9 | -63 | 169.1 | -166.3 | 160.2 | 5.5 | 111.4 | D126 Q558 A559 Q565 S566 | D126-R562 IonicContact OD2-CZ 3.6Å; D126-R562 IonicContact OD2-NH1 3.74Å; D126-R562 PolarHBondContact OD2-NH1 3.03Å; Q558-R562 WeakPolarHBondContact O-CG 3.4Å; Q558-R562 PolarHBondContact O-N 2.9Å; Q558-R562 VanDerWaalsContact O-N 3.07Å; A559-R562 WeakPolarHBondContact O-CB 3.39Å; A559-R562 PolarHBondContact O-N 2.93Å; A559-R562 VanDerWaalsContact O-N 3.11Å; R562-Q565 PolarHBondContact O-N 3.41Å; R562-S566 PolarHBondContact O-N 3.47Å; R562-S566 VanDerWaalsContact O-N 3.13Å |
| 563 | Y | 73.8 | Confident | 64.1 | Low | 35 Ų | 35 | 79.4 Ų | 79.4 | 14% | 0.137 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.8 | -53.2 | 174.7 | 173.6 | -116.8 | 0 | 0 | 0 | 112 | Q116 P121 T122 A559 R560 I561 Q565 S566 I567 | Q116-Y563 VanDerWaalsContact NE2-CE2 3.34Å; Q116-Y563 PolarHBondContact NE2-OH 3.13Å; P121-Y563 VanDerWaalsContact O-CE2 3.23Å; P121-Y563 WeakPolarHBondContact O-CE2 3.4Å; P121-Y563 PolarHBondContact O-OH 3.4Å; T122-Y563 HydrophobicContact CG2-CD1 4.16Å; T122-Y563 HydrophobicContact CG2-CE1 3.79Å; A559-Y563 PolarHBondContact O-N 2.95Å; R560-Y563 PolarHBondContact O-N 2.9Å; I561-Y563 VanDerWaalsContact C-N 3.26Å; I561-Y563 PolarHBondContact O-N 3.09Å; Y563-Q565 PolarHBondContact O-N 2.97Å; Y563-S566 PolarHBondContact O-N 2.69Å; Y563-S566 PolarHBondContact O-OG 2.86Å; Y563-I567 HydrophobicContact CD1-CD1 4.05Å; Y563-I567 HydrophobicContact CD2-CD1 4.3Å; Y563-I567 HydrophobicContact CD2-CG1 4.43Å; Y563-I567 HydrophobicContact CE1-CD1 3.51Å; Y563-I567 HydrophobicContact CE2-CD1 3.78Å; Y563-I567 HydrophobicContact CE2-CG1 3.99Å; Y563-I567 HydrophobicContact CG-CD1 4.42Å; Y563-I567 WeakPolarHBondContact O-CG1 3.25Å |
| 564 | L | 64.8 | Low | 62.1 | Low | 87 Ų | 87 | 84.8 Ų | 84.8 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.7 | -36.5 | -179.3 | -68.6 | 172 | 0 | 0 | 0 | 112.6 | R560 I561 | R560-L564 WeakPolarHBondContact O-CG 3.36Å; R560-L564 PolarHBondContact O-N 2.93Å; R560-L564 VanDerWaalsContact O-N 3.11Å; I561-L564 PolarHBondContact O-N 2.78Å |
| 565 | Q | 67.9 | Low | 60.2 | Low | 109 Ų | 109 | 84.4 Ų | 84.4 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 173 | -71.2 | 168.2 | -23.8 | 0 | 0 | 111.5 | I561 R562 Y563 I567 H568 | I561-Q565 WeakPolarHBondContact O-CG 3.47Å; I561-Q565 PolarHBondContact O-N 3.45Å; R562-Q565 PolarHBondContact O-N 3.41Å; Y563-Q565 PolarHBondContact O-N 2.97Å; Q565-I567 PolarHBondContact O-N 3.39Å; Q565-H568 PolarHBondContact O-N 2.86Å; Q565-H568 VanDerWaalsContact O-N 3.09Å |
| 566 | S | 67.3 | Low | 58.3 | Low | 73 Ų | 73 | 89.6 Ų | 89.6 | 51% | 0.51 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.9 | -10.1 | -176.6 | 70.2 | 0 | 0 | 0 | 0 | 116.4 | R562 Y563 | R562-S566 PolarHBondContact O-N 3.47Å; R562-S566 VanDerWaalsContact O-N 3.13Å; Y563-S566 PolarHBondContact O-N 2.69Å; Y563-S566 PolarHBondContact O-OG 2.86Å |
| 567 | I | 64 | Low | 56.4 | Low | 85 Ų | 85 | 95.5 Ų | 95.5 | 44% | 0.436 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -16.9 | 179.1 | -46 | 160.6 | 0 | 0 | 0 | 111.6 | Y563 Q565 | Y563-I567 HydrophobicContact CD1-CD1 4.05Å; Y563-I567 HydrophobicContact CD2-CD1 4.3Å; Y563-I567 HydrophobicContact CD2-CG1 4.43Å; Y563-I567 HydrophobicContact CE1-CD1 3.51Å; Y563-I567 HydrophobicContact CE2-CD1 3.78Å; Y563-I567 HydrophobicContact CE2-CG1 3.99Å; Y563-I567 HydrophobicContact CG-CD1 4.42Å; Y563-I567 WeakPolarHBondContact O-CG1 3.25Å; Q565-I567 PolarHBondContact O-N 3.39Å |
| 568 | H | 55.4 | Low | 54.8 | Low | 92 Ų | 92 | 99.8 Ų | 99.8 | 43% | 0.426 | 49% | 0.49 | S | S | . | . | trans | -122.6 | 9.2 | -159.9 | -78.5 | 13.1 | 0 | 0 | 0 | 115.6 | Q565 E570 R571 | Q565-H568 PolarHBondContact O-N 2.86Å; Q565-H568 VanDerWaalsContact O-N 3.09Å; H568-E570 PolarHBondContact O-N 2.95Å; H568-R571 PolarHBondContact O-N 3.1Å | ||
| 569 | D | 44.5 | Very low | 53.2 | Low | 152 Ų | 152 | 100.9 Ų | 100.9 | 81% | 0.813 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -22.5 | -177.1 | -87.6 | -34.4 | 0 | 0 | 0 | 115.3 | ||
| 570 | E | 39.6 | Very low | 52 | Low | 194 Ų | 194 | 102.6 Ų | 102.6 | 91% | 0.907 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -10.3 | -179.7 | -73.9 | -151.9 | 147.3 | 0 | 0 | 116 | H568 | H568-E570 PolarHBondContact O-N 2.95Š|
| 571 | R | 33.9 | Very low | 51.1 | Low | 231 Ų | 231 | 103.1 Ų | 103.1 | 87% | 0.872 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.4 | -26.3 | -169.9 | -76.8 | -166.1 | 176.2 | 179.8 | 1.3 | 120.4 | H568 | H568-R571 PolarHBondContact O-N 3.1Š|
| 572 | I | 38.2 | Very low | 50.5 | Low | 83 Ų | 83 | 103.5 Ų | 103.5 | 43% | 0.426 | 52% | 0.523 | S | S | . | . | trans | -135.5 | 96.8 | -165.1 | -51 | -177.8 | 0 | 0 | 0 | 114.1 | T574 I575 | I572-T574 WeakPolarHBondContact CG2-OG1 3.35Å; I572-T574 PolarHBondContact O-N 2.98Å; I572-I575 HydrophobicContact CB-CD1 3.91Å; I572-I575 HydrophobicContact CB-CG1 4.32Å; I572-I575 HydrophobicContact CD1-CD1 4.05Å; I572-I575 HydrophobicContact CG2-CB 4.32Å; I572-I575 HydrophobicContact CG2-CD1 3.8Å; I572-I575 HydrophobicContact CG2-CG1 3.68Å | ||
| 573 | Q | 35.5 | Very low | 49.8 | Very low | 189 Ų | 189 | 107.1 Ų | 107.1 | 88% | 0.883 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -70.4 | -8.7 | 165.7 | -78 | -173.9 | -31.4 | 0 | 0 | 113.9 | ||
| 574 | T | 37.2 | Very low | 49.3 | Very low | 116 Ų | 116 | 106.7 Ų | 106.7 | 71% | 0.712 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -99 | 21.9 | -175.2 | 69.9 | 0 | 0 | 0 | 0 | 114.3 | I572 | I572-T574 WeakPolarHBondContact CG2-OG1 3.35Å; I572-T574 PolarHBondContact O-N 2.98Å |
| 575 | I | 38.5 | Very low | 48.9 | Very low | 53 Ų | 53 | 106.8 Ų | 106.8 | 27% | 0.272 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -96.4 | -1.5 | 176.2 | -84 | 169.6 | 0 | 0 | 0 | 112.5 | I572 D577 F578 | I572-I575 HydrophobicContact CB-CD1 3.91Å; I572-I575 HydrophobicContact CB-CG1 4.32Å; I572-I575 HydrophobicContact CD1-CD1 4.05Å; I572-I575 HydrophobicContact CG2-CB 4.32Å; I572-I575 HydrophobicContact CG2-CD1 3.8Å; I572-I575 HydrophobicContact CG2-CG1 3.68Å; I575-D577 PolarHBondContact O-N 3.49Å; I575-F578 HydrophobicContact CB-CD2 4.35Å; I575-F578 HydrophobicContact CG1-CD2 4.17Å; I575-F578 HydrophobicContact CG1-CE2 4.19Å; I575-F578 HydrophobicContact CG2-CD2 4.09Å; I575-F578 PolarHBondContact O-N 3.17Å; I575-F578 VanDerWaalsContact O-N 3.16Å |
| 576 | T | 37.8 | Very low | 48.1 | Very low | 116 Ų | 116 | 105.9 Ų | 105.9 | 71% | 0.712 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -22.7 | 177.8 | 50.1 | 0 | 0 | 0 | 0 | 114.7 | F578 | T576-F578 VanDerWaalsContact C-N 3.34Š|
| 577 | D | 38 | Very low | 47.1 | Very low | 132 Ų | 132 | 107 Ų | 107 | 71% | 0.706 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -4 | -175.2 | -63.9 | 3 | 0 | 0 | 0 | 113.1 | I575 S579 | I575-D577 PolarHBondContact O-N 3.49Å; D577-S579 PolarHBondContact O-N 2.86Å |
| 578 | F | 41.3 | Very low | 46 | Very low | 96 Ų | 96 | 106.8 Ų | 106.8 | 42% | 0.421 | 55% | 0.55 | S | S | . | * | trans | -72.3 | 53.9 | 171.8 | -81.9 | -84.2 | 0 | 0 | 0 | 112.8 | L285 I575 T576 F580 | L285-F578 HydrophobicContact CB-CZ 4.13Å; L285-F578 HydrophobicContact CD1-CZ 4.32Å; I575-F578 HydrophobicContact CB-CD2 4.35Å; I575-F578 HydrophobicContact CG1-CD2 4.17Å; I575-F578 HydrophobicContact CG1-CE2 4.19Å; I575-F578 HydrophobicContact CG2-CD2 4.09Å; I575-F578 PolarHBondContact O-N 3.17Å; I575-F578 VanDerWaalsContact O-N 3.16Å; T576-F578 VanDerWaalsContact C-N 3.34Å; F578-F580 PolarHBondContact O-N 2.85Å | ||
| 579 | S | 44.6 | Very low | 45.3 | Very low | 92 Ų | 92 | 107.3 Ų | 107.3 | 64% | 0.643 | 56% | 0.556 | S | S | * | * | trans | -83 | 104.8 | 167.4 | 60.9 | 0 | 0 | 0 | 0 | 110 | D577 P581 | D577-S579 PolarHBondContact O-N 2.86Å; S579-P581 VanDerWaalsContact O-CD 3.31Å; S579-P581 WeakPolarHBondContact O-CD 3.43Å | ||
| 580 | F | 50.9 | Low | 44.9 | Very low | 38 Ų | 38 | 105.2 Ų | 105.2 | 17% | 0.167 | 55% | 0.545 | C | S | . | . | trans | -54.1 | 124 | 154.1 | -87 | -91.5 | 0 | 0 | 0 | 107.3 | I277 F279 M289 V557 I561 F578 L582 | I277-F580 HydrophobicContact CG2-CD1 4.16Å; F279-F580 HydrophobicContact CD1-CE1 4.41Å; F279-F580 HydrophobicContact CE1-CE1 4.26Å; M289-F580 HydrophobicContact CE-CD1 4.26Å; M289-F580 HydrophobicContact CE-CE1 4.05Å; M289-F580 HydrophobicContact SD-CD1 4.24Å; M289-F580 HydrophobicContact SD-CE1 3.63Å; M289-F580 HydrophobicContact SD-CE2 4.45Å; M289-F580 HydrophobicContact SD-CZ 3.76Å; V557-F580 HydrophobicContact CG1-CB 3.73Å; V557-F580 HydrophobicContact CG1-CD1 4.34Å; V557-F580 HydrophobicContact CG1-CD2 3.56Å; V557-F580 HydrophobicContact CG1-CE2 4.2Å; V557-F580 HydrophobicContact CG1-CG 3.63Å; I561-F580 HydrophobicContact CD1-CD2 4.36Å; F578-F580 PolarHBondContact O-N 2.85Å; F580-L582 PolarHBondContact O-N 2.82Å | ||
| 581 | P | 54.7 | Low | 44.9 | Very low | 54 Ų | 54 | 99.1 Ų | 99.1 | 35% | 0.351 | 52% | 0.521 | S | S | . | . | trans | -71.6 | 95.9 | -180 | -13.7 | 27.8 | 0 | 0 | 0 | 109.6 | S278 S579 K583 | S278-P581 PolarHBondContact N-O 2.79Å; S278-P581 VanDerWaalsContact N-O 3.16Å; S579-P581 VanDerWaalsContact O-CD 3.31Å; S579-P581 WeakPolarHBondContact O-CD 3.43Å; P581-K583 PolarHBondContact O-N 2.9Å | ||
| 582 | L | 58.1 | Low | 45.1 | Very low | 53 Ų | 53 | 91.4 Ų | 91.4 | 28% | 0.277 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -66.2 | 15.2 | 176.8 | -67.2 | 174.8 | 0 | 0 | 0 | 113.8 | S276 Q554 Q558 F580 | S276-L582 CarbonylContact O-C 3.58Å; S276-L582 VanDerWaalsContact O-C 3.27Å; Q554-L582 HydrophobicContact CB-CD2 4.22Å; Q554-L582 HydrophobicContact CG-CD1 4.27Å; Q554-L582 HydrophobicContact CG-CD2 3.86Å; Q558-L582 HydrophobicContact CG-CD1 4.46Å; F580-L582 PolarHBondContact O-N 2.82Å |
| 583 | K | 59.7 | Low | 44.9 | Very low | 170 Ų | 170 | 91 Ų | 91 | 74% | 0.739 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -142.8 | 119.4 | 174.4 | -68.8 | -173.2 | 177.7 | 179.7 | 0 | 108.6 | P581 N585 | P581-K583 PolarHBondContact O-N 2.9Å; K583-N585 VanDerWaalsContact C-N 3.32Å; K583-N585 PolarHBondContact O-N 2.98Å |
| 584 | C | 62.6 | Low | 44.7 | Very low | 26 Ų | 26 | 88.6 Ų | 88.6 | 18% | 0.176 | 49% | 0.489 | C | S | . | . | trans | -72.2 | 81.5 | 176.1 | -83 | 0 | 0 | 0 | 0 | 112.3 | S276 I277 C540 T586 | S276-C584 PolarHBondContact OG-N 2.98Å; S276-C584 VanDerWaalsContact OG-N 3.13Å; I277-C584 VanDerWaalsContact C-SG 3.59Å; C540-C584 HydrophobicContact CB-CB 3.95Å; C540-C584 WeakPolarHBondContact CB-SG 3.48Å; C540-C584 WeakPolarHBondContact SG-CA 3.47Å; C540-C584 WeakPolarHBondContact SG-CB 3.36Å; C540-C584 CovalentContact SG-SG 2.03Å; C540-C584 PolarHBondContact SG-SG 3.34Å; C584-T586 PolarHBondContact O-N 2.93Å; C584-T586 VanDerWaalsContact O-N 3.09Å | ||
| 585 | N | 57 | Low | 44.3 | Very low | 88 Ų | 88 | 90.3 Ų | 90.3 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | trans | -84.3 | 80.2 | -176.6 | -160.4 | 37.2 | 0 | 0 | 0 | 111.7 | K583 T587 N588 | K583-N585 VanDerWaalsContact C-N 3.32Å; K583-N585 PolarHBondContact O-N 2.98Å; N585-T587 PolarHBondContact ND2-OG1 3.29Å; N585-T587 PolarHBondContact O-N 2.92Å; N585-T587 PolarHBondContact OD1-OG1 2.91Å; N585-N588 PolarHBondContact ND2-ND2 2.62Å | ||
| 586 | T | 51.6 | Low | 44 | Very low | 91 Ų | 91 | 92.9 Ų | 92.9 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 6.2 | -176.2 | 52.2 | 0 | 0 | 0 | 0 | 115.3 | C584 | C584-T586 PolarHBondContact O-N 2.93Å; C584-T586 VanDerWaalsContact O-N 3.09Å |
| 587 | T | 45.3 | Very low | 43.6 | Very low | 95 Ų | 95 | 90.7 Ų | 90.7 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -21.8 | -175.5 | 48.4 | 0 | 0 | 0 | 0 | 114.2 | N585 N589 | N585-T587 PolarHBondContact ND2-OG1 3.29Å; N585-T587 PolarHBondContact O-N 2.92Å; N585-T587 PolarHBondContact OD1-OG1 2.91Å; T587-N589 PolarHBondContact O-N 3.01Å |
| 588 | N | 42 | Very low | 43.3 | Very low | 82 Ų | 82 | 90 Ų | 90 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | trans | -88.6 | 25.7 | -163.8 | -85.9 | 13 | 0 | 0 | 0 | 116.3 | N585 N590 V591 | N585-N588 PolarHBondContact ND2-ND2 2.62Å; N588-N590 PolarHBondContact O-N 2.93Å; N588-V591 HydrophobicContact CB-CB 4.41Å; N588-V591 HydrophobicContact CB-CG2 3.89Å; N588-V591 PolarHBondContact O-N 2.96Å | ||
| 589 | N | 39.6 | Very low | 43 | Very low | 102 Ų | 102 | 91.9 Ų | 91.9 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -12.4 | 174.7 | -78.3 | 5.6 | 0 | 0 | 0 | 114.2 | T587 T592 | T587-N589 PolarHBondContact O-N 3.01Å; N589-T592 PolarHBondContact O-OG1 2.69Å |
| 590 | N | 37.4 | Very low | 42.2 | Very low | 109 Ų | 109 | 90.3 Ų | 90.3 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -24.1 | 173.9 | -66.7 | 17.1 | 0 | 0 | 0 | 113.1 | N588 T592 T593 E594 | N588-N590 PolarHBondContact O-N 2.93Å; N590-T592 VanDerWaalsContact C-N 3.33Å; N590-T592 PolarHBondContact O-N 3.1Å; N590-T593 WeakPolarHBondContact CA-OG1 3.49Å; N590-T593 PolarHBondContact O-N 2.93Å; N590-T593 VanDerWaalsContact O-N 3.11Å; N590-T593 PolarHBondContact O-OG1 2.81Å; N590-E594 PolarHBondContact O-N 2.83Å; N590-E594 VanDerWaalsContact O-N 3.08Å |
| 591 | V | 38.1 | Very low | 41.1 | Very low | 66 Ų | 66 | 94 Ų | 94 | 40% | 0.4 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.6 | -34.2 | -175.4 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | N588 T593 M595 | N588-V591 HydrophobicContact CB-CB 4.41Å; N588-V591 HydrophobicContact CB-CG2 3.89Å; N588-V591 PolarHBondContact O-N 2.96Å; V591-T593 PolarHBondContact O-N 3.17Å; V591-M595 PolarHBondContact O-N 3.42Å |
| 592 | T | 39.2 | Very low | 39.8 | Very low | 68 Ų | 68 | 95.6 Ų | 95.6 | 42% | 0.417 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.7 | -19.2 | 172.4 | 44.5 | 0 | 0 | 0 | 0 | 113.6 | N589 N590 L596 | N589-T592 PolarHBondContact O-OG1 2.69Å; N590-T592 VanDerWaalsContact C-N 3.33Å; N590-T592 PolarHBondContact O-N 3.1Å; T592-L596 WeakPolarHBondContact O-CD1 3.38Å |
| 593 | T | 34.4 | Very low | 38.4 | Very low | 74 Ų | 74 | 99.1 Ų | 99.1 | 45% | 0.454 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -93.5 | -33 | 175.8 | 46.4 | 0 | 0 | 0 | 0 | 113.6 | N590 V591 S597 | N590-T593 WeakPolarHBondContact CA-OG1 3.49Å; N590-T593 PolarHBondContact O-N 2.93Å; N590-T593 VanDerWaalsContact O-N 3.11Å; N590-T593 PolarHBondContact O-OG1 2.81Å; V591-T593 PolarHBondContact O-N 3.17Å; T593-S597 WeakPolarHBondContact O-CB 3.47Å; T593-S597 PolarHBondContact O-N 2.96Å |
| 594 | E | 30.2 | Very low | 36.8 | Very low | 140 Ų | 140 | 96.8 Ų | 96.8 | 65% | 0.654 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -91.3 | -27.6 | -175 | -68.2 | -173.3 | 146.8 | 0 | 0 | 114.6 | N590 S597 | N590-E594 PolarHBondContact O-N 2.83Å; N590-E594 VanDerWaalsContact O-N 3.08Å; E594-S597 PolarHBondContact O-OG 2.87Å; E594-S597 VanDerWaalsContact O-OG 3.09Å |
| 595 | M | 30.2 | Very low | 35.3 | Very low | 151 Ų | 151 | 103.7 Ų | 103.7 | 74% | 0.744 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -82.5 | -13.3 | 173.2 | -98.3 | -176.4 | 167.6 | 0 | 0 | 114.2 | V591 | V591-M595 PolarHBondContact O-N 3.42Å |
| 596 | L | 31 | Very low | 33.9 | Very low | 107 Ų | 107 | 107.1 Ų | 107.1 | 56% | 0.56 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -100.7 | -18.6 | 177.5 | -88.9 | 154.3 | 0 | 0 | 0 | 113.5 | T592 T598 I599 | T592-L596 WeakPolarHBondContact O-CD1 3.38Å; L596-T598 VanDerWaalsContact C-N 3.3Å; L596-T598 PolarHBondContact O-N 2.83Å; L596-I599 PolarHBondContact O-N 2.73Å |
| 597 | S | 29.1 | Very low | 32.7 | Very low | 70 Ų | 70 | 111.4 Ų | 111.4 | 49% | 0.49 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.1 | -27.9 | 178 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | T593 E594 I599 | T593-S597 WeakPolarHBondContact O-CB 3.47Å; T593-S597 PolarHBondContact O-N 2.96Å; E594-S597 PolarHBondContact O-OG 2.87Å; E594-S597 VanDerWaalsContact O-OG 3.09Å; S597-I599 PolarHBondContact O-N 3.04Å |
| 598 | T | 32.4 | Very low | 32 | Very low | 119 Ų | 119 | 113.2 Ų | 113.2 | 73% | 0.73 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -5.4 | -179.9 | 52.3 | 0 | 0 | 0 | 0 | 114.5 | L596 | L596-T598 VanDerWaalsContact C-N 3.3Å; L596-T598 PolarHBondContact O-N 2.83Å |
| 599 | I | 34.2 | Very low | 31.5 | Very low | 135 Ų | 135 | 115.2 Ų | 115.2 | 69% | 0.692 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | -10.9 | -179.8 | -57.3 | 179.8 | 0 | 0 | 0 | 112.1 | L596 S597 | L596-I599 PolarHBondContact O-N 2.73Å; S597-I599 PolarHBondContact O-N 3.04Å |
| 600 | C | 27.7 | Very low | 31.4 | Very low | 58 Ų | 58 | 114.8 Ų | 114.8 | 39% | 0.392 | 64% | 0.638 | S | S | . | * | trans | -124.7 | 89.6 | 173.8 | -79 | 0 | 0 | 0 | 0 | 111.6 | S602 R616 | C600-S602 PolarHBondContact O-N 2.92Å; C600-S602 VanDerWaalsContact O-N 3.1Å; C600-R616 PolarHBondContact SG-NH2 3.15Å | ||
| 601 | S | 28.4 | Very low | 31.2 | Very low | 115 Ų | 115 | 114.9 Ų | 114.9 | 80% | 0.804 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -68.8 | -2.1 | -179.3 | 44.1 | 0 | 0 | 0 | 0 | 115.8 | ||
| 602 | S | 27.1 | Very low | 31 | Very low | 89 Ų | 89 | 113.6 Ų | 113.6 | 62% | 0.622 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -155.4 | 81.2 | -179.9 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | C600 | C600-S602 PolarHBondContact O-N 2.92Å; C600-S602 VanDerWaalsContact O-N 3.1Å |
| 603 | C | 30.1 | Very low | 30.8 | Very low | 126 Ų | 126 | 117.2 Ų | 117.2 | 85% | 0.851 | 64% | 0.64 | S | S | * | * | trans | -161.4 | 108.5 | 156.4 | -103.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 604 | S | 26.1 | Very low | 30.8 | Very low | 122 Ų | 122 | 115.2 Ų | 115.2 | 85% | 0.853 | 63% | 0.629 | S | S | * | * | trans | -107.7 | 83.8 | 178.5 | 58.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 605 | L | 30 | Very low | 30.8 | Very low | 170 Ų | 170 | 113.2 Ų | 113.2 | 89% | 0.89 | 62% | 0.619 | S | S | * | * | trans | -155.3 | 114.6 | 170.3 | -113.5 | 160.1 | 0 | 0 | 0 | 111.3 | ||||
| 606 | N | 27.3 | Very low | 31 | Very low | 160 Ų | 160 | 112.7 Ų | 112.7 | 86% | 0.856 | 61% | 0.609 | S | S | * | * | trans | -86.7 | 111.3 | 179.7 | -82.5 | -28.3 | 0 | 0 | 0 | 111.4 | ||||
| 607 | K | 27.4 | Very low | 31.4 | Very low | 182 Ų | 182 | 109.7 Ų | 109.7 | 79% | 0.791 | 59% | 0.593 | S | S | * | * | trans | -170.2 | 132.7 | 142.6 | -106.6 | 157.8 | -173.7 | -179.5 | 0 | 113.2 | ||||
| 608 | Q | 30.4 | Very low | 31.6 | Very low | 132 Ų | 132 | 107.2 Ų | 107.2 | 62% | 0.617 | 58% | 0.576 | S | S | * | * | trans | 45.3 | 97.2 | 156.5 | -70.2 | 169.4 | -56.7 | 0 | 0 | 118.2 | H610 | Q608-H610 PolarHBondContact O-N 2.77Š| ||
| 609 | H | 32.3 | Very low | 31.7 | Very low | 124 Ų | 124 | 104.7 Ų | 104.7 | 57% | 0.574 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 86.2 | 171.6 | -66 | -68.6 | 0 | 0 | 0 | 113.2 | ||
| 610 | H | 35.8 | Very low | 31.9 | Very low | 93 Ų | 93 | 100.4 Ų | 100.4 | 43% | 0.431 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -156.4 | -27.4 | 137.3 | -108.2 | -62.6 | 0 | 0 | 0 | 112.6 | Q608 V612 Q613 | Q608-H610 PolarHBondContact O-N 2.77Å; H610-V612 PolarHBondContact O-N 3.28Å; H610-V612 VanDerWaalsContact O-N 3.14Å; H610-Q613 PolarHBondContact O-N 2.79Å |
| 611 | H | 34.5 | Very low | 32.4 | Very low | 111 Ų | 111 | 102 Ų | 102 | 51% | 0.514 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -56 | -26.2 | 166.1 | -85.7 | -68.2 | 0 | 0 | 0 | 113 | Q613 S614 E615 | H611-Q613 PolarHBondContact O-N 2.82Å; H611-S614 PolarHBondContact O-N 3.24Å; H611-S614 VanDerWaalsContact O-N 3.14Å; H611-S614 PolarHBondContact O-OG 3.34Å; H611-E615 HydrophobicContact CB-CG 4.21Å; H611-E615 WeakPolarHBondContact O-CB 3.36Å; H611-E615 PolarHBondContact O-N 3.27Å |
| 612 | V | 32.3 | Very low | 32.7 | Very low | 40 Ų | 40 | 101.9 Ų | 101.9 | 24% | 0.242 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -57.5 | -17.3 | -177.5 | -177.3 | 0 | 0 | 0 | 0 | 114.1 | H610 R616 | H610-V612 PolarHBondContact O-N 3.28Å; H610-V612 VanDerWaalsContact O-N 3.14Å; V612-R616 HydrophobicContact CG1-CG 4.31Å; V612-R616 WeakPolarHBondContact O-CB 3.24Å; V612-R616 VanDerWaalsContact O-CD 3.27Å; V612-R616 WeakPolarHBondContact O-CD 3.34Å; V612-R616 WeakPolarHBondContact O-CG 3.41Å; V612-R616 PolarHBondContact O-N 2.81Å |
| 613 | Q | 35.7 | Very low | 32.9 | Very low | 144 Ų | 144 | 104.8 Ų | 104.8 | 67% | 0.673 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -82.2 | -52.2 | 171 | -110.9 | 169.9 | -41.3 | 0 | 0 | 112.8 | H610 H611 R616 L617 | H610-Q613 PolarHBondContact O-N 2.79Å; H611-Q613 PolarHBondContact O-N 2.82Å; Q613-R616 PolarHBondContact O-N 3.48Å; Q613-L617 WeakPolarHBondContact O-CG 3.44Å; Q613-L617 PolarHBondContact O-N 3.31Å |
| 614 | S | 34.7 | Very low | 32.8 | Very low | 32 Ų | 32 | 105.5 Ų | 105.5 | 22% | 0.224 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -70.2 | -32.4 | 176.6 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | H611 L617 S618 | H611-S614 PolarHBondContact O-N 3.24Å; H611-S614 VanDerWaalsContact O-N 3.14Å; H611-S614 PolarHBondContact O-OG 3.34Å; S614-L617 PolarHBondContact O-N 2.84Å; S614-S618 PolarHBondContact O-N 3.5Å; S614-S618 PolarHBondContact O-OG 3.16Å |
| 615 | E | 30.9 | Very low | 32.8 | Very low | 97 Ų | 97 | 105.8 Ų | 105.8 | 45% | 0.453 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.5 | -27.7 | 172 | -70.2 | -167.7 | 133.2 | 0 | 0 | 113.5 | H611 S618 N619 | H611-E615 HydrophobicContact CB-CG 4.21Å; H611-E615 WeakPolarHBondContact O-CB 3.36Å; H611-E615 PolarHBondContact O-N 3.27Å; E615-S618 WeakPolarHBondContact CA-OG 3.33Å; E615-S618 PolarHBondContact O-OG 2.78Å; E615-N619 WeakPolarHBondContact O-CB 3.38Å; E615-N619 VanDerWaalsContact O-CG 3.28Å; E615-N619 PolarHBondContact O-N 2.8Å; E615-N619 PolarHBondContact O-ND2 3.47Å |
| 616 | R | 34.6 | Very low | 32.8 | Very low | 140 Ų | 140 | 102 Ų | 102 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.5 | -41 | 167.5 | -86.2 | 174.1 | 170.8 | 162.6 | -5.6 | 110.6 | C600 V612 Q613 S620 | C600-R616 PolarHBondContact SG-NH2 3.15Å; V612-R616 HydrophobicContact CG1-CG 4.31Å; V612-R616 WeakPolarHBondContact O-CB 3.24Å; V612-R616 VanDerWaalsContact O-CD 3.27Å; V612-R616 WeakPolarHBondContact O-CD 3.34Å; V612-R616 WeakPolarHBondContact O-CG 3.41Å; V612-R616 PolarHBondContact O-N 2.81Å; Q613-R616 PolarHBondContact O-N 3.48Å; R616-S620 VanDerWaalsContact O-CB 3.25Å; R616-S620 WeakPolarHBondContact O-CB 3.45Å; R616-S620 PolarHBondContact O-N 2.82Å; R616-S620 PolarHBondContact O-OG 3.39Å |
| 617 | L | 37.8 | Very low | 33.1 | Very low | 44 Ų | 44 | 101.5 Ų | 101.5 | 23% | 0.23 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 174.7 | -70.5 | 167 | 0 | 0 | 0 | 111.8 | Q613 S614 Y621 Y838 | Q613-L617 WeakPolarHBondContact O-CG 3.44Å; Q613-L617 PolarHBondContact O-N 3.31Å; S614-L617 PolarHBondContact O-N 2.84Å; L617-Y621 HydrophobicContact CD2-CE2 4.14Å; L617-Y621 WeakPolarHBondContact O-CD2 3.14Å; L617-Y838 HydrophobicContact CD2-CD2 4.39Å; L617-Y838 HydrophobicContact CD2-CE1 4.21Å; L617-Y838 HydrophobicContact CD2-CE2 3.69Å; L617-Y838 WeakPolarHBondContact CD2-OH 3.19Å |
| 618 | S | 34.7 | Very low | 33.3 | Very low | 19 Ų | 19 | 97.7 Ų | 97.7 | 13% | 0.133 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -72.4 | -36.2 | 179.6 | 72.1 | 0 | 0 | 0 | 0 | 113.8 | S614 E615 | S614-S618 PolarHBondContact O-N 3.5Å; S614-S618 PolarHBondContact O-OG 3.16Å; E615-S618 WeakPolarHBondContact CA-OG 3.33Å; E615-S618 PolarHBondContact O-OG 2.78Å |
| 619 | N | 33.7 | Very low | 33.7 | Very low | 65 Ų | 65 | 100.7 Ų | 100.7 | 35% | 0.348 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -88.2 | -32 | -174.9 | -65.5 | -39.2 | 0 | 0 | 0 | 114.3 | E615 H623 R788 | E615-N619 WeakPolarHBondContact O-CB 3.38Å; E615-N619 VanDerWaalsContact O-CG 3.28Å; E615-N619 PolarHBondContact O-N 2.8Å; E615-N619 PolarHBondContact O-ND2 3.47Å; N619-H623 PolarHBondContact O-N 3.47Å; N619-R788 PolarHBondContact OD1-NH2 3.19Å |
| 620 | S | 38.6 | Very low | 34.2 | Very low | 46 Ų | 46 | 98.7 Ų | 98.7 | 32% | 0.322 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -77.3 | -23.7 | -179.1 | 63.6 | 0 | 0 | 0 | 0 | 114.2 | R616 | R616-S620 VanDerWaalsContact O-CB 3.25Å; R616-S620 WeakPolarHBondContact O-CB 3.45Å; R616-S620 PolarHBondContact O-N 2.82Å; R616-S620 PolarHBondContact O-OG 3.39Å |
| 621 | Y | 38.1 | Very low | 34.9 | Very low | 92 Ų | 92 | 95.8 Ų | 95.8 | 36% | 0.361 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -83.2 | -23.4 | 178.4 | -78.3 | -106.5 | 0 | 0 | 0 | 113.2 | L617 L628 M661 Y838 | L617-Y621 HydrophobicContact CD2-CE2 4.14Å; L617-Y621 WeakPolarHBondContact O-CD2 3.14Å; Y621-L628 HydrophobicContact CD2-CD1 4.36Å; Y621-L628 HydrophobicContact CE2-CD1 3.61Å; Y621-M661 HydrophobicContact CD1-CE 4.3Å; Y621-M661 HydrophobicContact CG-CE 4.46Å; Y621-Y838 PolarHBondContact OH-OH 2.9Å |
| 622 | L | 35.2 | Very low | 35.9 | Very low | 112 Ų | 112 | 91.3 Ų | 91.3 | 59% | 0.586 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -90.9 | -20.3 | 178.2 | -77.6 | 167.1 | 0 | 0 | 0 | 113.9 | ||
| 623 | H | 30.3 | Very low | 37.6 | Very low | 150 Ų | 150 | 91 Ų | 91 | 69% | 0.694 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -140.1 | 122.9 | 175.5 | -72.7 | -63.4 | 0 | 0 | 0 | 113.2 | N619 | N619-H623 PolarHBondContact O-N 3.47Š|
| 624 | N | 27.9 | Very low | 39.4 | Very low | 140 Ų | 140 | 84.9 Ų | 84.9 | 75% | 0.749 | 44% | 0.44 | S | S | * | . | trans | 61.2 | 95.3 | 171.9 | -67.7 | -8.8 | 0 | 0 | 0 | 117.4 | S626 | N624-S626 PolarHBondContact O-N 2.76Š| ||
| 625 | S | 26.2 | Very low | 41.7 | Very low | 129 Ų | 129 | 83.7 Ų | 83.7 | 90% | 0.902 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 48.8 | 176.8 | 62 | 0 | 0 | 0 | 0 | 114.6 | ||
| 626 | S | 29.8 | Very low | 44 | Very low | 91 Ų | 91 | 80.4 Ų | 80.4 | 64% | 0.636 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -20.6 | -172.2 | 49.5 | 0 | 0 | 0 | 0 | 116.3 | N624 | N624-S626 PolarHBondContact O-N 2.76Š|
| 627 | E | 33.7 | Very low | 46.3 | Very low | 149 Ų | 149 | 73.8 Ų | 73.8 | 70% | 0.696 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -116.5 | -12.9 | -168.1 | -61.4 | -161.5 | 142.7 | 0 | 0 | 116.3 | K629 | E627-K629 PolarHBondContact O-N 3.38Š|
| 628 | L | 32.5 | Very low | 47.9 | Very low | 101 Ų | 101 | 72.2 Ų | 72.2 | 53% | 0.529 | 38% | 0.383 | S | S | . | . | trans | -84.3 | 96.4 | 170.8 | -81.5 | 162.3 | 0 | 0 | 0 | 110.4 | Y621 | Y621-L628 HydrophobicContact CD2-CD1 4.36Å; Y621-L628 HydrophobicContact CE2-CD1 3.61Å | ||
| 629 | K | 37.6 | Very low | 49.8 | Very low | 195 Ų | 195 | 71.5 Ų | 71.5 | 85% | 0.848 | 38% | 0.378 | S | S | * | . | trans | -86.4 | -7.3 | -176.1 | -93.1 | -179.9 | 176.5 | 171.6 | 0 | 115.8 | E627 | E627-K629 PolarHBondContact O-N 3.38Š| ||
| 630 | E | 43.5 | Very low | 51.4 | Low | 83 Ų | 83 | 71.9 Ų | 71.9 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -121.9 | 143.4 | -169.1 | -63.9 | 171.4 | 160.5 | 0 | 0 | 110.3 | Y849 K851 | E630-Y849 VanDerWaalsContact C-OH 3.29Å; E630-Y849 WeakPolarHBondContact CB-OH 3.31Å; E630-Y849 PolarHBondContact O-OH 3.29Å; E630-K851 VanDerWaalsContact OE2-CE 3.24Å; E630-K851 WeakPolarHBondContact OE2-CE 2.89Å |
| 631 | S | 51.1 | Low | 53 | Low | 31 Ų | 31 | 70.6 Ų | 70.6 | 22% | 0.217 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 118 | -163.1 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | Q886 | S631-Q886 VanDerWaalsContact OG-CG 3.27Å; S631-Q886 WeakPolarHBondContact OG-CG 3.24Å; S631-Q886 PolarHBondContact OG-NE2 2.82Å |
| 632 | T | 55.8 | Low | 55.1 | Low | 17 Ų | 17 | 66.8 Ų | 66.8 | 10% | 0.104 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 138.9 | 171.2 | 53.4 | 0 | 0 | 0 | 0 | 111.8 | Y838 Y849 | T632-Y838 HydrophobicContact CG2-CE1 4.33Å; T632-Y838 HydrophobicContact CG2-CE2 4.12Å; T632-Y838 WeakPolarHBondContact CG2-OH 3.41Å; T632-Y849 HydrophobicContact CG2-CE2 4.26Å |
| 633 | P | 66.7 | Low | 57.3 | Low | 33 Ų | 33 | 61.4 Ų | 61.4 | 21% | 0.214 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 133.3 | 168.7 | 28.6 | -31.9 | 0 | 0 | 0 | 110.2 | L847 L884 | P633-L847 HydrophobicContact CB-CD1 3.9Å; P633-L847 HydrophobicContact CG-CB 4.24Å; P633-L847 HydrophobicContact CG-CD1 4.38Å; P633-L884 HydrophobicContact CB-CD1 3.79Å |
| 634 | I | 75.1 | Confident | 59.5 | Low | 16 Ų | 16 | 56.4 Ų | 56.4 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.9 | 174.5 | -60.2 | -179.5 | 0 | 0 | 0 | 108.5 | W770 D835 A837 F885 Y887 | I634-W770 HydrophobicContact CD1-CZ2 4.25Å; I634-W770 HydrophobicContact CG2-CH2 4.02Å; I634-W770 HydrophobicContact CG2-CZ2 4.24Å; I634-D835 HydrophobicContact CG2-CB 3.85Å; I634-A837 HydrophobicContact CG1-CB 4.43Å; I634-F885 PolarHBondContact N-O 3.36Å; I634-F885 PolarHBondContact O-N 3.29Å; I634-Y887 HydrophobicContact CD1-CD2 3.8Å; I634-Y887 HydrophobicContact CD1-CE2 4.31Å |
| 635 | L | 81.7 | Confident | 61.9 | Low | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 109.9 | -177.7 | -63.1 | 168.3 | 0 | 0 | 0 | 109.1 | F637 I643 D835 I836 L846 L847 F880 L884 | L635-F637 HydrophobicContact CB-CE2 3.75Å; L635-F637 HydrophobicContact CB-CZ 4.38Å; L635-F637 WeakPolarHBondContact O-CD2 3.4Å; L635-I643 HydrophobicContact CD1-CD1 3.75Å; L635-I643 HydrophobicContact CD2-CD1 4.01Å; L635-I643 HydrophobicContact CG-CD1 4.34Å; L635-D835 CarbonylContact O-C 3.49Å; L635-D835 WeakPolarHBondContact O-CA 3.17Å; L635-I836 HydrophobicContact CB-CB 4.49Å; L635-I836 PolarHBondContact N-O 3.34Å; L635-I836 PolarHBondContact O-N 3.28Å; L635-L846 HydrophobicContact CD1-CD2 4.32Å; L635-L847 HydrophobicContact CD2-CD1 4.26Å; L635-F880 HydrophobicContact CD2-CE1 3.75Å; L635-F880 HydrophobicContact CD2-CZ 4.27Å; L635-L884 HydrophobicContact CD2-CD1 3.77Å |
| 636 | H | 80.4 | Confident | 64.2 | Low | 29 Ų | 29 | 47.2 Ų | 47.2 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 132.2 | 178.3 | -179.7 | 70.3 | 0 | 0 | 0 | 111.2 | Q641 D835 Q883 F885 | H636-Q641 PolarHBondContact O-OE1 2.78Å; H636-D835 IonicContact CE1-OD1 3.46Å; H636-D835 IonicContact CG-OD1 2.7Å; H636-D835 IonicContact ND1-OD1 2.67Å; H636-D835 PolarHBondContact ND1-OD1 3.4Å; H636-Q883 HydrophobicContact CB-CB 4.14Å; H636-Q883 PolarHBondContact N-O 3.26Å; H636-Q883 PolarHBondContact O-N 3.24Å; H636-F885 HydrophobicContact CB-CD2 3.76Å; H636-F885 HydrophobicContact CB-CE2 3.52Å; H636-F885 AromaticContact CG-CE2 3.95Å |
| 637 | F | 82.6 | Confident | 66.1 | Low | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 137 | 177.6 | -58.4 | -105 | 0 | 0 | 0 | 109.9 | L635 Q641 I643 I809 Y832 N833 G834 I836 A882 | L635-F637 HydrophobicContact CB-CE2 3.75Å; L635-F637 HydrophobicContact CB-CZ 4.38Å; L635-F637 WeakPolarHBondContact O-CD2 3.4Å; F637-Q641 HydrophobicContact CD1-CB 4.28Å; F637-I643 HydrophobicContact CE1-CD1 4.27Å; F637-I643 HydrophobicContact CE1-CG1 4.06Å; F637-I643 HydrophobicContact CZ-CD1 3.71Å; F637-I643 HydrophobicContact CZ-CG1 4.01Å; F637-I809 HydrophobicContact CE1-CG2 4.15Å; F637-I809 WeakPolarHBondContact CE1-O 3.09Å; F637-I809 HydrophobicContact CE2-CG2 4.41Å; F637-I809 HydrophobicContact CZ-CB 4.36Å; F637-I809 HydrophobicContact CZ-CG2 3.67Å; F637-Y832 HydrophobicContact CB-CD1 4.05Å; F637-Y832 WeakPolarHBondContact CB-O 3.28Å; F637-Y832 AromaticContact CD2-CD1 4Å; F637-Y832 HydrophobicContact CD2-CD1 4Å; F637-Y832 HydrophobicContact CG-CD1 4.18Å; F637-N833 CarbonylContact O-C 3.55Å; F637-N833 VanDerWaalsContact O-CA 3.28Å; F637-N833 WeakPolarHBondContact O-CA 3.42Å; F637-G834 PolarHBondContact N-O 3.36Å; F637-G834 PolarHBondContact O-N 3.33Å; F637-I836 HydrophobicContact CD2-CD1 4.21Å; F637-I836 HydrophobicContact CD2-CG1 4.22Å; F637-I836 HydrophobicContact CE2-CB 4.11Å; F637-I836 HydrophobicContact CE2-CD1 3.72Å; F637-I836 HydrophobicContact CE2-CG1 3.92Å; F637-I836 HydrophobicContact CZ-CD1 4.29Å; F637-A882 HydrophobicContact CD1-CB 4.06Å; F637-A882 HydrophobicContact CE1-CB 3.84Å; F637-A882 HydrophobicContact CE2-CB 4.41Å; F637-A882 HydrophobicContact CG-CB 4.45Å; F637-A882 HydrophobicContact CZ-CB 4.03Å |
| 638 | N | 71.7 | Confident | 67.4 | Low | 12 Ų | 12 | 37.7 Ų | 37.7 | 6% | 0.064 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 7 | 177.4 | 66.8 | 7.4 | 0 | 0 | 0 | 115.3 | L640 Q641 N833 D897 | N638-L640 PolarHBondContact OD1-N 3.41Å; N638-L640 VanDerWaalsContact OD1-N 3.09Å; N638-Q641 VanDerWaalsContact CG-OE1 3.23Å; N638-Q641 WeakPolarHBondContact OD1-CG 3.3Å; N638-Q641 PolarHBondContact OD1-N 3.01Å; N638-Q641 PolarHBondContact OD1-OE1 3.11Å; N638-N833 WeakPolarHBondContact CA-ND2 3.27Å; N638-N833 PolarHBondContact O-ND2 3.06Å; N638-D897 WeakPolarHBondContact CB-OD1 3.26Å; N638-D897 WeakPolarHBondContact CB-OD2 3.38Å; N638-D897 PolarHBondContact ND2-OD1 2.96Å |
| 639 | G | 72.9 | Confident | 68.8 | Low | 3 Ų | 3 | 34 Ų | 34 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 94.6 | -15 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G831 Y832 | G639-G831 WeakPolarHBondContact CA-O 3.11Å; G639-G831 WeakPolarHBondContact O-CA 3.1Å; G639-G831 PolarHBondContact O-N 3.03Å; G639-Y832 WeakPolarHBondContact CA-O 3.37Å; G639-Y832 PolarHBondContact N-O 3.33Å |
| 640 | L | 68.7 | Low | 70.5 | Confident | 74 Ų | 74 | 25.9 Ų | 25.9 | 39% | 0.387 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -103.1 | -19.5 | 167.9 | -61.4 | -169.7 | 0 | 0 | 0 | 113 | N638 F898 | N638-L640 PolarHBondContact OD1-N 3.41Å; N638-L640 VanDerWaalsContact OD1-N 3.09Å; L640-F898 HydrophobicContact CD1-CE1 4.19Å; L640-F898 HydrophobicContact CD1-CE2 4.42Å; L640-F898 HydrophobicContact CD1-CZ 3.65Å; L640-F898 HydrophobicContact CG-CZ 4.27Å |
| 641 | Q | 71.8 | Confident | 71.7 | Confident | 19 Ų | 19 | 23.8 Ų | 23.8 | 9% | 0.089 | 13% | 0.126 | C | C | . | . | trans | -79.8 | 151.2 | -179.9 | -67.8 | 166.1 | -63.4 | 0 | 0 | 112.7 | H636 F637 N638 S811 T881 | H636-Q641 PolarHBondContact O-OE1 2.78Å; F637-Q641 HydrophobicContact CD1-CB 4.28Å; N638-Q641 VanDerWaalsContact CG-OE1 3.23Å; N638-Q641 WeakPolarHBondContact OD1-CG 3.3Å; N638-Q641 PolarHBondContact OD1-N 3.01Å; N638-Q641 PolarHBondContact OD1-OE1 3.11Å; Q641-S811 WeakPolarHBondContact O-CB 3.24Å; Q641-S811 PolarHBondContact O-N 3.29Å; Q641-T881 WeakPolarHBondContact CG-O 3.26Å; Q641-T881 PolarHBondContact NE2-O 3.04Å | ||
| 642 | L | 82.3 | Confident | 72.5 | Confident | 11 Ų | 11 | 24 Ų | 24 | 6% | 0.058 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 160.3 | 174.3 | 69.9 | 86.7 | 0 | 0 | 0 | 112.4 | R644 I808 I809 S811 E879 T881 | L642-R644 HydrophobicContact CD1-CB 3.86Å; L642-I808 HydrophobicContact CB-CG2 4.49Å; L642-I809 CarbonylContact C-O 3.36Å; L642-I809 VanDerWaalsContact CA-O 3.24Å; L642-I809 WeakPolarHBondContact CA-O 3.39Å; L642-S811 VanDerWaalsContact CB-O 3.25Å; L642-S811 WeakPolarHBondContact CB-O 3.32Å; L642-S811 WeakPolarHBondContact CD2-O 3.23Å; L642-E879 HydrophobicContact CD1-CG 4.44Å; L642-T881 PolarHBondContact N-OG1 2.86Å; L642-T881 PolarHBondContact O-N 2.89Å; L642-T881 VanDerWaalsContact O-N 3.08Å; L642-T881 PolarHBondContact O-OG1 3.32Å |
| 643 | I | 80.6 | Confident | 73 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.3 | 158 | -56.5 | 170.8 | 0 | 0 | 0 | 106.5 | L635 F637 I808 I809 I878 E879 F880 A882 | L635-I643 HydrophobicContact CD1-CD1 3.75Å; L635-I643 HydrophobicContact CD2-CD1 4.01Å; L635-I643 HydrophobicContact CG-CD1 4.34Å; F637-I643 HydrophobicContact CE1-CD1 4.27Å; F637-I643 HydrophobicContact CE1-CG1 4.06Å; F637-I643 HydrophobicContact CZ-CD1 3.71Å; F637-I643 HydrophobicContact CZ-CG1 4.01Å; I643-I808 CarbonylContact O-C 3.1Å; I643-I808 WeakPolarHBondContact O-CA 3.47Å; I643-I809 HydrophobicContact CB-CB 4.4Å; I643-I809 PolarHBondContact N-O 3.35Å; I643-I809 PolarHBondContact O-N 3.35Å; I643-I878 HydrophobicContact CG2-CG2 4.34Å; I643-E879 WeakPolarHBondContact CA-O 3.31Å; I643-F880 HydrophobicContact CD1-CD1 4.21Å; I643-F880 HydrophobicContact CD1-CE1 3.58Å; I643-F880 HydrophobicContact CD1-CZ 3.78Å; I643-F880 HydrophobicContact CG1-CD1 4.05Å; I643-F880 HydrophobicContact CG1-CE1 3.93Å; I643-F880 HydrophobicContact CG1-CZ 4.27Å; I643-F880 HydrophobicContact CG2-CD2 4.12Å; I643-F880 HydrophobicContact CG2-CE2 3.9Å; I643-F880 HydrophobicContact CG2-CZ 4.16Å; I643-A882 HydrophobicContact CD1-CB 4.11Å; I643-A882 HydrophobicContact CG1-CB 3.9Å |
| 644 | R | 76.3 | Confident | 72.9 | Confident | 45 Ų | 45 | 22.9 Ų | 22.9 | 17% | 0.17 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 123 | 172.9 | 159 | -167.9 | -79.5 | 138.4 | -12.2 | 108.1 | L642 I807 I808 I878 E879 | L642-R644 HydrophobicContact CD1-CB 3.86Å; R644-I807 WeakPolarHBondContact CA-O 3.45Å; R644-I808 HydrophobicContact CB-CG1 4.25Å; R644-I808 HydrophobicContact CG-CG1 4.39Å; R644-I878 CarbonylContact O-C 3.56Å; R644-I878 WeakPolarHBondContact O-CA 3.36Å; R644-E879 HydrophobicContact CB-CB 4.14Å; R644-E879 IonicContact CZ-OE2 3.21Å; R644-E879 PolarHBondContact N-O 2.8Å; R644-E879 IonicContact NH1-OE2 3.02Å; R644-E879 PolarHBondContact NH1-OE2 2.88Å; R644-E879 PolarHBondContact O-N 2.94Å |
| 645 | I | 78.7 | Confident | 72.3 | Confident | 17 Ų | 17 | 22.2 Ų | 22.2 | 9% | 0.087 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116.9 | 169.1 | -60 | 167.1 | 0 | 0 | 0 | 106.8 | Q806 I807 L846 W876 I878 | I645-Q806 CarbonylContact O-C 3.53Å; I645-Q806 VanDerWaalsContact O-CA 3.29Å; I645-Q806 WeakPolarHBondContact O-CA 3.23Å; I645-I807 HydrophobicContact CB-CB 4.47Å; I645-I807 PolarHBondContact N-O 3.43Å; I645-I807 PolarHBondContact O-N 2.8Å; I645-L846 HydrophobicContact CD1-CD1 3.83Å; I645-L846 HydrophobicContact CD1-CG 4.12Å; I645-W876 HydrophobicContact CG2-CE3 3.91Å; I645-W876 HydrophobicContact CG2-CZ3 3.99Å; I645-I878 HydrophobicContact CG1-CG2 4.08Å |
| 646 | Q | 74.2 | Confident | 72.1 | Confident | 59 Ų | 59 | 22 Ų | 22 | 28% | 0.276 | 11% | 0.111 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 122.1 | 166.9 | -176.1 | 145.1 | -8.5 | 0 | 0 | 109.8 | Q805 Q806 V877 | Q646-Q805 HydrophobicContact CG-CG 4.22Å; Q646-Q806 HydrophobicContact CB-CG 4.18Å; Q646-Q806 HydrophobicContact CG-CG 4.19Å; Q646-V877 HydrophobicContact CB-CB 4.25Å; Q646-V877 PolarHBondContact N-O 2.8Å; Q646-V877 PolarHBondContact O-N 3.24Å |
| 647 | L | 70.7 | Confident | 71.8 | Confident | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 153.6 | 171.4 | -69.6 | 152.9 | 0 | 0 | 0 | 110.1 | V649 Q651 V804 Q805 L844 W876 | L647-V649 VanDerWaalsContact C-N 3.34Å; L647-Q651 HydrophobicContact CD1-CB 4.34Å; L647-Q651 HydrophobicContact CD1-CG 4.19Å; L647-Q651 HydrophobicContact CD2-CG 4.24Å; L647-V804 HydrophobicContact CD1-CB 4.42Å; L647-V804 HydrophobicContact CD1-CG1 3.94Å; L647-V804 VanDerWaalsContact CD1-O 3.27Å; L647-V804 WeakPolarHBondContact CD1-O 3.36Å; L647-Q805 WeakPolarHBondContact CB-O 3.34Å; L647-Q805 PolarHBondContact N-O 3.13Å; L647-Q805 PolarHBondContact O-NE2 3.02Å; L647-L844 HydrophobicContact CD2-CD1 4.32Å; L647-W876 HydrophobicContact CD2-CH2 3.58Å; L647-W876 HydrophobicContact CD2-CZ3 3.52Å; L647-W876 HydrophobicContact CG-CZ3 4.27Å |
| 648 | P | 60.7 | Low | 72 | Confident | 36 Ų | 36 | 22 Ų | 22 | 23% | 0.234 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | -29.2 | 176.8 | 27.5 | -34.4 | 0 | 0 | 0 | 113.1 | Q875 W876 | P648-Q875 HydrophobicContact CB-CB 4.04Å; P648-W876 HydrophobicContact CG-CZ2 4.44Å |
| 649 | V | 62.7 | Low | 72.7 | Confident | 24 Ų | 24 | 22.4 Ų | 22.4 | 15% | 0.145 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 144.2 | -179.8 | -176.3 | 0 | 0 | 0 | 0 | 108 | L647 Q651 | L647-V649 VanDerWaalsContact C-N 3.34Å; V649-Q651 PolarHBondContact O-N 3.35Å; V649-Q651 VanDerWaalsContact O-N 3.17Å |
| 650 | Q | 72.2 | Confident | 73.6 | Confident | 24 Ų | 24 | 22.3 Ų | 22.3 | 11% | 0.112 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 121.4 | 176.5 | -176.6 | 161.4 | -91.5 | 0 | 0 | 110.1 | Y652 P803 Q805 | Q650-Y652 HydrophobicContact CG-CE2 4.11Å; Q650-Y652 PolarHBondContact NE2-OH 3.35Å; Q650-P803 HydrophobicContact CG-CB 4.39Å; Q650-Q805 VanDerWaalsContact CB-OE1 3.28Å |
| 651 | Q | 69 | Low | 74.6 | Confident | 38 Ų | 38 | 19.3 Ų | 19.3 | 18% | 0.178 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 154.2 | 174.9 | -64.8 | -162.1 | -13.7 | 0 | 0 | 110.9 | L647 V649 P803 V804 | L647-Q651 HydrophobicContact CD1-CB 4.34Å; L647-Q651 HydrophobicContact CD1-CG 4.19Å; L647-Q651 HydrophobicContact CD2-CG 4.24Å; V649-Q651 PolarHBondContact O-N 3.35Å; V649-Q651 VanDerWaalsContact O-N 3.17Å; Q651-P803 CarbonylContact O-C 3.58Å; Q651-P803 WeakPolarHBondContact O-CA 3.31Å; Q651-V804 PolarHBondContact N-O 3.45Å; Q651-V804 PolarHBondContact O-N 2.69Å |
| 652 | Y | 68.7 | Low | 75.5 | Confident | 35 Ų | 35 | 18.4 Ų | 18.4 | 14% | 0.137 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 141.7 | 174.1 | -68.6 | -94.7 | 0 | 0 | 0 | 107.3 | F523 Q650 E801 L802 P803 | F523-Y652 WeakPolarHBondContact CD2-O 3.33Å; F523-Y652 VanDerWaalsContact CE2-O 3.22Å; F523-Y652 WeakPolarHBondContact CE2-O 3.47Å; Q650-Y652 HydrophobicContact CG-CE2 4.11Å; Q650-Y652 PolarHBondContact NE2-OH 3.35Å; Y652-E801 HydrophobicContact CD1-CB 4.12Å; Y652-L802 WeakPolarHBondContact CA-O 3.35Å; Y652-P803 HydrophobicContact CD1-CB 4.17Å; Y652-P803 HydrophobicContact CE1-CB 3.86Å |
| 653 | S | 65.2 | Low | 75.8 | Confident | 10 Ų | 10 | 19 Ų | 19 | 7% | 0.07 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 144.3 | 171.8 | -169.9 | 0 | 0 | 0 | 0 | 113.4 | L655 L802 | S653-L655 VanDerWaalsContact C-N 3.31Å; S653-L655 WeakPolarHBondContact CB-O 3.36Å; S653-L655 PolarHBondContact OG-N 2.91Å; S653-L655 PolarHBondContact OG-O 2.88Å; S653-L802 PolarHBondContact N-O 2.99Å; S653-L802 PolarHBondContact O-N 3.03Å |
| 654 | S | 63.8 | Low | 76.1 | Confident | 18 Ų | 18 | 19.1 Ų | 19.1 | 13% | 0.126 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -86.5 | -5.9 | 166.9 | 87.8 | 0 | 0 | 0 | 0 | 112.8 | N779 T800 | S654-N779 VanDerWaalsContact CB-OD1 3.22Å; S654-N779 WeakPolarHBondContact CB-OD1 3.48Å; S654-N779 PolarHBondContact O-N 2.86Å; S654-N779 VanDerWaalsContact O-N 3.07Å; S654-N779 PolarHBondContact OG-OD1 3.49Å; S654-T800 WeakPolarHBondContact CA-O 3.33Å; S654-T800 WeakPolarHBondContact CB-O 3.26Å |
| 655 | L | 64.1 | Low | 76.1 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 127.2 | -167.6 | -144.4 | 163.9 | 0 | 0 | 0 | 110.2 | Q528 N532 S653 H777 N778 N842 | Q528-L655 HydrophobicContact CB-CD1 3.71Å; Q528-L655 VanDerWaalsContact CD-CD1 3.44Å; Q528-L655 HydrophobicContact CG-CD1 3.69Å; N532-L655 HydrophobicContact CB-CD2 4.43Å; S653-L655 VanDerWaalsContact C-N 3.31Å; S653-L655 WeakPolarHBondContact CB-O 3.36Å; S653-L655 PolarHBondContact OG-N 2.91Å; S653-L655 PolarHBondContact OG-O 2.88Å; L655-H777 VanDerWaalsContact CA-O 3.3Å; L655-H777 WeakPolarHBondContact CA-O 3.34Å; L655-H777 WeakPolarHBondContact CD2-O 3.48Å; L655-H777 WeakPolarHBondContact CG-O 3.36Å; L655-N778 HydrophobicContact CG-CB 4.4Å; L655-N842 PolarHBondContact O-ND2 3.26Å |
| 656 | L | 75.8 | Confident | 76.1 | Confident | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127 | 177 | -66.5 | 154.5 | 0 | 0 | 0 | 108.4 | F737 Y750 L775 I776 H777 L802 Y841 N842 | L656-F737 HydrophobicContact CD1-CD2 4.47Å; L656-F737 HydrophobicContact CD1-CG 4.48Å; L656-Y750 HydrophobicContact CD1-CE1 3.7Å; L656-L775 HydrophobicContact CB-CD2 4.36Å; L656-I776 CarbonylContact O-C 3.59Å; L656-I776 WeakPolarHBondContact O-CA 3.38Å; L656-H777 HydrophobicContact CB-CB 4.1Å; L656-H777 HydrophobicContact CD1-CB 4.49Å; L656-H777 PolarHBondContact N-O 2.98Å; L656-H777 VanDerWaalsContact N-O 3.07Å; L656-H777 PolarHBondContact O-N 2.88Å; L656-L802 HydrophobicContact CD1-CD2 4.07Å; L656-L802 HydrophobicContact CD2-CD2 4.45Å; L656-Y841 HydrophobicContact CD2-CE2 4.19Å; L656-Y841 WeakPolarHBondContact CD2-OH 3.27Å; L656-N842 WeakPolarHBondContact CA-OD1 3.47Å |
| 657 | W | 76 | Confident | 76.2 | Confident | 29 Ų | 29 | 24.7 Ų | 24.7 | 11% | 0.11 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 115.2 | 170.8 | 173.5 | 53.8 | 0 | 0 | 0 | 109 | K533 V659 E774 L775 N842 | K533-W657 HydrophobicContact CB-CZ3 4.39Å; K533-W657 HydrophobicContact CD-CD2 4.43Å; K533-W657 HydrophobicContact CD-CE3 4.44Å; K533-W657 HydrophobicContact CD-CH2 4.25Å; K533-W657 HydrophobicContact CD-CZ2 4.21Å; K533-W657 HydrophobicContact CD-CZ3 4.34Å; K533-W657 VanDerWaalsContact CE-CH2 3.47Å; K533-W657 HydrophobicContact CG-CD2 3.9Å; K533-W657 HydrophobicContact CG-CE3 3.48Å; K533-W657 VanDerWaalsContact CG-CE3 3.48Å; K533-W657 HydrophobicContact CG-CH2 3.74Å; K533-W657 HydrophobicContact CG-CZ2 4.11Å; K533-W657 HydrophobicContact CG-CZ3 3.38Å; W657-V659 VanDerWaalsContact CE2-CG2 3.43Å; W657-V659 HydrophobicContact CH2-CG2 4.47Å; W657-V659 HydrophobicContact CZ2-CB 4.38Å; W657-V659 HydrophobicContact CZ2-CG2 3.37Å; W657-V659 VanDerWaalsContact NE1-CG2 3.3Å; W657-E774 PolarHBondContact NE1-OE1 3.49Å; W657-L775 VanDerWaalsContact CA-O 3.31Å; W657-L775 WeakPolarHBondContact CA-O 3.22Å; W657-N842 PolarHBondContact N-OD1 3.21Å; W657-N842 PolarHBondContact O-N 3.03Å; W657-N842 PolarHBondContact O-OD1 3.01Å |
| 658 | I | 85.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 126.6 | -172 | -56.9 | 176.1 | 0 | 0 | 0 | 108.6 | F660 F737 I739 E774 L775 S840 Y841 | I658-F660 HydrophobicContact CG2-CD1 4.13Å; I658-F660 HydrophobicContact CG2-CE1 4.24Å; I658-F737 HydrophobicContact CD1-CD1 3.96Å; I658-F737 HydrophobicContact CD1-CE1 3.28Å; I658-F737 HydrophobicContact CD1-CZ 3.96Å; I658-I739 HydrophobicContact CG2-CD1 4.36Å; I658-E774 CarbonylContact O-C 3.46Å; I658-E774 WeakPolarHBondContact O-CA 3.37Å; I658-L775 HydrophobicContact CD1-CD2 4.46Å; I658-L775 PolarHBondContact N-O 2.73Å; I658-L775 PolarHBondContact O-N 2.77Å; I658-S840 WeakPolarHBondContact CA-O 3.33Å; I658-Y841 HydrophobicContact CD1-CD2 3.68Å; I658-Y841 HydrophobicContact CD1-CE2 3.64Å; I658-Y841 HydrophobicContact CG1-CD2 3.67Å; I658-Y841 HydrophobicContact CG1-CE2 4.03Å; I658-Y841 HydrophobicContact CG1-CG 4.45Å |
| 659 | V | 86.6 | Confident | 77.6 | Confident | 20 Ų | 20 | 26.8 Ų | 26.8 | 12% | 0.121 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 137.9 | 178.9 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | W657 F773 E774 F839 S840 | W657-V659 VanDerWaalsContact CE2-CG2 3.43Å; W657-V659 HydrophobicContact CH2-CG2 4.47Å; W657-V659 HydrophobicContact CZ2-CB 4.38Å; W657-V659 HydrophobicContact CZ2-CG2 3.37Å; W657-V659 VanDerWaalsContact NE1-CG2 3.3Å; V659-F773 CarbonylContact C-O 3.55Å; V659-F773 VanDerWaalsContact CA-O 3.3Å; V659-F773 WeakPolarHBondContact CA-O 3.49Å; V659-E774 HydrophobicContact CG2-CB 3.82Å; V659-E774 HydrophobicContact CG2-CG 3.75Å; V659-F839 CarbonylContact O-C 3.59Å; V659-F839 WeakPolarHBondContact O-CA 3.21Å; V659-S840 PolarHBondContact N-O 2.85Å; V659-S840 PolarHBondContact O-N 2.86Å |
| 660 | F | 91.1 | Very high | 78.7 | Confident | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 157.3 | 165.2 | 55.9 | -87.3 | 0 | 0 | 0 | 111.2 | I658 F662 I671 I739 F773 I836 F839 | I658-F660 HydrophobicContact CG2-CD1 4.13Å; I658-F660 HydrophobicContact CG2-CE1 4.24Å; F660-F662 HydrophobicContact CD2-CB 4.01Å; F660-F662 AromaticContact CD2-CD1 3.9Å; F660-F662 HydrophobicContact CD2-CD1 3.9Å; F660-F662 HydrophobicContact CD2-CG 4.36Å; F660-F662 HydrophobicContact CE2-CB 4.12Å; F660-F662 AromaticContact CE2-CD1 3.54Å; F660-F662 HydrophobicContact CE2-CD1 3.54Å; F660-F662 HydrophobicContact CE2-CE1 4.3Å; F660-F662 HydrophobicContact CE2-CG 4.07Å; F660-I671 HydrophobicContact CE2-CG2 4.01Å; F660-I671 HydrophobicContact CZ-CG2 3.92Å; F660-I739 HydrophobicContact CE1-CD1 3.86Å; F660-I739 HydrophobicContact CZ-CD1 4.33Å; F660-I739 HydrophobicContact CZ-CG2 4.38Å; F660-F773 HydrophobicContact CD1-CD1 4.08Å; F660-F773 HydrophobicContact CD2-CB 4.37Å; F660-F773 HydrophobicContact CE1-CB 4.36Å; F660-F773 AromaticContact CE1-CD1 3.36Å; F660-F773 HydrophobicContact CE1-CD1 3.36Å; F660-F773 AromaticContact CE1-CE1 3.84Å; F660-F773 HydrophobicContact CE1-CE1 3.84Å; F660-F773 HydrophobicContact CE1-CG 4.07Å; F660-F773 HydrophobicContact CE2-CB 4.04Å; F660-F773 HydrophobicContact CE2-CD1 4.4Å; F660-F773 HydrophobicContact CE2-CG 4.3Å; F660-F773 HydrophobicContact CZ-CB 4.03Å; F660-F773 AromaticContact CZ-CD1 3.56Å; F660-F773 HydrophobicContact CZ-CD1 3.56Å; F660-F773 HydrophobicContact CZ-CE1 4.09Å; F660-F773 AromaticContact CZ-CG 3.8Å; F660-F773 HydrophobicContact CZ-CG 3.8Å; F660-F773 PolarHBondContact N-O 2.87Å; F660-F773 PolarHBondContact O-N 2.88Å; F660-I836 HydrophobicContact CB-CG2 4.13Å; F660-F839 HydrophobicContact CB-CB 4.4Å; F660-F839 HydrophobicContact CB-CD2 3.97Å; F660-F839 HydrophobicContact CD1-CD2 4.28Å; F660-F839 HydrophobicContact CD1-CE2 4.36Å; F660-F839 HydrophobicContact CG-CD2 4.39Å |
| 661 | M | 90.6 | Very high | 79.6 | Confident | 12 Ų | 12 | 24.9 Ų | 24.9 | 6% | 0.059 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 143.6 | 160.9 | -71.4 | -179.7 | 61.2 | 0 | 0 | 109.6 | Y621 W770 H771 H772 I836 A837 Y838 | Y621-M661 HydrophobicContact CD1-CE 4.3Å; Y621-M661 HydrophobicContact CG-CE 4.46Å; M661-W770 HydrophobicContact CB-CE3 3.88Å; M661-W770 HydrophobicContact CB-CZ3 4.05Å; M661-W770 HydrophobicContact CE-CB 4.18Å; M661-W770 HydrophobicContact CE-CD2 4.5Å; M661-W770 HydrophobicContact CE-CE3 4.17Å; M661-H771 CarbonylContact C-O 3.55Å; M661-H771 WeakPolarHBondContact CA-O 3.43Å; M661-H772 HydrophobicContact CG-CB 4.38Å; M661-I836 CarbonylContact O-C 3.23Å; M661-I836 WeakPolarHBondContact O-CA 3.22Å; M661-A837 HydrophobicContact CB-CB 4.44Å; M661-A837 PolarHBondContact N-O 2.78Å; M661-A837 PolarHBondContact O-N 2.89Å; M661-Y838 HydrophobicContact CG-CD2 4.38Å; M661-Y838 HydrophobicContact SD-CD2 3.67Å; M661-Y838 HydrophobicContact SD-CE2 4.08Å |
| 662 | F | 91.5 | Very high | 80.6 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 158.5 | 179 | 73.6 | -83.7 | 0 | 0 | 0 | 113.2 | F660 T664 I746 L765 W770 H771 F773 D835 I836 | F660-F662 HydrophobicContact CD2-CB 4.01Å; F660-F662 AromaticContact CD2-CD1 3.9Å; F660-F662 HydrophobicContact CD2-CD1 3.9Å; F660-F662 HydrophobicContact CD2-CG 4.36Å; F660-F662 HydrophobicContact CE2-CB 4.12Å; F660-F662 AromaticContact CE2-CD1 3.54Å; F660-F662 HydrophobicContact CE2-CD1 3.54Å; F660-F662 HydrophobicContact CE2-CE1 4.3Å; F660-F662 HydrophobicContact CE2-CG 4.07Å; F662-T664 HydrophobicContact CD2-CG2 4.39Å; F662-I746 HydrophobicContact CE1-CD1 3.8Å; F662-I746 HydrophobicContact CZ-CD1 3.68Å; F662-L765 HydrophobicContact CE2-CB 4.14Å; F662-L765 HydrophobicContact CZ-CB 3.99Å; F662-L765 HydrophobicContact CZ-CD1 4.16Å; F662-L765 HydrophobicContact CZ-CD2 4.25Å; F662-L765 HydrophobicContact CZ-CG 4.35Å; F662-W770 WeakPolarHBondContact O-CA 3.44Å; F662-H771 HydrophobicContact CD1-CB 4.19Å; F662-H771 HydrophobicContact CE1-CB 3.61Å; F662-H771 HydrophobicContact CE2-CB 4.33Å; F662-H771 HydrophobicContact CZ-CB 3.69Å; F662-H771 PolarHBondContact N-O 2.82Å; F662-H771 PolarHBondContact O-N 2.84Å; F662-F773 HydrophobicContact CD1-CB 4.47Å; F662-F773 HydrophobicContact CE1-CB 4.28Å; F662-D835 CarbonylContact C-O 3.56Å; F662-D835 VanDerWaalsContact CA-O 3.26Å; F662-D835 WeakPolarHBondContact CA-O 3.36Å; F662-I836 HydrophobicContact CB-CG1 4.5Å |
| 663 | Q | 88.4 | Confident | 81.6 | Confident | 23 Ų | 23 | 23.1 Ų | 23.1 | 11% | 0.107 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 111.4 | -178.4 | 176 | -131.8 | -110.5 | 0 | 0 | 111.6 | G768 K769 W770 Y832 G834 D835 | Q663-G768 VanDerWaalsContact CG-O 3.31Å; Q663-G768 WeakPolarHBondContact CG-O 3.43Å; Q663-K769 VanDerWaalsContact CA-O 3.23Å; Q663-K769 WeakPolarHBondContact CA-O 3.44Å; Q663-K769 WeakPolarHBondContact CB-O 3.3Å; Q663-K769 WeakPolarHBondContact CG-O 3.27Å; Q663-W770 HydrophobicContact CB-CD2 3.59Å; Q663-W770 HydrophobicContact CB-CE3 3.89Å; Q663-W770 HydrophobicContact CB-CG 3.97Å; Q663-W770 HydrophobicContact CB-CH2 4.25Å; Q663-W770 HydrophobicContact CB-CZ2 3.94Å; Q663-W770 HydrophobicContact CB-CZ3 4.22Å; Q663-W770 HydrophobicContact CG-CD2 4.31Å; Q663-W770 HydrophobicContact CG-CG 4.31Å; Q663-Y832 PolarHBondContact N-OH 2.95Å; Q663-G834 WeakPolarHBondContact O-CA 3.49Å; Q663-D835 HydrophobicContact CB-CB 4.42Å; Q663-D835 PolarHBondContact N-O 2.73Å; Q663-D835 PolarHBondContact NE2-OD2 2.82Å; Q663-D835 PolarHBondContact O-N 3.1Å |
| 664 | T | 85.9 | Confident | 82.6 | Confident | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.018 | 12% | 0.117 | C | C | . | . | trans | -143.9 | 156.6 | -178.2 | -175.3 | 0 | 0 | 0 | 0 | 114.4 | F662 H666 L741 S766 D767 G768 Y832 N833 | F662-T664 HydrophobicContact CD2-CG2 4.39Å; T664-H666 PolarHBondContact OG1-N 2.96Å; T664-L741 HydrophobicContact CG2-CD2 3.66Å; T664-S766 CarbonylContact O-C 3.58Å; T664-S766 VanDerWaalsContact O-C 3.27Å; T664-S766 WeakPolarHBondContact O-CA 3.38Å; T664-D767 PolarHBondContact O-N 2.85Å; T664-G768 WeakPolarHBondContact O-CA 3.38Å; T664-G768 PolarHBondContact O-N 2.82Å; T664-Y832 WeakPolarHBondContact CB-OH 3.39Å; T664-Y832 HydrophobicContact CG2-CE2 4.04Å; T664-N833 WeakPolarHBondContact CB-O 3.27Å; T664-N833 PolarHBondContact OG1-O 2.92Å | ||
| 665 | N | 77.7 | Confident | 83.4 | Confident | 120 Ų | 120 | 24.5 Ų | 24.5 | 64% | 0.642 | 12% | 0.124 | S | C | * | . | trans | -109.6 | -5.2 | 169.9 | -58.3 | -82 | 0 | 0 | 0 | 112.6 | G768 | N665-G768 VanDerWaalsContact OD1-CA 3.29Å; N665-G768 WeakPolarHBondContact OD1-CA 3.47Å | ||
| 666 | H | 77.4 | Confident | 84.2 | Confident | 30 Ų | 30 | 25.4 Ų | 25.4 | 14% | 0.139 | 13% | 0.13 | C | C | . | . | trans | -87 | 139.8 | -177.2 | -81.6 | -87.4 | 0 | 0 | 0 | 110.6 | T664 L741 S766 N833 Q1069 | T664-H666 PolarHBondContact OG1-N 2.96Å; H666-L741 WeakPolarHBondContact O-CD2 3.23Å; H666-S766 WeakPolarHBondContact O-CB 3.25Å; H666-S766 PolarHBondContact O-OG 2.84Å; H666-N833 VanDerWaalsContact CD2-CG 3.49Å; H666-N833 PolarHBondContact CD2-OD1 2.96Å; H666-N833 VanDerWaalsContact CD2-OD1 3.26Å; H666-Q1069 PolarHBondContact CE1-NE2 2.81Å; H666-Q1069 VanDerWaalsContact CE1-NE2 3.28Å; H666-Q1069 PolarHBondContact NE2-NE2 3.09Å | ||
| 667 | L | 77 | Confident | 83.9 | Confident | 87 Ų | 87 | 27.4 Ų | 27.4 | 46% | 0.455 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -77.1 | -29.7 | -177.9 | -65.2 | 173 | 0 | 0 | 0 | 113.3 | V742 N743 G744 F764 | L667-V742 CarbonylContact O-C 3.59Å; L667-N743 PolarHBondContact O-N 2.9Å; L667-N743 VanDerWaalsContact O-N 3.09Å; L667-G744 PolarHBondContact O-N 3.05Å; L667-F764 HydrophobicContact CD2-CE2 3.66Å; L667-F764 HydrophobicContact CD2-CZ 3.69Å |
| 668 | N | 79.7 | Confident | 83.2 | Confident | 83 Ų | 83 | 29.3 Ų | 29.3 | 44% | 0.444 | 15% | 0.152 | S | C | . | . | trans | -130.6 | 136.3 | -171.8 | -66.4 | -17.7 | 0 | 0 | 0 | 111.2 | L741 N743 | N668-L741 CarbonylContact C-O 3.15Å; N668-L741 VanDerWaalsContact CA-O 3.27Å; N668-L741 WeakPolarHBondContact CA-O 3.16Å; N668-N743 PolarHBondContact OD1-N 2.94Å | ||
| 669 | G | 80.3 | Confident | 81.4 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.6 | 154.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L741 N830 | G669-L741 PolarHBondContact N-O 3.27Å; G669-L741 WeakPolarHBondContact O-CB 3.13Å; G669-L741 PolarHBondContact O-N 2.87Å; G669-N830 CarbonylContact C-O 3.43Å; G669-N830 WeakPolarHBondContact CA-O 3.45Å |
| 670 | T | 86.5 | Confident | 79.3 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 121.1 | 175.6 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | L740 I829 N830 Y832 | T670-L740 HydrophobicContact CG2-CD2 4.07Å; T670-I829 VanDerWaalsContact OG1-CG2 3.25Å; T670-I829 WeakPolarHBondContact OG1-CG2 3.41Å; T670-N830 PolarHBondContact N-O 2.96Å; T670-Y832 WeakPolarHBondContact O-CA 3.43Å; T670-Y832 VanDerWaalsContact O-CB 3.27Å; T670-Y832 WeakPolarHBondContact O-CB 3.37Å; T670-Y832 PolarHBondContact O-N 2.79Å |
| 671 | I | 90.5 | Very high | 76.8 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -51.6 | 174.1 | -64.3 | 163.3 | 0 | 0 | 0 | 109.9 | F660 I739 L741 I746 I809 G810 Y832 I836 | F660-I671 HydrophobicContact CE2-CG2 4.01Å; F660-I671 HydrophobicContact CZ-CG2 3.92Å; I671-I739 HydrophobicContact CB-CB 4.41Å; I671-I739 HydrophobicContact CB-CG2 4.25Å; I671-I739 WeakPolarHBondContact CB-O 3.35Å; I671-I739 HydrophobicContact CD1-CG2 4.15Å; I671-I739 PolarHBondContact N-O 3.23Å; I671-L741 HydrophobicContact CD1-CB 4.37Å; I671-I746 HydrophobicContact CD1-CD1 4.36Å; I671-I746 HydrophobicContact CD1-CG1 4.38Å; I671-I809 WeakPolarHBondContact O-CA 3.07Å; I671-I809 WeakPolarHBondContact O-CG2 3.18Å; I671-G810 PolarHBondContact O-N 2.88Å; I671-Y832 HydrophobicContact CD1-CE2 4.43Å; I671-Y832 HydrophobicContact CG1-CD2 3.6Å; I671-Y832 HydrophobicContact CG1-CE2 3.87Å; I671-Y832 HydrophobicContact CG1-CG 4.42Å; I671-I836 HydrophobicContact CG2-CD1 4.26Å |
| 672 | L | 91.1 | Very high | 74.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 147.7 | -177.7 | 176.5 | 148 | 0 | 0 | 0 | 111.7 | T674 F737 Q738 I739 I807 I808 I809 F839 Y841 | L672-T674 HydrophobicContact CD2-CG2 4.19Å; L672-F737 HydrophobicContact CD2-CD1 3.63Å; L672-F737 HydrophobicContact CD2-CE1 3.74Å; L672-Q738 CarbonylContact O-C 3.54Å; L672-Q738 WeakPolarHBondContact O-CA 3.39Å; L672-I739 HydrophobicContact CB-CB 4.24Å; L672-I739 HydrophobicContact CB-CD1 4.44Å; L672-I739 HydrophobicContact CB-CG1 4.4Å; L672-I739 HydrophobicContact CD2-CG1 4.38Å; L672-I739 PolarHBondContact N-O 3.25Å; L672-I739 VanDerWaalsContact N-O 3.14Å; L672-I739 PolarHBondContact O-N 2.93Å; L672-I807 HydrophobicContact CD1-CG2 4.03Å; L672-I808 CarbonylContact C-O 3.31Å; L672-I808 WeakPolarHBondContact CA-O 3.03Å; L672-I809 HydrophobicContact CD1-CG1 4.5Å; L672-F839 HydrophobicContact CD1-CE2 3.57Å; L672-F839 HydrophobicContact CD1-CZ 3.44Å; L672-F839 VanDerWaalsContact CD1-CZ 3.44Å; L672-Y841 HydrophobicContact CD1-CD2 4.48Å |
| 673 | Y | 88.4 | Confident | 71.6 | Confident | 36 Ų | 36 | 53.7 Ų | 53.7 | 14% | 0.141 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 145.6 | 175.1 | 169 | -117.3 | 0 | 0 | 0 | 110.5 | E675 F737 Q738 I808 | Y673-E675 HydrophobicContact CE1-CB 3.79Å; Y673-E675 HydrophobicContact CE1-CG 4.12Å; Y673-F737 CarbonylContact C-O 3.42Å; Y673-F737 WeakPolarHBondContact CA-O 3.44Å; Y673-Q738 HydrophobicContact CD2-CG 4.05Å; Y673-I808 HydrophobicContact CD1-CB 4.4Å; Y673-I808 HydrophobicContact CD1-CD1 4.18Å; Y673-I808 PolarHBondContact N-O 3.26Å; Y673-I808 PolarHBondContact O-N 3.09Å |
| 674 | T | 87.2 | Confident | 69.3 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 141.4 | 173.3 | 67.9 | 0 | 0 | 0 | 0 | 112 | L672 S736 F737 V804 Q806 Y841 | L672-T674 HydrophobicContact CD2-CG2 4.19Å; T674-S736 WeakPolarHBondContact O-CB 3.32Å; T674-F737 HydrophobicContact CG2-CB 4.23Å; T674-F737 HydrophobicContact CG2-CD1 4.35Å; T674-F737 PolarHBondContact N-O 2.95Å; T674-F737 PolarHBondContact OG1-N 2.85Å; T674-V804 HydrophobicContact CG2-CG1 4.28Å; T674-V804 HydrophobicContact CG2-CG2 4.34Å; T674-Q806 WeakPolarHBondContact CA-O 3.38Å; T674-Y841 HydrophobicContact CG2-CE2 4.23Å |
| 675 | E | 80.7 | Confident | 67 | Low | 57 Ų | 57 | 59.2 Ų | 59.2 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 135.9 | -175.7 | -162.7 | 165.7 | -157.6 | 0 | 0 | 111.3 | Y673 Q805 Q806 | Y673-E675 HydrophobicContact CE1-CB 3.79Å; Y673-E675 HydrophobicContact CE1-CG 4.12Å; E675-Q805 PolarHBondContact O-N 2.83Å; E675-Q806 HydrophobicContact CB-CB 4.26Å; E675-Q806 PolarHBondContact N-O 3.26Å; E675-Q806 PolarHBondContact O-N 2.65Å |
| 676 | P | 79.7 | Confident | 64.9 | Low | 20 Ų | 20 | 58.9 Ų | 58.9 | 13% | 0.13 | 30% | 0.295 | C | S | . | . | trans | -87.8 | 164.9 | 176.5 | 34.9 | -35.1 | 0 | 0 | 0 | 113.1 | L678 H734 P803 | P676-L678 PolarHBondContact O-N 2.83Å; P676-H734 HydrophobicContact CG-CB 4.14Å; P676-P803 HydrophobicContact CB-CB 4.17Å; P676-P803 HydrophobicContact CB-CG 4.24Å | ||
| 677 | D | 70.6 | Confident | 62.9 | Low | 45 Ų | 45 | 65.4 Ų | 65.4 | 24% | 0.241 | 32% | 0.323 | C | S | . | . | trans | -78.6 | 108.7 | 175 | -176.5 | 6.7 | 0 | 0 | 0 | 111.9 | Q679 Y680 Q805 | D677-Q679 WeakPolarHBondContact OD1-CA 3.47Å; D677-Q679 WeakPolarHBondContact OD1-CB 3.46Å; D677-Q679 PolarHBondContact OD1-N 3.08Å; D677-Y680 PolarHBondContact OD1-N 3.11Å; D677-Y680 WeakPolarHBondContact OD2-CB 3.27Å; D677-Y680 PolarHBondContact OD2-N 2.78Å; D677-Q805 HydrophobicContact CB-CB 4.01Å; D677-Q805 HydrophobicContact CB-CG 3.88Å | ||
| 678 | L | 60.3 | Low | 60.9 | Low | 69 Ų | 69 | 67.5 Ų | 67.5 | 36% | 0.361 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -75.5 | -25.5 | 175.3 | -70.3 | 167.3 | 0 | 0 | 0 | 113.5 | P676 Y680 F730 | P676-L678 PolarHBondContact O-N 2.83Å; L678-Y680 VanDerWaalsContact C-N 3.35Å; L678-F730 HydrophobicContact CD1-CD1 4.27Å; L678-F730 HydrophobicContact CD1-CE1 4.31Å |
| 679 | Q | 47.8 | Very low | 58.7 | Low | 137 Ų | 137 | 67.9 Ų | 67.9 | 64% | 0.64 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -76.6 | -22.3 | 177.8 | -67.6 | -166.9 | -4.9 | 0 | 0 | 112.6 | D677 K681 V682 N683 | D677-Q679 WeakPolarHBondContact OD1-CA 3.47Å; D677-Q679 WeakPolarHBondContact OD1-CB 3.46Å; D677-Q679 PolarHBondContact OD1-N 3.08Å; Q679-K681 VanDerWaalsContact C-N 3.26Å; Q679-K681 PolarHBondContact O-N 3.33Å; Q679-V682 PolarHBondContact O-N 3.38Å; Q679-N683 PolarHBondContact O-N 3.45Å; Q679-N683 PolarHBondContact O-ND2 2.94Å |
| 680 | Y | 42.9 | Very low | 56.3 | Low | 71 Ų | 71 | 72 Ų | 72 | 28% | 0.278 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.3 | -37.1 | 178.8 | -148.5 | -96.4 | 0 | 0 | 0 | 112.6 | H358 D677 L678 V682 I684 | H358-Y680 VanDerWaalsContact CB-OH 3.27Å; H358-Y680 WeakPolarHBondContact CB-OH 3.19Å; H358-Y680 PolarHBondContact CD2-OH 2.82Å; H358-Y680 VanDerWaalsContact CD2-OH 3.27Å; D677-Y680 PolarHBondContact OD1-N 3.11Å; D677-Y680 WeakPolarHBondContact OD2-CB 3.27Å; D677-Y680 PolarHBondContact OD2-N 2.78Å; L678-Y680 VanDerWaalsContact C-N 3.35Å; Y680-V682 VanDerWaalsContact C-N 3.3Å; Y680-V682 PolarHBondContact O-N 2.67Å; Y680-I684 HydrophobicContact CD1-CD1 3.73Å; Y680-I684 HydrophobicContact CD1-CG1 4.33Å; Y680-I684 HydrophobicContact CE1-CD1 3.81Å; Y680-I684 HydrophobicContact CE1-CG1 4.27Å; Y680-I684 WeakPolarHBondContact O-CG1 3.28Å; Y680-I684 PolarHBondContact O-N 3.48Å |
| 681 | K | 38.5 | Very low | 53.7 | Low | 168 Ų | 168 | 80.9 Ų | 80.9 | 73% | 0.73 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64 | -31.8 | 174.7 | -79.5 | -170.8 | 173.2 | -176 | 0 | 113.1 | Q679 | Q679-K681 VanDerWaalsContact C-N 3.26Å; Q679-K681 PolarHBondContact O-N 3.33Å |
| 682 | V | 37.2 | Very low | 50.8 | Low | 87 Ų | 87 | 90.2 Ų | 90.2 | 53% | 0.527 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -78.9 | -48.6 | 180 | -173.7 | 0 | 0 | 0 | 0 | 110.8 | Q679 Y680 I684 I685 | Q679-V682 PolarHBondContact O-N 3.38Å; Y680-V682 VanDerWaalsContact C-N 3.3Å; Y680-V682 PolarHBondContact O-N 2.67Å; V682-I684 PolarHBondContact O-N 3.38Å; V682-I684 VanDerWaalsContact O-N 3.11Å; V682-I685 WeakPolarHBondContact O-CB 3.5Å; V682-I685 PolarHBondContact O-N 3.44Å |
| 683 | N | 36.7 | Very low | 47.9 | Very low | 82 Ų | 82 | 95.7 Ų | 95.7 | 44% | 0.439 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.4 | -16.3 | -178.8 | -78 | -53.4 | 0 | 0 | 0 | 114.3 | Q679 | Q679-N683 PolarHBondContact O-N 3.45Å; Q679-N683 PolarHBondContact O-ND2 2.94Å |
| 684 | I | 38.5 | Very low | 45.1 | Very low | 31 Ų | 31 | 100.7 Ų | 100.7 | 16% | 0.159 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -71.5 | -44.2 | 169.4 | -76.7 | 169.9 | 0 | 0 | 0 | 110.8 | Y680 V682 D686 K687 F688 | Y680-I684 HydrophobicContact CD1-CD1 3.73Å; Y680-I684 HydrophobicContact CD1-CG1 4.33Å; Y680-I684 HydrophobicContact CE1-CD1 3.81Å; Y680-I684 HydrophobicContact CE1-CG1 4.27Å; Y680-I684 WeakPolarHBondContact O-CG1 3.28Å; Y680-I684 PolarHBondContact O-N 3.48Å; V682-I684 PolarHBondContact O-N 3.38Å; V682-I684 VanDerWaalsContact O-N 3.11Å; I684-D686 PolarHBondContact O-N 2.9Å; I684-K687 PolarHBondContact O-N 2.88Å; I684-F688 HydrophobicContact CG2-CD2 3.74Å; I684-F688 HydrophobicContact CG2-CE2 4.1Å; I684-F688 WeakPolarHBondContact O-CD2 3.28Å; I684-F688 PolarHBondContact O-N 2.89Å |
| 685 | I | 37.6 | Very low | 42.3 | Very low | 111 Ų | 111 | 111 Ų | 111 | 57% | 0.569 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.9 | -46.1 | -176.2 | -61.2 | 171.6 | 0 | 0 | 0 | 110.3 | V682 K687 F688 I689 | V682-I685 WeakPolarHBondContact O-CB 3.5Å; V682-I685 PolarHBondContact O-N 3.44Å; I685-K687 VanDerWaalsContact C-N 3.25Å; I685-K687 PolarHBondContact O-N 3.24Å; I685-F688 PolarHBondContact O-N 3.4Å; I685-I689 PolarHBondContact O-N 3.47Å |
| 686 | D | 34.9 | Very low | 39.9 | Very low | 112 Ų | 112 | 116.9 Ų | 116.9 | 60% | 0.599 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.5 | -19.8 | 177.1 | -76.3 | -27.1 | 0 | 0 | 0 | 114.4 | I684 | I684-D686 PolarHBondContact O-N 2.9Å |
| 687 | K | 34.9 | Very low | 37.5 | Very low | 168 Ų | 168 | 126.5 Ų | 126.5 | 73% | 0.73 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -90.8 | -27.5 | 175.7 | -82.4 | 179.4 | 177.8 | 170.7 | 0 | 113.8 | I684 I685 | I684-K687 PolarHBondContact O-N 2.88Å; I685-K687 VanDerWaalsContact C-N 3.25Å; I685-K687 PolarHBondContact O-N 3.24Å |
| 688 | F | 35.9 | Very low | 35.5 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 58% | 0.575 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -90.6 | -9.2 | -178.7 | -85.2 | -92.7 | 0 | 0 | 0 | 113.9 | I684 I685 P690 | I684-F688 HydrophobicContact CG2-CD2 3.74Å; I684-F688 HydrophobicContact CG2-CE2 4.1Å; I684-F688 WeakPolarHBondContact O-CD2 3.28Å; I684-F688 PolarHBondContact O-N 2.89Å; I685-F688 PolarHBondContact O-N 3.4Å; F688-P690 VanDerWaalsContact O-CD 3.28Å; F688-P690 WeakPolarHBondContact O-CD 3.44Å |
| 689 | I | 32.2 | Very low | 34.2 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 46% | 0.462 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -68.4 | 113.3 | 159.3 | -64.1 | 166.6 | 0 | 0 | 0 | 107.9 | I685 Q691 I693 | I685-I689 PolarHBondContact O-N 3.47Å; I689-Q691 PolarHBondContact O-N 2.9Å; I689-I693 HydrophobicContact CG2-CD1 4.35Å |
| 690 | P | 30.2 | Very low | 33.6 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 58% | 0.578 | 62% | 0.624 | S | S | * | * | trans | -69.1 | 130.7 | -170.3 | 26.5 | -34.2 | 0 | 0 | 0 | 111.6 | F688 K692 I693 | F688-P690 VanDerWaalsContact O-CD 3.28Å; F688-P690 WeakPolarHBondContact O-CD 3.44Å; P690-K692 PolarHBondContact O-N 2.86Å; P690-I693 PolarHBondContact O-N 2.9Å | ||
| 691 | Q | 32.7 | Very low | 33.3 | Very low | 193 Ų | 193 | 137.3 Ų | 137.3 | 90% | 0.902 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 21.1 | -179.9 | -62.1 | -170.7 | -4.6 | 0 | 0 | 114.9 | I689 | I689-Q691 PolarHBondContact O-N 2.9Š|
| 692 | K | 29.6 | Very low | 33.3 | Very low | 198 Ų | 198 | 133.4 Ų | 133.4 | 86% | 0.861 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -1.5 | 169.1 | -80.5 | -179.6 | 175.4 | 171.2 | 0 | 113.5 | P690 N694 | P690-K692 PolarHBondContact O-N 2.86Å; K692-N694 PolarHBondContact O-N 3.43Å |
| 693 | I | 29.6 | Very low | 33.5 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 59% | 0.585 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -72.2 | 108.1 | 164.1 | -57.7 | -178.7 | 0 | 0 | 0 | 108.4 | I689 P690 K695 | I689-I693 HydrophobicContact CG2-CD1 4.35Å; P690-I693 PolarHBondContact O-N 2.9Å; I693-K695 PolarHBondContact O-N 3.19Å |
| 694 | N | 29.2 | Very low | 33.5 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 75% | 0.754 | 62% | 0.622 | S | S | * | * | trans | -51.6 | 132.5 | 177.1 | -92.8 | -61.3 | 0 | 0 | 0 | 111.6 | K692 K696 | K692-N694 PolarHBondContact O-N 3.43Å; N694-K696 PolarHBondContact O-N 2.63Å | ||
| 695 | K | 29.5 | Very low | 33.4 | Very low | 216 Ų | 216 | 139 Ų | 139 | 94% | 0.939 | 65% | 0.647 | S | S | * | * | trans | -71.7 | 54.6 | 169.9 | -69.5 | -173.8 | 177.5 | 179.2 | 0 | 112.6 | I693 | I693-K695 PolarHBondContact O-N 3.19Š| ||
| 696 | K | 28.6 | Very low | 33.2 | Very low | 181 Ų | 181 | 143 Ų | 143 | 79% | 0.787 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 137.1 | 152.9 | -76.4 | -170.3 | 174.2 | -176.5 | 0 | 107.2 | N694 F698 | N694-K696 PolarHBondContact O-N 2.63Å; K696-F698 PolarHBondContact O-N 3.38Å |
| 697 | R | 31.2 | Very low | 33.1 | Very low | 222 Ų | 222 | 143 Ų | 143 | 84% | 0.838 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 119.8 | -177.2 | -67.5 | 172 | 173.4 | 160 | -5.7 | 109.5 | ||
| 698 | F | 28.8 | Very low | 32.6 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 64% | 0.64 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 136.5 | 158 | -73.5 | -73.7 | 0 | 0 | 0 | 108.8 | K696 E702 | K696-F698 PolarHBondContact O-N 3.38Å; F698-E702 HydrophobicContact CD1-CB 4.21Å |
| 699 | T | 31.9 | Very low | 32.5 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 44% | 0.436 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -83.1 | 159.7 | 175.9 | 61.2 | 0 | 0 | 0 | 0 | 110.7 | E701 E702 I703 | T699-E701 PolarHBondContact O-N 2.8Å; T699-E702 WeakPolarHBondContact CB-OE2 3.36Å; T699-E702 PolarHBondContact N-OE2 3.4Å; T699-E702 PolarHBondContact O-N 2.91Å; T699-E702 VanDerWaalsContact O-N 3.08Å; T699-E702 WeakPolarHBondContact OG1-CG 3.36Å; T699-E702 PolarHBondContact OG1-OE2 2.94Å; T699-I703 PolarHBondContact O-N 2.91Å |
| 700 | Y | 35 | Very low | 32.4 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 72% | 0.722 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -59.9 | -27.5 | 179.8 | -164.2 | -105.7 | 0 | 0 | 0 | 112.5 | N704 | Y700-N704 PolarHBondContact O-N 3.19Å; Y700-N704 PolarHBondContact O-ND2 2.85Å |
| 701 | E | 37.7 | Very low | 32.2 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 70% | 0.696 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -74.1 | -31.8 | 176.3 | -59.1 | -171 | 143.3 | 0 | 0 | 113.4 | T699 N704 K705 | T699-E701 PolarHBondContact O-N 2.8Å; E701-N704 PolarHBondContact O-N 3.02Å; E701-K705 PolarHBondContact O-N 3.32Å |
| 702 | E | 37.9 | Very low | 32 | Very low | 85 Ų | 85 | 145.1 Ų | 145.1 | 40% | 0.397 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -73.1 | -36.5 | 177.3 | -70.4 | 164.4 | 122.2 | 0 | 0 | 111.4 | F698 T699 K705 | F698-E702 HydrophobicContact CD1-CB 4.21Å; T699-E702 WeakPolarHBondContact CB-OE2 3.36Å; T699-E702 PolarHBondContact N-OE2 3.4Å; T699-E702 PolarHBondContact O-N 2.91Å; T699-E702 VanDerWaalsContact O-N 3.08Å; T699-E702 WeakPolarHBondContact OG1-CG 3.36Å; T699-E702 PolarHBondContact OG1-OE2 2.94Å; E702-K705 PolarHBondContact O-N 2.81Å |
| 703 | I | 41.7 | Very low | 31.9 | Very low | 87 Ų | 87 | 144.8 Ų | 144.8 | 45% | 0.446 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -63.1 | -45.1 | 171.9 | -64.5 | 169 | 0 | 0 | 0 | 110.2 | T699 K705 F706 I707 | T699-I703 PolarHBondContact O-N 2.91Å; I703-K705 VanDerWaalsContact C-N 3.29Å; I703-K705 PolarHBondContact O-N 3.23Å; I703-F706 PolarHBondContact O-N 3.39Å; I703-F706 VanDerWaalsContact O-N 3.12Å; I703-I707 HydrophobicContact CG2-CD1 4.01Å; I703-I707 PolarHBondContact O-N 3.16Å |
| 704 | N | 36 | Very low | 32 | Very low | 72 Ų | 72 | 145 Ų | 145 | 39% | 0.385 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -63.5 | -31.1 | 178.7 | -75.8 | -29.4 | 0 | 0 | 0 | 113.3 | Y700 E701 F706 I707 S708 | Y700-N704 PolarHBondContact O-N 3.19Å; Y700-N704 PolarHBondContact O-ND2 2.85Å; E701-N704 PolarHBondContact O-N 3.02Å; N704-F706 VanDerWaalsContact C-N 3.29Å; N704-F706 PolarHBondContact O-N 2.9Å; N704-I707 PolarHBondContact O-N 3.26Å; N704-S708 PolarHBondContact O-N 3.15Å; N704-S708 VanDerWaalsContact O-N 3.11Å; N704-S708 PolarHBondContact O-OG 3.22Å |
| 705 | K | 36.6 | Very low | 31.9 | Very low | 158 Ų | 158 | 147.2 Ų | 147.2 | 69% | 0.687 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -65.3 | -27 | 174.1 | -78.8 | 177.3 | -179.9 | 171.6 | 0 | 114 | E701 E702 I703 I707 | E701-K705 PolarHBondContact O-N 3.32Å; E702-K705 PolarHBondContact O-N 2.81Å; I703-K705 VanDerWaalsContact C-N 3.29Å; I703-K705 PolarHBondContact O-N 3.23Å; K705-I707 VanDerWaalsContact C-N 3.32Å |
| 706 | F | 33.3 | Very low | 31.8 | Very low | 197 Ų | 197 | 146.5 Ų | 146.5 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -79.8 | -13.3 | 172 | -96.8 | -88 | 0 | 0 | 0 | 113.5 | I703 N704 | I703-F706 PolarHBondContact O-N 3.39Å; I703-F706 VanDerWaalsContact O-N 3.12Å; N704-F706 VanDerWaalsContact C-N 3.29Å; N704-F706 PolarHBondContact O-N 2.9Å |
| 707 | I | 32.2 | Very low | 31.7 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 57% | 0.569 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -101.1 | -17.7 | -177.4 | -64.4 | 172.2 | 0 | 0 | 0 | 111.8 | I703 N704 K705 | I703-I707 HydrophobicContact CG2-CD1 4.01Å; I703-I707 PolarHBondContact O-N 3.16Å; N704-I707 PolarHBondContact O-N 3.26Å; K705-I707 VanDerWaalsContact C-N 3.32Å |
| 708 | S | 24.8 | Very low | 31.5 | Very low | 79 Ų | 79 | 144.8 Ų | 144.8 | 55% | 0.552 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 85.8 | 176.4 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | N704 | N704-S708 PolarHBondContact O-N 3.15Å; N704-S708 VanDerWaalsContact O-N 3.11Å; N704-S708 PolarHBondContact O-OG 3.22Å |
| 709 | P | 34 | Very low | 31.5 | Very low | 124 Ų | 124 | 148 Ų | 148 | 81% | 0.805 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | -136.9 | 49.7 | 105.1 | 40.4 | -30.6 | 0 | 0 | 0 | 114.2 | |||
| 710 | I | 30.5 | Very low | 31.4 | Very low | 142 Ų | 142 | 150.4 Ų | 150.4 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -109.6 | -13.3 | 173.4 | -69.2 | -179.9 | 0 | 0 | 0 | 113.6 | ||
| 711 | Q | 25.7 | Very low | 31 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -129 | 78.4 | -173.9 | -66 | -171.8 | -4.1 | 0 | 0 | 114.4 | ||
| 712 | Q | 28 | Very low | 30.5 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 92% | 0.921 | 73% | 0.725 | S | S | * | * | trans | -171.4 | 85.3 | 149.1 | -112 | 166.1 | 75.2 | 0 | 0 | 113.5 | ||||
| 713 | Q | 28.6 | Very low | 30.1 | Very low | 192 Ų | 192 | 148 Ų | 148 | 90% | 0.897 | 74% | 0.741 | S | S | * | * | trans | -150.4 | 138.8 | 147.4 | -99.7 | -171.4 | 7.1 | 0 | 0 | 109.3 | ||||
| 714 | P | 31.3 | Very low | 29.6 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -92.6 | 140.5 | -171.7 | 34.8 | -34.4 | 0 | 0 | 0 | 114.2 | ||||
| 715 | Q | 26.4 | Very low | 29.3 | Very low | 187 Ų | 187 | 148.9 Ų | 148.9 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | trans | 30.7 | 89.4 | 150.1 | -61.4 | -175.4 | -1.8 | 0 | 0 | 118.6 | ||||
| 716 | Q | 27.3 | Very low | 29 | Very low | 201 Ų | 201 | 150.2 Ų | 150.2 | 94% | 0.939 | 75% | 0.751 | S | S | * | * | trans | -154 | 170.2 | 136.8 | -119.2 | 157.1 | 82.8 | 0 | 0 | 112.7 | ||||
| 717 | Q | 27.8 | Very low | 28.7 | Very low | 187 Ų | 187 | 146 Ų | 146 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | -87.3 | 120.8 | -159.7 | -61.2 | 167.1 | -8.6 | 0 | 0 | 113 | ||||
| 718 | Q | 26.6 | Very low | 28.6 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | trans | -160.2 | 134 | 147.5 | -113.4 | 162.7 | 30.2 | 0 | 0 | 112.6 | T720 | Q718-T720 PolarHBondContact O-N 3.07Š| ||
| 719 | K | 28.9 | Very low | 28.8 | Very low | 215 Ų | 215 | 150.9 Ų | 150.9 | 94% | 0.935 | 75% | 0.751 | S | S | * | * | trans | -96.7 | 63.4 | 178.5 | -76.4 | -175.4 | 171.2 | -178.1 | 0 | 111.9 | ||||
| 720 | T | 28.3 | Very low | 28.6 | Very low | 120 Ų | 120 | 151.3 Ų | 151.3 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | trans | -160.6 | 137.2 | 169.8 | 28.3 | 0 | 0 | 0 | 0 | 110.1 | Q718 | Q718-T720 PolarHBondContact O-N 3.07Š| ||
| 721 | G | 27.3 | Very low | 28.7 | Very low | 37 Ų | 37 | 146 Ų | 146 | 38% | 0.381 | 72% | 0.721 | S | S | . | * | S | Bend | trans | 144.5 | -80.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q723 I724 | G721-Q723 PolarHBondContact O-N 3.23Å; G721-Q723 VanDerWaalsContact O-N 3.09Å; G721-I724 WeakPolarHBondContact O-CB 3.5Å; G721-I724 PolarHBondContact O-N 2.84Å; G721-I724 VanDerWaalsContact O-N 3.13Å |
| 722 | Q | 27.8 | Very low | 29.5 | Very low | 176 Ų | 176 | 142.5 Ų | 142.5 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -9.3 | -164.2 | -71.6 | 177.3 | -28.7 | 0 | 0 | 116.2 | ||
| 723 | Q | 30.1 | Very low | 30.6 | Very low | 156 Ų | 156 | 137 Ų | 137 | 73% | 0.729 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 1.4 | 175.8 | -140.1 | 173.1 | 9.2 | 0 | 0 | 113.5 | G721 | G721-Q723 PolarHBondContact O-N 3.23Å; G721-Q723 VanDerWaalsContact O-N 3.09Å |
| 724 | I | 31 | Very low | 32.3 | Very low | 81 Ų | 81 | 130.2 Ų | 130.2 | 42% | 0.415 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.8 | -49 | -178.4 | -65.3 | 173.7 | 0 | 0 | 0 | 110.4 | G721 Y726 N727 E728 | G721-I724 WeakPolarHBondContact O-CB 3.5Å; G721-I724 PolarHBondContact O-N 2.84Å; G721-I724 VanDerWaalsContact O-N 3.13Å; I724-Y726 VanDerWaalsContact C-N 3.31Å; I724-Y726 PolarHBondContact O-N 2.81Å; I724-N727 PolarHBondContact O-N 3.49Å; I724-E728 HydrophobicContact CG2-CG 3.88Å; I724-E728 VanDerWaalsContact CG2-OE1 3.27Å; I724-E728 WeakPolarHBondContact CG2-OE1 3.44Å; I724-E728 WeakPolarHBondContact CG2-OE2 3.44Å; I724-E728 PolarHBondContact O-N 3.44Å |
| 725 | V | 29.6 | Very low | 34.4 | Very low | 95 Ų | 95 | 126.7 Ų | 126.7 | 58% | 0.576 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -54.9 | -40.4 | -174.6 | -175.5 | 0 | 0 | 0 | 0 | 113.3 | M729 | V725-M729 PolarHBondContact O-N 3.1Å |
| 726 | Y | 28.8 | Very low | 36.9 | Very low | 187 Ų | 187 | 118 Ų | 118 | 73% | 0.733 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72.4 | -28.2 | 178 | -84.9 | -80.7 | 0 | 0 | 0 | 114.1 | I724 | I724-Y726 VanDerWaalsContact C-N 3.31Å; I724-Y726 PolarHBondContact O-N 2.81Å |
| 727 | N | 27.8 | Very low | 39.8 | Very low | 109 Ų | 109 | 108.4 Ų | 108.4 | 58% | 0.583 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -85.6 | -27.6 | 177.4 | -75.9 | -13 | 0 | 0 | 0 | 112.4 | I724 G731 | I724-N727 PolarHBondContact O-N 3.49Å; N727-G731 WeakPolarHBondContact O-CA 3.29Å; N727-G731 PolarHBondContact O-N 2.95Å |
| 728 | E | 29.3 | Very low | 42.7 | Very low | 142 Ų | 142 | 100.8 Ų | 100.8 | 66% | 0.664 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -73.6 | -32.6 | 174.1 | -71.6 | 179.8 | 159.9 | 0 | 0 | 111.9 | I724 F730 G731 | I724-E728 HydrophobicContact CG2-CG 3.88Å; I724-E728 VanDerWaalsContact CG2-OE1 3.27Å; I724-E728 WeakPolarHBondContact CG2-OE1 3.44Å; I724-E728 WeakPolarHBondContact CG2-OE2 3.44Å; I724-E728 PolarHBondContact O-N 3.44Å; E728-F730 VanDerWaalsContact C-N 3.29Å; E728-F730 PolarHBondContact O-N 2.85Å; E728-G731 PolarHBondContact O-N 3.27Å |
| 729 | M | 29 | Very low | 45.8 | Very low | 149 Ų | 149 | 92.2 Ų | 92.2 | 73% | 0.734 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -20.5 | 179.8 | -138.3 | 171 | -164.7 | 0 | 0 | 114.4 | V725 | V725-M729 PolarHBondContact O-N 3.1Š|
| 730 | F | 31 | Very low | 48.7 | Very low | 133 Ų | 133 | 82.8 Ų | 82.8 | 58% | 0.583 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.3 | 26.6 | 174.5 | -70.5 | -83.7 | 0 | 0 | 0 | 112 | L678 E728 S732 | L678-F730 HydrophobicContact CD1-CD1 4.27Å; L678-F730 HydrophobicContact CD1-CE1 4.31Å; E728-F730 VanDerWaalsContact C-N 3.29Å; E728-F730 PolarHBondContact O-N 2.85Å; F730-S732 PolarHBondContact O-N 3.17Å |
| 731 | G | 31.8 | Very low | 51.5 | Low | 31 Ų | 31 | 77.2 Ų | 77.2 | 32% | 0.32 | 40% | 0.4 | S | S | . | . | trans | -75.7 | 69.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | N727 E728 N733 | N727-G731 WeakPolarHBondContact O-CA 3.29Å; N727-G731 PolarHBondContact O-N 2.95Å; E728-G731 PolarHBondContact O-N 3.27Å; G731-N733 PolarHBondContact O-N 2.83Å | ||
| 732 | S | 42.3 | Very low | 54.2 | Low | 99 Ų | 99 | 77.4 Ų | 77.4 | 69% | 0.692 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 57.4 | -2.4 | 163 | 62.9 | 0 | 0 | 0 | 0 | 119.4 | F730 H734 | F730-S732 PolarHBondContact O-N 3.17Å; S732-H734 PolarHBondContact O-N 2.81Å |
| 733 | N | 51.7 | Low | 56.7 | Low | 83 Ų | 83 | 74 Ų | 74 | 44% | 0.444 | 38% | 0.381 | S | S | . | . | trans | -103.6 | 74.5 | -172.7 | -73.5 | -1.2 | 0 | 0 | 0 | 110.5 | G731 N754 | G731-N733 PolarHBondContact O-N 2.83Å; N733-N754 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 734 | H | 63.7 | Low | 59 | Low | 49 Ų | 49 | 66.6 Ų | 66.6 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | trans | -124.2 | 139.1 | 174 | -57.2 | -28 | 0 | 0 | 0 | 109 | P676 S732 S736 | P676-H734 HydrophobicContact CG-CB 4.14Å; S732-H734 PolarHBondContact O-N 2.81Å; H734-S736 WeakPolarHBondContact O-CB 3.27Å; H734-S736 PolarHBondContact O-N 3Å; H734-S736 VanDerWaalsContact O-N 3.17Å; H734-S736 PolarHBondContact O-OG 2.86Å | ||
| 735 | D | 75.4 | Confident | 61.6 | Low | 45 Ų | 45 | 65.2 Ų | 65.2 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | trans | -58.4 | 121.9 | -176.7 | -59.4 | -28.5 | 0 | 0 | 0 | 109.4 | I751 V752 D753 L802 P803 | D735-I751 CarbonylContact C-O 3.59Å; D735-I751 VanDerWaalsContact CA-O 3.27Å; D735-I751 WeakPolarHBondContact CA-O 3.34Å; D735-V752 VanDerWaalsContact OD1-CA 3.27Å; D735-V752 WeakPolarHBondContact OD1-CA 3.39Å; D735-D753 PolarHBondContact OD1-N 2.74Å; D735-L802 HydrophobicContact CB-CD1 4.31Å; D735-P803 HydrophobicContact CB-CG 3.85Å | ||
| 736 | S | 80.4 | Confident | 64.5 | Low | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 151.6 | -168.4 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | T674 H734 I751 | T674-S736 WeakPolarHBondContact O-CB 3.32Å; H734-S736 WeakPolarHBondContact O-CB 3.27Å; H734-S736 PolarHBondContact O-N 3Å; H734-S736 VanDerWaalsContact O-N 3.17Å; H734-S736 PolarHBondContact O-OG 2.86Å; S736-I751 PolarHBondContact N-O 2.88Å; S736-I751 PolarHBondContact O-N 2.85Å |
| 737 | F | 86.5 | Confident | 67.5 | Low | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 138.9 | 177 | 173.4 | -105.9 | 0 | 0 | 0 | 109.9 | L656 I658 L672 Y673 T674 I739 V748 Y750 L775 L802 | L656-F737 HydrophobicContact CD1-CD2 4.47Å; L656-F737 HydrophobicContact CD1-CG 4.48Å; I658-F737 HydrophobicContact CD1-CD1 3.96Å; I658-F737 HydrophobicContact CD1-CE1 3.28Å; I658-F737 HydrophobicContact CD1-CZ 3.96Å; L672-F737 HydrophobicContact CD2-CD1 3.63Å; L672-F737 HydrophobicContact CD2-CE1 3.74Å; Y673-F737 CarbonylContact C-O 3.42Å; Y673-F737 WeakPolarHBondContact CA-O 3.44Å; T674-F737 HydrophobicContact CG2-CB 4.23Å; T674-F737 HydrophobicContact CG2-CD1 4.35Å; T674-F737 PolarHBondContact N-O 2.95Å; T674-F737 PolarHBondContact OG1-N 2.85Å; F737-I739 HydrophobicContact CE1-CD1 3.8Å; F737-I739 HydrophobicContact CE1-CG1 3.56Å; F737-I739 HydrophobicContact CZ-CD1 3.94Å; F737-I739 HydrophobicContact CZ-CG1 3.6Å; F737-V748 HydrophobicContact CD2-CG1 4.39Å; F737-V748 HydrophobicContact CE2-CG1 3.35Å; F737-V748 HydrophobicContact CZ-CG1 3.8Å; F737-Y750 HydrophobicContact CB-CD1 4.37Å; F737-Y750 HydrophobicContact CB-CE1 4.28Å; F737-Y750 AromaticContact CD2-CD1 3.68Å; F737-Y750 HydrophobicContact CD2-CD1 3.68Å; F737-Y750 HydrophobicContact CD2-CD2 4.37Å; F737-Y750 AromaticContact CD2-CE1 3.22Å; F737-Y750 HydrophobicContact CD2-CE1 3.22Å; F737-Y750 AromaticContact CD2-CE2 3.97Å; F737-Y750 HydrophobicContact CD2-CE2 3.97Å; F737-Y750 HydrophobicContact CD2-CG 4.24Å; F737-Y750 AromaticContact CD2-CZ 3.39Å; F737-Y750 AromaticContact CE2-CE1 3.83Å; F737-Y750 HydrophobicContact CE2-CE1 3.83Å; F737-Y750 AromaticContact CE2-CE2 3.87Å; F737-Y750 HydrophobicContact CE2-CE2 3.87Å; F737-Y750 AromaticContact CE2-CZ 3.45Å; F737-Y750 VanDerWaalsContact CE2-CZ 3.45Å; F737-Y750 WeakPolarHBondContact CE2-OH 3.24Å; F737-Y750 HydrophobicContact CG-CD1 4.5Å; F737-Y750 HydrophobicContact CG-CE1 4.1Å; F737-L775 HydrophobicContact CE2-CD1 4.3Å; F737-L775 HydrophobicContact CZ-CD1 3.8Å; F737-L775 HydrophobicContact CZ-CD2 4.36Å; F737-L802 HydrophobicContact CB-CD2 3.75Å |
| 738 | Q | 88.8 | Confident | 70.4 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 13% | 0.126 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 134.4 | -175.6 | -30.3 | -164.9 | -49.9 | 0 | 0 | 110.5 | L672 Y673 L740 K749 | L672-Q738 CarbonylContact O-C 3.54Å; L672-Q738 WeakPolarHBondContact O-CA 3.39Å; Y673-Q738 HydrophobicContact CD2-CG 4.05Å; Q738-L740 HydrophobicContact CB-CD2 4.43Å; Q738-L740 HydrophobicContact CB-CG 4.23Å; Q738-K749 HydrophobicContact CB-CB 4.26Å; Q738-K749 HydrophobicContact CG-CG 4.49Å; Q738-K749 PolarHBondContact N-O 2.88Å; Q738-K749 PolarHBondContact O-N 2.77Å |
| 739 | I | 92.1 | Very high | 73.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 115 | 166.6 | -54.2 | 179.1 | 0 | 0 | 0 | 107.1 | I658 F660 I671 L672 F737 I746 F773 | I658-I739 HydrophobicContact CG2-CD1 4.36Å; F660-I739 HydrophobicContact CE1-CD1 3.86Å; F660-I739 HydrophobicContact CZ-CD1 4.33Å; F660-I739 HydrophobicContact CZ-CG2 4.38Å; I671-I739 HydrophobicContact CB-CB 4.41Å; I671-I739 HydrophobicContact CB-CG2 4.25Å; I671-I739 WeakPolarHBondContact CB-O 3.35Å; I671-I739 HydrophobicContact CD1-CG2 4.15Å; I671-I739 PolarHBondContact N-O 3.23Å; L672-I739 HydrophobicContact CB-CB 4.24Å; L672-I739 HydrophobicContact CB-CD1 4.44Å; L672-I739 HydrophobicContact CB-CG1 4.4Å; L672-I739 HydrophobicContact CD2-CG1 4.38Å; L672-I739 PolarHBondContact N-O 3.25Å; L672-I739 VanDerWaalsContact N-O 3.14Å; L672-I739 PolarHBondContact O-N 2.93Å; F737-I739 HydrophobicContact CE1-CD1 3.8Å; F737-I739 HydrophobicContact CE1-CG1 3.56Å; F737-I739 HydrophobicContact CZ-CD1 3.94Å; F737-I739 HydrophobicContact CZ-CG1 3.6Å; I739-I746 HydrophobicContact CG2-CG2 3.81Å; I739-F773 HydrophobicContact CD1-CE1 3.88Å; I739-F773 HydrophobicContact CD1-CZ 4.3Å |
| 740 | L | 90.1 | Very high | 75.7 | Confident | 16 Ų | 16 | 36.8 Ų | 36.8 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 146.4 | -173.7 | -58.2 | 171 | 0 | 0 | 0 | 109.2 | T670 Q738 V742 I746 H747 K749 I829 | T670-L740 HydrophobicContact CG2-CD2 4.07Å; Q738-L740 HydrophobicContact CB-CD2 4.43Å; Q738-L740 HydrophobicContact CB-CG 4.23Å; L740-V742 HydrophobicContact CB-CG2 4.17Å; L740-I746 CarbonylContact O-C 3.51Å; L740-I746 WeakPolarHBondContact O-CA 3.24Å; L740-H747 HydrophobicContact CB-CB 4.22Å; L740-H747 PolarHBondContact N-O 2.98Å; L740-H747 PolarHBondContact O-N 2.88Å; L740-K749 HydrophobicContact CD1-CB 4.45Å; L740-K749 HydrophobicContact CD1-CD 4.29Å; L740-I829 HydrophobicContact CD2-CD1 4.45Å; L740-I829 HydrophobicContact CD2-CG2 4.46Å |
| 741 | L | 87.2 | Confident | 77.9 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 127.7 | 164 | -161.8 | 71.6 | 0 | 0 | 0 | 107.9 | T664 H666 N668 G669 I671 H745 I746 | T664-L741 HydrophobicContact CG2-CD2 3.66Å; H666-L741 WeakPolarHBondContact O-CD2 3.23Å; N668-L741 CarbonylContact C-O 3.15Å; N668-L741 VanDerWaalsContact CA-O 3.27Å; N668-L741 WeakPolarHBondContact CA-O 3.16Å; G669-L741 PolarHBondContact N-O 3.27Å; G669-L741 WeakPolarHBondContact O-CB 3.13Å; G669-L741 PolarHBondContact O-N 2.87Å; I671-L741 HydrophobicContact CD1-CB 4.37Å; L741-H745 WeakPolarHBondContact CA-O 3.47Å; L741-I746 HydrophobicContact CD1-CG1 3.77Å |
| 742 | V | 83.6 | Confident | 80 | Confident | 41 Ų | 41 | 30.5 Ų | 30.5 | 25% | 0.248 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 120.6 | -175.5 | -176.1 | 0 | 0 | 0 | 0 | 109 | L667 L740 G744 H745 H747 | L667-V742 CarbonylContact O-C 3.59Å; L740-V742 HydrophobicContact CB-CG2 4.17Å; V742-G744 PolarHBondContact O-N 2.91Å; V742-H745 PolarHBondContact N-O 3Å; V742-H745 PolarHBondContact O-N 2.89Å; V742-H747 HydrophobicContact CG2-CB 4.11Å |
| 743 | N | 80.7 | Confident | 81.3 | Confident | 104 Ų | 104 | 32 Ų | 32 | 56% | 0.556 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 21.3 | -175.2 | -60.1 | -39.3 | 0 | 0 | 0 | 114.8 | L667 N668 | L667-N743 PolarHBondContact O-N 2.9Å; L667-N743 VanDerWaalsContact O-N 3.09Å; N668-N743 PolarHBondContact OD1-N 2.94Å |
| 744 | G | 77.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 10.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | L667 V742 F764 L765 S766 | L667-G744 PolarHBondContact O-N 3.05Å; V742-G744 PolarHBondContact O-N 2.91Å; G744-F764 WeakPolarHBondContact O-CA 3.49Å; G744-L765 PolarHBondContact O-N 3.25Å; G744-S766 WeakPolarHBondContact CA-OG 3.41Å |
| 745 | H | 86.6 | Confident | 82.6 | Confident | 53 Ų | 53 | 37.6 Ų | 37.6 | 25% | 0.245 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 148.5 | 170.1 | -59.2 | -37.9 | 0 | 0 | 0 | 110.2 | L741 V742 E760 V763 | L741-H745 WeakPolarHBondContact CA-O 3.47Å; V742-H745 PolarHBondContact N-O 3Å; V742-H745 PolarHBondContact O-N 2.89Å; H745-E760 IonicContact CD2-OE1 2.7Å; H745-V763 VanDerWaalsContact ND1-C 3.27Å; H745-V763 PolarHBondContact ND1-O 3.07Å |
| 746 | I | 90.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 127.6 | 171.2 | -70.3 | 176.2 | 0 | 0 | 0 | 109.3 | F662 I671 I739 L740 L741 V748 L761 L765 F773 | F662-I746 HydrophobicContact CE1-CD1 3.8Å; F662-I746 HydrophobicContact CZ-CD1 3.68Å; I671-I746 HydrophobicContact CD1-CD1 4.36Å; I671-I746 HydrophobicContact CD1-CG1 4.38Å; I739-I746 HydrophobicContact CG2-CG2 3.81Å; L740-I746 CarbonylContact O-C 3.51Å; L740-I746 WeakPolarHBondContact O-CA 3.24Å; L741-I746 HydrophobicContact CD1-CG1 3.77Å; I746-V748 HydrophobicContact CG2-CG2 4.05Å; I746-L761 HydrophobicContact CB-CD1 3.82Å; I746-L761 HydrophobicContact CG2-CD1 3.82Å; I746-L761 PolarHBondContact O-N 3.17Å; I746-L765 HydrophobicContact CB-CD1 4.29Å; I746-L765 HydrophobicContact CD1-CD1 3.81Å; I746-L765 HydrophobicContact CG1-CD1 3.76Å; I746-F773 HydrophobicContact CD1-CD2 3.8Å; I746-F773 HydrophobicContact CD1-CE2 3.98Å; I746-F773 HydrophobicContact CG2-CE2 3.98Å; I746-F773 HydrophobicContact CG2-CZ 4.49Å |
| 747 | H | 91 | Very high | 82.9 | Confident | 30 Ų | 30 | 42.2 Ų | 42.2 | 14% | 0.139 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 118.7 | 170.1 | -78.2 | -145.3 | 0 | 0 | 0 | 108.1 | L740 V742 V758 Y759 E760 | L740-H747 HydrophobicContact CB-CB 4.22Å; L740-H747 PolarHBondContact N-O 2.98Å; L740-H747 PolarHBondContact O-N 2.88Å; V742-H747 HydrophobicContact CG2-CB 4.11Å; H747-V758 HydrophobicContact CB-CG1 4.06Å; H747-Y759 WeakPolarHBondContact CA-O 3.46Å; H747-E760 IonicContact CD2-OE1 2.75Å; H747-E760 IonicContact CE1-OE1 3.01Å; H747-E760 WeakPolarHBondContact NE2-CG 3.35Å; H747-E760 IonicContact NE2-OE1 3.65Å; H747-E760 PolarHBondContact NE2-OE1 3.14Å; H747-E760 IonicContact NE2-OE2 2.66Å |
| 748 | V | 90 | Very high | 82.9 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 121.4 | 172 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | F737 I746 Y750 V758 Y759 F773 L775 I782 I784 | F737-V748 HydrophobicContact CD2-CG1 4.39Å; F737-V748 HydrophobicContact CE2-CG1 3.35Å; F737-V748 HydrophobicContact CZ-CG1 3.8Å; I746-V748 HydrophobicContact CG2-CG2 4.05Å; V748-Y750 HydrophobicContact CG1-CE2 4.25Å; V748-V758 CarbonylContact O-C 3.53Å; V748-V758 WeakPolarHBondContact O-CA 3.15Å; V748-Y759 PolarHBondContact N-O 3.29Å; V748-Y759 PolarHBondContact O-N 3.39Å; V748-F773 HydrophobicContact CG2-CZ 4.15Å; V748-L775 HydrophobicContact CG1-CD1 3.88Å; V748-L775 HydrophobicContact CG2-CD1 4.09Å; V748-I782 HydrophobicContact CB-CD1 4.41Å; V748-I782 HydrophobicContact CG1-CD1 3.88Å; V748-I784 HydrophobicContact CG2-CD1 3.79Å |
| 749 | K | 86.3 | Confident | 82.8 | Confident | 46 Ų | 46 | 46 Ų | 46 | 20% | 0.2 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 133.9 | -173.5 | 172.1 | 177.5 | 162.7 | -146.9 | 0 | 111.3 | Q738 L740 E757 V758 | Q738-K749 HydrophobicContact CB-CB 4.26Å; Q738-K749 HydrophobicContact CG-CG 4.49Å; Q738-K749 PolarHBondContact N-O 2.88Å; Q738-K749 PolarHBondContact O-N 2.77Å; L740-K749 HydrophobicContact CD1-CB 4.45Å; L740-K749 HydrophobicContact CD1-CD 4.29Å; K749-E757 WeakPolarHBondContact CA-O 3.34Å; K749-V758 HydrophobicContact CB-CG2 4.11Å; K749-V758 HydrophobicContact CD-CG2 4.22Å; K749-V758 HydrophobicContact CG-CG2 3.98Å |
| 750 | Y | 82 | Confident | 82.6 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 148.9 | 167.9 | -71.6 | -84.2 | 0 | 0 | 0 | 110.8 | L656 F737 V748 N756 E757 H777 I782 I799 | L656-Y750 HydrophobicContact CD1-CE1 3.7Å; F737-Y750 HydrophobicContact CB-CD1 4.37Å; F737-Y750 HydrophobicContact CB-CE1 4.28Å; F737-Y750 AromaticContact CD2-CD1 3.68Å; F737-Y750 HydrophobicContact CD2-CD1 3.68Å; F737-Y750 HydrophobicContact CD2-CD2 4.37Å; F737-Y750 AromaticContact CD2-CE1 3.22Å; F737-Y750 HydrophobicContact CD2-CE1 3.22Å; F737-Y750 AromaticContact CD2-CE2 3.97Å; F737-Y750 HydrophobicContact CD2-CE2 3.97Å; F737-Y750 HydrophobicContact CD2-CG 4.24Å; F737-Y750 AromaticContact CD2-CZ 3.39Å; F737-Y750 AromaticContact CE2-CE1 3.83Å; F737-Y750 HydrophobicContact CE2-CE1 3.83Å; F737-Y750 AromaticContact CE2-CE2 3.87Å; F737-Y750 HydrophobicContact CE2-CE2 3.87Å; F737-Y750 AromaticContact CE2-CZ 3.45Å; F737-Y750 VanDerWaalsContact CE2-CZ 3.45Å; F737-Y750 WeakPolarHBondContact CE2-OH 3.24Å; F737-Y750 HydrophobicContact CG-CD1 4.5Å; F737-Y750 HydrophobicContact CG-CE1 4.1Å; V748-Y750 HydrophobicContact CG1-CE2 4.25Å; Y750-N756 VanDerWaalsContact O-CA 3.22Å; Y750-N756 WeakPolarHBondContact O-CA 3.42Å; Y750-N756 WeakPolarHBondContact O-CB 3.47Å; Y750-E757 PolarHBondContact N-O 2.86Å; Y750-E757 PolarHBondContact O-N 3.1Å; Y750-E757 VanDerWaalsContact O-N 3.1Å; Y750-H777 AromaticContact CZ-CD2 3.95Å; Y750-H777 WeakPolarHBondContact OH-CB 3.4Å; Y750-H777 PolarHBondContact OH-CD2 3.12Å; Y750-I782 HydrophobicContact CE2-CD1 4.26Å; Y750-I799 HydrophobicContact CD1-CD1 3.19Å; Y750-I799 HydrophobicContact CD2-CD1 4.35Å; Y750-I799 HydrophobicContact CE1-CD1 3.16Å; Y750-I799 HydrophobicContact CE2-CD1 4.35Å; Y750-I799 HydrophobicContact CG-CD1 3.81Å |
| 751 | I | 78.5 | Confident | 82.5 | Confident | 15 Ų | 15 | 50 Ų | 50 | 8% | 0.077 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 123.1 | 162 | -53.3 | -177.2 | 0 | 0 | 0 | 106.3 | D735 S736 K755 N756 | D735-I751 CarbonylContact C-O 3.59Å; D735-I751 VanDerWaalsContact CA-O 3.27Å; D735-I751 WeakPolarHBondContact CA-O 3.34Å; S736-I751 PolarHBondContact N-O 2.88Å; S736-I751 PolarHBondContact O-N 2.85Å; I751-K755 CarbonylContact C-O 3.59Å; I751-K755 WeakPolarHBondContact CA-O 3.47Å; I751-N756 HydrophobicContact CG1-CB 4.28Å |
| 752 | V | 75 | Confident | 82.5 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 132.7 | 175.1 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | D735 N754 K755 L797 I799 L802 | D735-V752 VanDerWaalsContact OD1-CA 3.27Å; D735-V752 WeakPolarHBondContact OD1-CA 3.39Å; V752-N754 VanDerWaalsContact C-N 3.33Å; V752-N754 PolarHBondContact O-N 2.9Å; V752-K755 PolarHBondContact N-O 2.8Å; V752-K755 WeakPolarHBondContact O-CB 3.47Å; V752-K755 PolarHBondContact O-N 3.01Å; V752-L797 HydrophobicContact CB-CD1 4.42Å; V752-I799 HydrophobicContact CG2-CD1 4.49Å; V752-I799 HydrophobicContact CG2-CG1 4.32Å; V752-L802 HydrophobicContact CG2-CD1 4.34Å |
| 753 | D | 70.7 | Confident | 82.5 | Confident | 132 Ų | 132 | 54.1 Ų | 54.1 | 71% | 0.706 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 47.1 | 177.8 | -73.1 | -39.2 | 0 | 0 | 0 | 112.9 | D735 K755 | D735-D753 PolarHBondContact OD1-N 2.74Å; D753-K755 PolarHBondContact O-N 2.84Å |
| 754 | N | 69.8 | Low | 82.7 | Confident | 114 Ų | 114 | 54.1 Ų | 54.1 | 61% | 0.61 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 4.3 | -174 | -64 | -11.3 | 0 | 0 | 0 | 116.1 | N733 V752 | N733-N754 WeakPolarHBondContact CB-OD1 3.49Å; V752-N754 VanDerWaalsContact C-N 3.33Å; V752-N754 PolarHBondContact O-N 2.9Å |
| 755 | K | 72.4 | Confident | 83.1 | Confident | 135 Ų | 135 | 54.1 Ų | 54.1 | 59% | 0.587 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 146.6 | 173.3 | -64.5 | 168.7 | -172.5 | 164.7 | 0 | 109.3 | I751 V752 D753 L797 | I751-K755 CarbonylContact C-O 3.59Å; I751-K755 WeakPolarHBondContact CA-O 3.47Å; V752-K755 PolarHBondContact N-O 2.8Å; V752-K755 WeakPolarHBondContact O-CB 3.47Å; V752-K755 PolarHBondContact O-N 3.01Å; D753-K755 PolarHBondContact O-N 2.84Å; K755-L797 HydrophobicContact CB-CD1 4.18Å; K755-L797 HydrophobicContact CB-CD2 3.75Å; K755-L797 HydrophobicContact CD-CD2 3.77Å; K755-L797 HydrophobicContact CG-CD2 4.42Å |
| 756 | N | 80 | Confident | 82.9 | Confident | 113 Ų | 113 | 52 Ų | 52 | 60% | 0.604 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 151 | 172.8 | 58.2 | 33.8 | 0 | 0 | 0 | 111.2 | Y750 I751 | Y750-N756 VanDerWaalsContact O-CA 3.22Å; Y750-N756 WeakPolarHBondContact O-CA 3.42Å; Y750-N756 WeakPolarHBondContact O-CB 3.47Å; I751-N756 HydrophobicContact CG1-CB 4.28Å |
| 757 | E | 82.3 | Confident | 82.3 | Confident | 31 Ų | 31 | 55 Ų | 55 | 15% | 0.145 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 136.4 | 176.6 | -166.1 | 164.7 | -158.4 | 0 | 0 | 107.9 | K749 Y750 T795 N796 L797 | K749-E757 WeakPolarHBondContact CA-O 3.34Å; Y750-E757 PolarHBondContact N-O 2.86Å; Y750-E757 PolarHBondContact O-N 3.1Å; Y750-E757 VanDerWaalsContact O-N 3.1Å; E757-T795 WeakPolarHBondContact OE2-CB 3.25Å; E757-N796 VanDerWaalsContact CD-N 3.32Å; E757-N796 WeakPolarHBondContact OE1-CB 3.44Å; E757-N796 PolarHBondContact OE1-N 2.74Å; E757-N796 PolarHBondContact OE1-ND2 3.48Å; E757-N796 PolarHBondContact OE2-N 3.42Å; E757-L797 HydrophobicContact CB-CD1 3.96Å; E757-L797 HydrophobicContact CB-CG 4.37Å; E757-L797 PolarHBondContact OE2-N 2.77Å |
| 758 | V | 85.1 | Confident | 81.5 | Confident | 75 Ų | 75 | 54.6 Ų | 54.6 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.5 | -176.1 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | H747 V748 K749 | H747-V758 HydrophobicContact CB-CG1 4.06Å; V748-V758 CarbonylContact O-C 3.53Å; V748-V758 WeakPolarHBondContact O-CA 3.15Å; K749-V758 HydrophobicContact CB-CG2 4.11Å; K749-V758 HydrophobicContact CD-CG2 4.22Å; K749-V758 HydrophobicContact CG-CG2 3.98Å |
| 759 | Y | 87.9 | Confident | 81.1 | Confident | 31 Ų | 31 | 60.4 Ų | 60.4 | 12% | 0.122 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 110.9 | 176.5 | -174.2 | -129.6 | 0 | 0 | 0 | 109.7 | H747 V748 I782 I784 F791 Q793 | H747-Y759 WeakPolarHBondContact CA-O 3.46Å; V748-Y759 PolarHBondContact N-O 3.29Å; V748-Y759 PolarHBondContact O-N 3.39Å; Y759-I782 HydrophobicContact CD1-CD1 4.15Å; Y759-I782 HydrophobicContact CD1-CG2 3.88Å; Y759-I782 HydrophobicContact CE1-CG2 3.93Å; Y759-I782 HydrophobicContact CG-CG2 4.37Å; Y759-I784 HydrophobicContact CD1-CD1 3.8Å; Y759-I784 HydrophobicContact CE1-CD1 3.87Å; Y759-I784 HydrophobicContact CE1-CG1 4.39Å; Y759-F791 WeakPolarHBondContact OH-CB 3.33Å; Y759-Q793 HydrophobicContact CD2-CB 4.3Å; Y759-Q793 HydrophobicContact CE2-CB 3.66Å; Y759-Q793 HydrophobicContact CE2-CG 4.21Å |
| 760 | E | 87.6 | Confident | 81.1 | Confident | 102 Ų | 102 | 61.3 Ų | 61.3 | 48% | 0.477 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 127.5 | 178.9 | 174.6 | 164.6 | -135.6 | 0 | 0 | 110.7 | H745 H747 | H745-E760 IonicContact CD2-OE1 2.7Å; H747-E760 IonicContact CD2-OE1 2.75Å; H747-E760 IonicContact CE1-OE1 3.01Å; H747-E760 WeakPolarHBondContact NE2-CG 3.35Å; H747-E760 IonicContact NE2-OE1 3.65Å; H747-E760 PolarHBondContact NE2-OE1 3.14Å; H747-E760 IonicContact NE2-OE2 2.66Å |
| 761 | L | 88.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -87.2 | 123.7 | 175.3 | -76.6 | 154.2 | 0 | 0 | 0 | 110.3 | I746 V763 F773 I784 F791 | I746-L761 HydrophobicContact CB-CD1 3.82Å; I746-L761 HydrophobicContact CG2-CD1 3.82Å; I746-L761 PolarHBondContact O-N 3.17Å; L761-V763 PolarHBondContact O-N 3Å; L761-F773 HydrophobicContact CD1-CE2 3.85Å; L761-I784 HydrophobicContact CD1-CD1 3.89Å; L761-I784 HydrophobicContact CD1-CG2 4.14Å; L761-I784 HydrophobicContact CD2-CB 4.35Å; L761-I784 HydrophobicContact CD2-CD1 4.3Å; L761-I784 HydrophobicContact CD2-CG2 4.3Å; L761-I784 HydrophobicContact CG-CD1 4.34Å; L761-F791 HydrophobicContact CD2-CB 3.91Å; L761-F791 HydrophobicContact CD2-CD1 4.39Å; L761-F791 HydrophobicContact CD2-CD2 3.45Å; L761-F791 VanDerWaalsContact CD2-CD2 3.45Å; L761-F791 HydrophobicContact CD2-CE2 4.04Å; L761-F791 HydrophobicContact CD2-CG 3.66Å | ||
| 762 | P | 85.7 | Confident | 82 | Confident | 96 Ų | 96 | 61.7 Ų | 61.7 | 62% | 0.623 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -80.8 | 46.4 | -172.4 | 35.2 | -38.6 | 0 | 0 | 0 | 112.8 | F791 | P762-F791 HydrophobicContact CG-CD1 4.37Å; P762-F791 HydrophobicContact CG-CE1 3.74Å; P762-F791 HydrophobicContact CG-CZ 4.39Å |
| 763 | V | 85.1 | Confident | 82.9 | Confident | 34 Ų | 34 | 60.9 Ų | 60.9 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -136.2 | 130.8 | -176 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | H745 L761 L765 L786 F791 | H745-V763 VanDerWaalsContact ND1-C 3.27Å; H745-V763 PolarHBondContact ND1-O 3.07Å; L761-V763 PolarHBondContact O-N 3Å; V763-L765 HydrophobicContact CB-CG 4.46Å; V763-L765 HydrophobicContact CG1-CD2 3.91Å; V763-L765 HydrophobicContact CG1-CG 4.13Å; V763-L786 HydrophobicContact CB-CD2 3.77Å; V763-L786 HydrophobicContact CG1-CD2 4.03Å; V763-L786 HydrophobicContact CG2-CD2 3.82Å; V763-F791 HydrophobicContact CG2-CE2 4.11Å; V763-F791 HydrophobicContact CG2-CZ 3.65Å |
| 764 | F | 84.9 | Confident | 83.8 | Confident | 104 Ų | 104 | 55.6 Ų | 55.6 | 46% | 0.456 | 28% | 0.282 | S | S | . | . | trans | -83.1 | 126.7 | 175.1 | -171.6 | -91.2 | 0 | 0 | 0 | 110.6 | L667 G744 D767 | L667-F764 HydrophobicContact CD2-CE2 3.66Å; L667-F764 HydrophobicContact CD2-CZ 3.69Å; G744-F764 WeakPolarHBondContact O-CA 3.49Å; F764-D767 HydrophobicContact CE1-CB 4.45Å | ||
| 765 | L | 84.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -130 | 1.7 | -165.3 | -64.8 | 161.9 | 0 | 0 | 0 | 113.5 | F662 G744 I746 V763 D767 H771 L786 | F662-L765 HydrophobicContact CE2-CB 4.14Å; F662-L765 HydrophobicContact CZ-CB 3.99Å; F662-L765 HydrophobicContact CZ-CD1 4.16Å; F662-L765 HydrophobicContact CZ-CD2 4.25Å; F662-L765 HydrophobicContact CZ-CG 4.35Å; G744-L765 PolarHBondContact O-N 3.25Å; I746-L765 HydrophobicContact CB-CD1 4.29Å; I746-L765 HydrophobicContact CD1-CD1 3.81Å; I746-L765 HydrophobicContact CG1-CD1 3.76Å; V763-L765 HydrophobicContact CB-CG 4.46Å; V763-L765 HydrophobicContact CG1-CD2 3.91Å; V763-L765 HydrophobicContact CG1-CG 4.13Å; L765-D767 VanDerWaalsContact C-N 3.29Å; L765-D767 PolarHBondContact O-N 2.83Å; L765-H771 HydrophobicContact CD2-CB 4.28Å; L765-L786 HydrophobicContact CD1-CD1 4.07Å; L765-L786 HydrophobicContact CD1-CD2 4.04Å; L765-L786 HydrophobicContact CD2-CD1 4.05Å; L765-L786 HydrophobicContact CD2-CD2 4.17Å; L765-L786 HydrophobicContact CD2-CG 4.39Å | ||
| 766 | S | 81.8 | Confident | 85 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | trans | -93.6 | 40.9 | 176.6 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | T664 H666 G744 | T664-S766 CarbonylContact O-C 3.58Å; T664-S766 VanDerWaalsContact O-C 3.27Å; T664-S766 WeakPolarHBondContact O-CA 3.38Å; H666-S766 WeakPolarHBondContact O-CB 3.25Å; H666-S766 PolarHBondContact O-OG 2.84Å; G744-S766 WeakPolarHBondContact CA-OG 3.41Å | ||
| 767 | D | 78.7 | Confident | 84.9 | Confident | 61 Ų | 61 | 40.5 Ų | 40.5 | 33% | 0.326 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -98.7 | 1.9 | -172.8 | 84.8 | -11.3 | 0 | 0 | 0 | 114.5 | T664 F764 L765 K769 H771 | T664-D767 PolarHBondContact O-N 2.85Å; F764-D767 HydrophobicContact CE1-CB 4.45Å; L765-D767 VanDerWaalsContact C-N 3.29Å; L765-D767 PolarHBondContact O-N 2.83Å; D767-K769 VanDerWaalsContact OD1-CB 3.24Å; D767-K769 WeakPolarHBondContact OD1-CB 3.29Å; D767-K769 WeakPolarHBondContact OD1-CG 3.36Å; D767-K769 PolarHBondContact OD1-N 3.44Å; D767-K769 IonicContact OD2-NZ 3.69Å; D767-K769 PolarHBondContact OD2-NZ 3.29Å; D767-H771 IonicContact OD1-NE2 3.81Å; D767-H771 PolarHBondContact OD1-NE2 2.78Å |
| 768 | G | 73.6 | Confident | 84.4 | Confident | 23 Ų | 23 | 41.1 Ų | 41.1 | 24% | 0.237 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 82.8 | 1.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q663 T664 N665 | Q663-G768 VanDerWaalsContact CG-O 3.31Å; Q663-G768 WeakPolarHBondContact CG-O 3.43Å; T664-G768 WeakPolarHBondContact O-CA 3.38Å; T664-G768 PolarHBondContact O-N 2.82Å; N665-G768 VanDerWaalsContact OD1-CA 3.29Å; N665-G768 WeakPolarHBondContact OD1-CA 3.47Å |
| 769 | K | 82.2 | Confident | 83.5 | Confident | 122 Ų | 122 | 41 Ų | 41 | 53% | 0.53 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -92.6 | 172.4 | 176 | -55.8 | -168.3 | -162.9 | 83.7 | 0 | 112.2 | Q663 D767 | Q663-K769 VanDerWaalsContact CA-O 3.23Å; Q663-K769 WeakPolarHBondContact CA-O 3.44Å; Q663-K769 WeakPolarHBondContact CB-O 3.3Å; Q663-K769 WeakPolarHBondContact CG-O 3.27Å; D767-K769 VanDerWaalsContact OD1-CB 3.24Å; D767-K769 WeakPolarHBondContact OD1-CB 3.29Å; D767-K769 WeakPolarHBondContact OD1-CG 3.36Å; D767-K769 PolarHBondContact OD1-N 3.44Å; D767-K769 IonicContact OD2-NZ 3.69Å; D767-K769 PolarHBondContact OD2-NZ 3.29Å |
| 770 | W | 86.2 | Confident | 82.7 | Confident | 65 Ų | 65 | 40.5 Ų | 40.5 | 25% | 0.246 | 21% | 0.21 | C | C | . | . | trans | -85.4 | 129.2 | 171.8 | -76.9 | 89.8 | 0 | 0 | 0 | 110.9 | I634 M661 F662 Q663 D835 A837 | I634-W770 HydrophobicContact CD1-CZ2 4.25Å; I634-W770 HydrophobicContact CG2-CH2 4.02Å; I634-W770 HydrophobicContact CG2-CZ2 4.24Å; M661-W770 HydrophobicContact CB-CE3 3.88Å; M661-W770 HydrophobicContact CB-CZ3 4.05Å; M661-W770 HydrophobicContact CE-CB 4.18Å; M661-W770 HydrophobicContact CE-CD2 4.5Å; M661-W770 HydrophobicContact CE-CE3 4.17Å; F662-W770 WeakPolarHBondContact O-CA 3.44Å; Q663-W770 HydrophobicContact CB-CD2 3.59Å; Q663-W770 HydrophobicContact CB-CE3 3.89Å; Q663-W770 HydrophobicContact CB-CG 3.97Å; Q663-W770 HydrophobicContact CB-CH2 4.25Å; Q663-W770 HydrophobicContact CB-CZ2 3.94Å; Q663-W770 HydrophobicContact CB-CZ3 4.22Å; Q663-W770 HydrophobicContact CG-CD2 4.31Å; Q663-W770 HydrophobicContact CG-CG 4.31Å; W770-D835 HydrophobicContact CH2-CB 3.54Å; W770-D835 HydrophobicContact CZ2-CB 3.67Å; W770-A837 HydrophobicContact CH2-CB 4.05Å; W770-A837 HydrophobicContact CZ3-CB 3.91Å | ||
| 771 | H | 90.3 | Very high | 82.3 | Confident | 16 Ų | 16 | 41.3 Ų | 41.3 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 146.2 | 173.4 | -66.5 | -73.9 | 0 | 0 | 0 | 110.7 | M661 F662 L765 D767 D787 | M661-H771 CarbonylContact C-O 3.55Å; M661-H771 WeakPolarHBondContact CA-O 3.43Å; F662-H771 HydrophobicContact CD1-CB 4.19Å; F662-H771 HydrophobicContact CE1-CB 3.61Å; F662-H771 HydrophobicContact CE2-CB 4.33Å; F662-H771 HydrophobicContact CZ-CB 3.69Å; F662-H771 PolarHBondContact N-O 2.82Å; F662-H771 PolarHBondContact O-N 2.84Å; L765-H771 HydrophobicContact CD2-CB 4.28Å; D767-H771 IonicContact OD1-NE2 3.81Å; D767-H771 PolarHBondContact OD1-NE2 2.78Å; H771-D787 VanDerWaalsContact CA-OD1 3.25Å; H771-D787 WeakPolarHBondContact CA-OD1 3.33Å; H771-D787 IonicContact CE1-OD2 2.7Å; H771-D787 IonicContact CG-OD2 3.81Å; H771-D787 IonicContact ND1-OD1 3.54Å; H771-D787 IonicContact ND1-OD2 3.72Å; H771-D787 PolarHBondContact ND1-OD2 2.95Å |
| 772 | H | 90.2 | Very high | 82.1 | Confident | 15 Ų | 15 | 41.5 Ų | 41.5 | 7% | 0.069 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127.7 | 172.8 | 172.8 | -77.6 | 0 | 0 | 0 | 110.5 | M661 L786 D787 | M661-H772 HydrophobicContact CG-CB 4.38Å; H772-L786 WeakPolarHBondContact O-CA 3.16Å; H772-D787 PolarHBondContact N-OD1 2.87Å; H772-D787 PolarHBondContact O-N 2.82Å |
| 773 | F | 92.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 119.5 | 177.8 | -176 | -85.1 | 0 | 0 | 0 | 109.9 | V659 F660 F662 I739 I746 V748 L761 L775 I784 L786 | V659-F773 CarbonylContact C-O 3.55Å; V659-F773 VanDerWaalsContact CA-O 3.3Å; V659-F773 WeakPolarHBondContact CA-O 3.49Å; F660-F773 HydrophobicContact CD1-CD1 4.08Å; F660-F773 HydrophobicContact CD2-CB 4.37Å; F660-F773 HydrophobicContact CE1-CB 4.36Å; F660-F773 AromaticContact CE1-CD1 3.36Å; F660-F773 HydrophobicContact CE1-CD1 3.36Å; F660-F773 AromaticContact CE1-CE1 3.84Å; F660-F773 HydrophobicContact CE1-CE1 3.84Å; F660-F773 HydrophobicContact CE1-CG 4.07Å; F660-F773 HydrophobicContact CE2-CB 4.04Å; F660-F773 HydrophobicContact CE2-CD1 4.4Å; F660-F773 HydrophobicContact CE2-CG 4.3Å; F660-F773 HydrophobicContact CZ-CB 4.03Å; F660-F773 AromaticContact CZ-CD1 3.56Å; F660-F773 HydrophobicContact CZ-CD1 3.56Å; F660-F773 HydrophobicContact CZ-CE1 4.09Å; F660-F773 AromaticContact CZ-CG 3.8Å; F660-F773 HydrophobicContact CZ-CG 3.8Å; F660-F773 PolarHBondContact N-O 2.87Å; F660-F773 PolarHBondContact O-N 2.88Å; F662-F773 HydrophobicContact CD1-CB 4.47Å; F662-F773 HydrophobicContact CE1-CB 4.28Å; I739-F773 HydrophobicContact CD1-CE1 3.88Å; I739-F773 HydrophobicContact CD1-CZ 4.3Å; I746-F773 HydrophobicContact CD1-CD2 3.8Å; I746-F773 HydrophobicContact CD1-CE2 3.98Å; I746-F773 HydrophobicContact CG2-CE2 3.98Å; I746-F773 HydrophobicContact CG2-CZ 4.49Å; V748-F773 HydrophobicContact CG2-CZ 4.15Å; L761-F773 HydrophobicContact CD1-CE2 3.85Å; F773-L775 HydrophobicContact CD1-CB 4.39Å; F773-L775 HydrophobicContact CE1-CB 3.55Å; F773-L775 HydrophobicContact CE1-CD1 4.15Å; F773-L775 HydrophobicContact CZ-CB 4.02Å; F773-L775 HydrophobicContact CZ-CD1 4.02Å; F773-I784 HydrophobicContact CD2-CG2 4.01Å; F773-I784 HydrophobicContact CE2-CD1 4.43Å; F773-I784 HydrophobicContact CE2-CG2 3.58Å; F773-I784 HydrophobicContact CZ-CD1 4.25Å; F773-I784 HydrophobicContact CZ-CG2 3.95Å; F773-L786 HydrophobicContact CD2-CD1 4.12Å |
| 774 | E | 89.4 | Confident | 82.3 | Confident | 20 Ų | 20 | 36.9 Ų | 36.9 | 9% | 0.093 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 120.1 | 167.9 | 166.2 | 169.2 | -139.9 | 0 | 0 | 109 | K533 W657 I658 V659 I776 I784 H785 | K533-E774 IonicContact NZ-OE1 3.22Å; K533-E774 PolarHBondContact NZ-OE1 2.88Å; W657-E774 PolarHBondContact NE1-OE1 3.49Å; I658-E774 CarbonylContact O-C 3.46Å; I658-E774 WeakPolarHBondContact O-CA 3.37Å; V659-E774 HydrophobicContact CG2-CB 3.82Å; V659-E774 HydrophobicContact CG2-CG 3.75Å; E774-I776 HydrophobicContact CG-CG1 4.44Å; E774-I784 CarbonylContact O-C 3.59Å; E774-I784 WeakPolarHBondContact O-CA 3.43Å; E774-H785 HydrophobicContact CB-CB 4.2Å; E774-H785 PolarHBondContact N-O 2.94Å; E774-H785 PolarHBondContact O-N 2.91Å |
| 775 | L | 88.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.7 | 177.4 | 172.5 | 155.1 | 0 | 0 | 0 | 109.8 | L656 W657 I658 F737 V748 F773 H777 I782 I784 | L656-L775 HydrophobicContact CB-CD2 4.36Å; W657-L775 VanDerWaalsContact CA-O 3.31Å; W657-L775 WeakPolarHBondContact CA-O 3.22Å; I658-L775 HydrophobicContact CD1-CD2 4.46Å; I658-L775 PolarHBondContact N-O 2.73Å; I658-L775 PolarHBondContact O-N 2.77Å; F737-L775 HydrophobicContact CE2-CD1 4.3Å; F737-L775 HydrophobicContact CZ-CD1 3.8Å; F737-L775 HydrophobicContact CZ-CD2 4.36Å; V748-L775 HydrophobicContact CG1-CD1 3.88Å; V748-L775 HydrophobicContact CG2-CD1 4.09Å; F773-L775 HydrophobicContact CD1-CB 4.39Å; F773-L775 HydrophobicContact CE1-CB 3.55Å; F773-L775 HydrophobicContact CE1-CD1 4.15Å; F773-L775 HydrophobicContact CZ-CB 4.02Å; F773-L775 HydrophobicContact CZ-CD1 4.02Å; L775-H777 HydrophobicContact CD2-CB 4.39Å; L775-I782 HydrophobicContact CD1-CD1 3.93Å; L775-I782 HydrophobicContact CD1-CG1 4.44Å; L775-I782 HydrophobicContact CG-CD1 4.4Å; L775-I782 HydrophobicContact CG-CG1 4.38Å; L775-I784 HydrophobicContact CB-CG1 4.35Å; L775-I784 HydrophobicContact CD1-CD1 4.11Å; L775-I784 HydrophobicContact CD1-CG1 4.25Å; L775-I784 HydrophobicContact CG-CG1 4.25Å |
| 776 | I | 80.2 | Confident | 82.6 | Confident | 46 Ų | 46 | 34.2 Ų | 34.2 | 24% | 0.236 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 108.9 | 174.8 | -59 | 166 | 0 | 0 | 0 | 107.4 | L656 E774 T783 | L656-I776 CarbonylContact O-C 3.59Å; L656-I776 WeakPolarHBondContact O-CA 3.38Å; E774-I776 HydrophobicContact CG-CG1 4.44Å; I776-T783 PolarHBondContact N-O 2.91Å; I776-T783 PolarHBondContact O-N 3.34Å |
| 777 | H | 77.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 134.4 | 168.4 | -173.2 | -89.5 | 0 | 0 | 0 | 110.2 | L655 L656 Y750 L775 Y781 | L655-H777 VanDerWaalsContact CA-O 3.3Å; L655-H777 WeakPolarHBondContact CA-O 3.34Å; L655-H777 WeakPolarHBondContact CD2-O 3.48Å; L655-H777 WeakPolarHBondContact CG-O 3.36Å; L656-H777 HydrophobicContact CB-CB 4.1Å; L656-H777 HydrophobicContact CD1-CB 4.49Å; L656-H777 PolarHBondContact N-O 2.98Å; L656-H777 VanDerWaalsContact N-O 3.07Å; L656-H777 PolarHBondContact O-N 2.88Å; Y750-H777 AromaticContact CZ-CD2 3.95Å; Y750-H777 WeakPolarHBondContact OH-CB 3.4Å; Y750-H777 PolarHBondContact OH-CD2 3.12Å; L775-H777 HydrophobicContact CD2-CB 4.39Å; H777-Y781 CarbonylContact C-O 3.58Å; H777-Y781 WeakPolarHBondContact CA-O 3.45Å |
| 778 | N | 70.7 | Confident | 82.9 | Confident | 44 Ų | 44 | 41.8 Ų | 41.8 | 24% | 0.235 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 99.4 | -179.8 | -169.5 | -23.1 | 0 | 0 | 0 | 109.9 | Q528 L655 S780 Y781 | Q528-N778 PolarHBondContact NE2-OD1 2.92Å; Q528-N778 PolarHBondContact OE1-ND2 3.16Å; Q528-N778 VanDerWaalsContact OE1-ND2 3.08Å; L655-N778 HydrophobicContact CG-CB 4.4Å; N778-S780 PolarHBondContact O-N 2.83Å; N778-Y781 PolarHBondContact N-O 2.99Å; N778-Y781 PolarHBondContact O-N 2.95Å; N778-Y781 VanDerWaalsContact O-N 3.09Å |
| 779 | N | 66.5 | Low | 83.3 | Confident | 71 Ų | 71 | 44.9 Ų | 44.9 | 38% | 0.38 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | -63 | 179.4 | -61.5 | 6.7 | 0 | 0 | 0 | 116.6 | S654 T798 I799 | S654-N779 VanDerWaalsContact CB-OD1 3.22Å; S654-N779 WeakPolarHBondContact CB-OD1 3.48Å; S654-N779 PolarHBondContact O-N 2.86Å; S654-N779 VanDerWaalsContact O-N 3.07Å; S654-N779 PolarHBondContact OG-OD1 3.49Å; N779-T798 CarbonylContact O-C 3.58Å; N779-T798 WeakPolarHBondContact O-CA 3.38Å; N779-I799 PolarHBondContact O-N 2.74Å |
| 780 | S | 72.5 | Confident | 83.6 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 15% | 0.154 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.1 | 15.9 | 178.3 | 60.5 | 0 | 0 | 0 | 0 | 114.1 | N778 R794 T795 | N778-S780 PolarHBondContact O-N 2.83Å; S780-R794 CarbonylContact O-C 3.51Å; S780-R794 VanDerWaalsContact O-CA 3.29Å; S780-R794 WeakPolarHBondContact O-CA 3.46Å; S780-R794 WeakPolarHBondContact O-CG 3.03Å; S780-T795 VanDerWaalsContact CA-OG1 3.27Å; S780-T795 WeakPolarHBondContact CA-OG1 3.27Å; S780-T795 PolarHBondContact O-N 2.97Å; S780-T795 PolarHBondContact O-OG1 2.9Å |
| 781 | Y | 78.4 | Confident | 83.7 | Confident | 119 Ų | 119 | 42.1 Ų | 42.1 | 47% | 0.467 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 131.4 | 174 | -88.2 | -91.8 | 0 | 0 | 0 | 110 | H777 N778 Q793 R794 | H777-Y781 CarbonylContact C-O 3.58Å; H777-Y781 WeakPolarHBondContact CA-O 3.45Å; N778-Y781 PolarHBondContact N-O 2.99Å; N778-Y781 PolarHBondContact O-N 2.95Å; N778-Y781 VanDerWaalsContact O-N 3.09Å; Y781-Q793 WeakPolarHBondContact CA-O 3.35Å; Y781-R794 HydrophobicContact CD1-CB 4.26Å; Y781-R794 HydrophobicContact CD2-CG 4.14Å; Y781-R794 HydrophobicContact CE1-CB 3.86Å; Y781-R794 HydrophobicContact CE1-CG 4.31Å; Y781-R794 HydrophobicContact CE2-CB 4.23Å; Y781-R794 HydrophobicContact CE2-CG 3.76Å |
| 782 | I | 84.4 | Confident | 83.4 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 136.5 | 167 | -162 | 174.2 | 0 | 0 | 0 | 109.1 | V748 Y750 Y759 L775 I784 S792 Q793 | V748-I782 HydrophobicContact CB-CD1 4.41Å; V748-I782 HydrophobicContact CG1-CD1 3.88Å; Y750-I782 HydrophobicContact CE2-CD1 4.26Å; Y759-I782 HydrophobicContact CD1-CD1 4.15Å; Y759-I782 HydrophobicContact CD1-CG2 3.88Å; Y759-I782 HydrophobicContact CE1-CG2 3.93Å; Y759-I782 HydrophobicContact CG-CG2 4.37Å; L775-I782 HydrophobicContact CD1-CD1 3.93Å; L775-I782 HydrophobicContact CD1-CG1 4.44Å; L775-I782 HydrophobicContact CG-CD1 4.4Å; L775-I782 HydrophobicContact CG-CG1 4.38Å; I782-I784 HydrophobicContact CD1-CD1 3.99Å; I782-I784 HydrophobicContact CD1-CG1 4.28Å; I782-I784 HydrophobicContact CG1-CD1 4.42Å; I782-I784 HydrophobicContact CG1-CG1 4.16Å; I782-S792 CarbonylContact O-C 3.54Å; I782-S792 VanDerWaalsContact O-CA 3.26Å; I782-S792 WeakPolarHBondContact O-CA 3.32Å; I782-S792 PolarHBondContact O-OG 3.37Å; I782-Q793 HydrophobicContact CG2-CB 4.15Å; I782-Q793 PolarHBondContact N-O 2.84Å; I782-Q793 PolarHBondContact O-N 3.23Å |
| 783 | T | 85.3 | Confident | 83.1 | Confident | 34 Ų | 34 | 48.4 Ų | 48.4 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 132.4 | 170.9 | -58.5 | 0 | 0 | 0 | 0 | 108.4 | I776 V790 F791 S792 | I776-T783 PolarHBondContact N-O 2.91Å; I776-T783 PolarHBondContact O-N 3.34Å; T783-V790 HydrophobicContact CG2-CG1 3.85Å; T783-F791 CarbonylContact C-O 3.54Å; T783-F791 VanDerWaalsContact CA-O 3.32Å; T783-F791 WeakPolarHBondContact CA-O 3.4Å; T783-S792 PolarHBondContact OG1-OG 3.04Å |
| 784 | I | 89.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 121.1 | -178.2 | -54.6 | -178.5 | 0 | 0 | 0 | 108.8 | V748 Y759 L761 F773 E774 L775 I782 V790 F791 | V748-I784 HydrophobicContact CG2-CD1 3.79Å; Y759-I784 HydrophobicContact CD1-CD1 3.8Å; Y759-I784 HydrophobicContact CE1-CD1 3.87Å; Y759-I784 HydrophobicContact CE1-CG1 4.39Å; L761-I784 HydrophobicContact CD1-CD1 3.89Å; L761-I784 HydrophobicContact CD1-CG2 4.14Å; L761-I784 HydrophobicContact CD2-CB 4.35Å; L761-I784 HydrophobicContact CD2-CD1 4.3Å; L761-I784 HydrophobicContact CD2-CG2 4.3Å; L761-I784 HydrophobicContact CG-CD1 4.34Å; F773-I784 HydrophobicContact CD2-CG2 4.01Å; F773-I784 HydrophobicContact CE2-CD1 4.43Å; F773-I784 HydrophobicContact CE2-CG2 3.58Å; F773-I784 HydrophobicContact CZ-CD1 4.25Å; F773-I784 HydrophobicContact CZ-CG2 3.95Å; E774-I784 CarbonylContact O-C 3.59Å; E774-I784 WeakPolarHBondContact O-CA 3.43Å; L775-I784 HydrophobicContact CB-CG1 4.35Å; L775-I784 HydrophobicContact CD1-CD1 4.11Å; L775-I784 HydrophobicContact CD1-CG1 4.25Å; L775-I784 HydrophobicContact CG-CG1 4.25Å; I782-I784 HydrophobicContact CD1-CD1 3.99Å; I782-I784 HydrophobicContact CD1-CG1 4.28Å; I782-I784 HydrophobicContact CG1-CD1 4.42Å; I782-I784 HydrophobicContact CG1-CG1 4.16Å; I784-V790 WeakPolarHBondContact O-CA 3.36Å; I784-F791 PolarHBondContact N-O 3.05Å; I784-F791 PolarHBondContact O-N 3.35Å |
| 785 | H | 87.4 | Confident | 81.7 | Confident | 47 Ų | 47 | 55.7 Ų | 55.7 | 22% | 0.218 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 114.5 | 170.1 | -60.7 | -100.7 | 0 | 0 | 0 | 108.1 | E774 N789 V790 | E774-H785 HydrophobicContact CB-CB 4.2Å; E774-H785 PolarHBondContact N-O 2.94Å; E774-H785 PolarHBondContact O-N 2.91Å; H785-N789 WeakPolarHBondContact CA-O 3.46Å; H785-V790 WeakPolarHBondContact ND1-CG2 3.2Å |
| 786 | L | 89.5 | Confident | 80.8 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 106.7 | -177.2 | -177.4 | 72 | 0 | 0 | 0 | 108.5 | V763 L765 H772 F773 R788 N789 F791 | V763-L786 HydrophobicContact CB-CD2 3.77Å; V763-L786 HydrophobicContact CG1-CD2 4.03Å; V763-L786 HydrophobicContact CG2-CD2 3.82Å; L765-L786 HydrophobicContact CD1-CD1 4.07Å; L765-L786 HydrophobicContact CD1-CD2 4.04Å; L765-L786 HydrophobicContact CD2-CD1 4.05Å; L765-L786 HydrophobicContact CD2-CD2 4.17Å; L765-L786 HydrophobicContact CD2-CG 4.39Å; H772-L786 WeakPolarHBondContact O-CA 3.16Å; F773-L786 HydrophobicContact CD2-CD1 4.12Å; L786-R788 PolarHBondContact O-N 3.44Å; L786-N789 PolarHBondContact N-O 3.46Å; L786-N789 PolarHBondContact O-N 3.03Å; L786-F791 HydrophobicContact CB-CD2 4.36Å; L786-F791 HydrophobicContact CB-CE2 4.12Å; L786-F791 HydrophobicContact CD2-CE2 4.06Å |
| 787 | D | 86.9 | Confident | 80.1 | Confident | 59 Ų | 59 | 61.6 Ų | 61.6 | 32% | 0.316 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | -89.3 | -167.1 | -59.2 | -39.1 | 0 | 0 | 0 | 113.8 | H771 H772 | H771-D787 VanDerWaalsContact CA-OD1 3.25Å; H771-D787 WeakPolarHBondContact CA-OD1 3.33Å; H771-D787 IonicContact CE1-OD2 2.7Å; H771-D787 IonicContact CG-OD2 3.81Å; H771-D787 IonicContact ND1-OD1 3.54Å; H771-D787 IonicContact ND1-OD2 3.72Å; H771-D787 PolarHBondContact ND1-OD2 2.95Å; H772-D787 PolarHBondContact N-OD1 2.87Å; H772-D787 PolarHBondContact O-N 2.82Å |
| 788 | R | 79.5 | Confident | 79.2 | Confident | 170 Ų | 170 | 66.2 Ų | 66.2 | 64% | 0.642 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.6 | -3.9 | 176.8 | -66.1 | -177.7 | 178.3 | 164.1 | -0.8 | 113.2 | N619 L786 | N619-R788 PolarHBondContact OD1-NH2 3.19Å; L786-R788 PolarHBondContact O-N 3.44Å |
| 789 | N | 82.7 | Confident | 78.6 | Confident | 88 Ų | 88 | 64.3 Ų | 64.3 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 148 | 179.2 | -63.5 | -31.8 | 0 | 0 | 0 | 110 | H785 L786 F791 | H785-N789 WeakPolarHBondContact CA-O 3.46Å; L786-N789 PolarHBondContact N-O 3.46Å; L786-N789 PolarHBondContact O-N 3.03Å; N789-F791 HydrophobicContact CB-CD2 4.4Å; N789-F791 HydrophobicContact CB-CE2 3.59Å; N789-F791 HydrophobicContact CB-CZ 3.95Å |
| 790 | V | 86.6 | Confident | 78.1 | Confident | 88 Ų | 88 | 65.5 Ų | 65.5 | 53% | 0.533 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 122.8 | 175.5 | -169.5 | 0 | 0 | 0 | 0 | 109 | T783 I784 H785 | T783-V790 HydrophobicContact CG2-CG1 3.85Å; I784-V790 WeakPolarHBondContact O-CA 3.36Å; H785-V790 WeakPolarHBondContact ND1-CG2 3.2Å |
| 791 | F | 88.6 | Confident | 77.7 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 18% | 0.184 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 135.8 | 177.3 | -58.5 | -85.4 | 0 | 0 | 0 | 108.2 | Y759 L761 P762 V763 T783 I784 L786 N789 | Y759-F791 WeakPolarHBondContact OH-CB 3.33Å; L761-F791 HydrophobicContact CD2-CB 3.91Å; L761-F791 HydrophobicContact CD2-CD1 4.39Å; L761-F791 HydrophobicContact CD2-CD2 3.45Å; L761-F791 VanDerWaalsContact CD2-CD2 3.45Å; L761-F791 HydrophobicContact CD2-CE2 4.04Å; L761-F791 HydrophobicContact CD2-CG 3.66Å; P762-F791 HydrophobicContact CG-CD1 4.37Å; P762-F791 HydrophobicContact CG-CE1 3.74Å; P762-F791 HydrophobicContact CG-CZ 4.39Å; V763-F791 HydrophobicContact CG2-CE2 4.11Å; V763-F791 HydrophobicContact CG2-CZ 3.65Å; T783-F791 CarbonylContact C-O 3.54Å; T783-F791 VanDerWaalsContact CA-O 3.32Å; T783-F791 WeakPolarHBondContact CA-O 3.4Å; I784-F791 PolarHBondContact N-O 3.05Å; I784-F791 PolarHBondContact O-N 3.35Å; L786-F791 HydrophobicContact CB-CD2 4.36Å; L786-F791 HydrophobicContact CB-CE2 4.12Å; L786-F791 HydrophobicContact CD2-CE2 4.06Å; N789-F791 HydrophobicContact CB-CD2 4.4Å; N789-F791 HydrophobicContact CB-CE2 3.59Å; N789-F791 HydrophobicContact CB-CZ 3.95Å |
| 792 | S | 85.2 | Confident | 77.5 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 49% | 0.49 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 135.7 | 178.4 | -168.9 | 0 | 0 | 0 | 0 | 110.6 | I782 T783 | I782-S792 CarbonylContact O-C 3.54Å; I782-S792 VanDerWaalsContact O-CA 3.26Å; I782-S792 WeakPolarHBondContact O-CA 3.32Å; I782-S792 PolarHBondContact O-OG 3.37Å; T783-S792 PolarHBondContact OG1-OG 3.04Å |
| 793 | Q | 82.4 | Confident | 77.1 | Confident | 92 Ų | 92 | 60.8 Ų | 60.8 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 150 | -177.5 | 176.7 | 160.4 | -43.4 | 0 | 0 | 110.5 | Y759 Y781 I782 | Y759-Q793 HydrophobicContact CD2-CB 4.3Å; Y759-Q793 HydrophobicContact CE2-CB 3.66Å; Y759-Q793 HydrophobicContact CE2-CG 4.21Å; Y781-Q793 WeakPolarHBondContact CA-O 3.35Å; I782-Q793 HydrophobicContact CG2-CB 4.15Å; I782-Q793 PolarHBondContact N-O 2.84Å; I782-Q793 PolarHBondContact O-N 3.23Å |
| 794 | R | 79.4 | Confident | 76.8 | Confident | 158 Ų | 158 | 59.4 Ų | 59.4 | 60% | 0.596 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 129.8 | 169.2 | -164.5 | -179.4 | -177.2 | 176.7 | -1.9 | 109.7 | S780 Y781 | S780-R794 CarbonylContact O-C 3.51Å; S780-R794 VanDerWaalsContact O-CA 3.29Å; S780-R794 WeakPolarHBondContact O-CA 3.46Å; S780-R794 WeakPolarHBondContact O-CG 3.03Å; Y781-R794 HydrophobicContact CD1-CB 4.26Å; Y781-R794 HydrophobicContact CD2-CG 4.14Å; Y781-R794 HydrophobicContact CE1-CB 3.86Å; Y781-R794 HydrophobicContact CE1-CG 4.31Å; Y781-R794 HydrophobicContact CE2-CB 4.23Å; Y781-R794 HydrophobicContact CE2-CG 3.76Å |
| 795 | T | 73.5 | Confident | 76.3 | Confident | 16 Ų | 16 | 60 Ų | 60 | 10% | 0.098 | 31% | 0.305 | C | S | . | . | trans | -81.3 | 150.7 | 174.3 | 56.1 | 0 | 0 | 0 | 0 | 110.7 | E757 S780 L797 | E757-T795 WeakPolarHBondContact OE2-CB 3.25Å; S780-T795 VanDerWaalsContact CA-OG1 3.27Å; S780-T795 WeakPolarHBondContact CA-OG1 3.27Å; S780-T795 PolarHBondContact O-N 2.97Å; S780-T795 PolarHBondContact O-OG1 2.9Å; T795-L797 WeakPolarHBondContact CB-O 3.43Å; T795-L797 PolarHBondContact OG1-O 2.56Å | ||
| 796 | N | 70.5 | Confident | 76 | Confident | 144 Ų | 144 | 59.2 Ų | 59.2 | 77% | 0.77 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -80.8 | -26.1 | 169.8 | -64.8 | -80.9 | 0 | 0 | 0 | 111.2 | E757 | E757-N796 VanDerWaalsContact CD-N 3.32Å; E757-N796 WeakPolarHBondContact OE1-CB 3.44Å; E757-N796 PolarHBondContact OE1-N 2.74Å; E757-N796 PolarHBondContact OE1-ND2 3.48Å; E757-N796 PolarHBondContact OE2-N 3.42Å |
| 797 | L | 65.5 | Low | 75.8 | Confident | 25 Ų | 25 | 59.2 Ų | 59.2 | 13% | 0.131 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -84.5 | 116.1 | 169.1 | -60.1 | 177.9 | 0 | 0 | 0 | 110.5 | V752 K755 E757 T795 I799 | V752-L797 HydrophobicContact CB-CD1 4.42Å; K755-L797 HydrophobicContact CB-CD1 4.18Å; K755-L797 HydrophobicContact CB-CD2 3.75Å; K755-L797 HydrophobicContact CD-CD2 3.77Å; K755-L797 HydrophobicContact CG-CD2 4.42Å; E757-L797 HydrophobicContact CB-CD1 3.96Å; E757-L797 HydrophobicContact CB-CG 4.37Å; E757-L797 PolarHBondContact OE2-N 2.77Å; T795-L797 WeakPolarHBondContact CB-O 3.43Å; T795-L797 PolarHBondContact OG1-O 2.56Å; L797-I799 PolarHBondContact O-N 3.18Å |
| 798 | T | 58.6 | Low | 75.7 | Confident | 98 Ų | 98 | 56.5 Ų | 56.5 | 60% | 0.601 | 29% | 0.287 | S | S | * | . | trans | -78.7 | 99.6 | 166.3 | 50.1 | 0 | 0 | 0 | 0 | 108.8 | N779 T800 | N779-T798 CarbonylContact O-C 3.58Å; N779-T798 WeakPolarHBondContact O-CA 3.38Å; T798-T800 PolarHBondContact O-N 2.78Å; T798-T800 VanDerWaalsContact O-N 3.09Å | ||
| 799 | I | 57.3 | Low | 76.1 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | trans | -75.4 | 102.6 | 176.1 | -49.5 | -173.2 | 0 | 0 | 0 | 107.7 | Y750 V752 N779 L797 L802 | Y750-I799 HydrophobicContact CD1-CD1 3.19Å; Y750-I799 HydrophobicContact CD2-CD1 4.35Å; Y750-I799 HydrophobicContact CE1-CD1 3.16Å; Y750-I799 HydrophobicContact CE2-CD1 4.35Å; Y750-I799 HydrophobicContact CG-CD1 3.81Å; V752-I799 HydrophobicContact CG2-CD1 4.49Å; V752-I799 HydrophobicContact CG2-CG1 4.32Å; N779-I799 PolarHBondContact O-N 2.74Å; L797-I799 PolarHBondContact O-N 3.18Å; I799-L802 HydrophobicContact CG2-CB 3.98Å | ||
| 800 | T | 56.8 | Low | 76.1 | Confident | 96 Ų | 96 | 44.4 Ų | 44.4 | 59% | 0.589 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -76.5 | -50.6 | 173.3 | 48.8 | 0 | 0 | 0 | 0 | 110.4 | S654 T798 | S654-T800 WeakPolarHBondContact CA-O 3.33Å; S654-T800 WeakPolarHBondContact CB-O 3.26Å; T798-T800 PolarHBondContact O-N 2.78Å; T798-T800 VanDerWaalsContact O-N 3.09Å |
| 801 | E | 64.2 | Low | 75.7 | Confident | 29 Ų | 29 | 40.4 Ų | 40.4 | 14% | 0.136 | 21% | 0.212 | C | C | . | . | trans | -152.2 | 104.6 | -176.1 | -64.8 | 178.5 | -160.6 | 0 | 0 | 109 | F361 F523 Y652 | F361-E801 WeakPolarHBondContact CE2-OE2 3.47Å; F523-E801 HydrophobicContact CE1-CG 3.91Å; F523-E801 HydrophobicContact CZ-CG 3.97Å; Y652-E801 HydrophobicContact CD1-CB 4.12Å | ||
| 802 | L | 74.5 | Confident | 74.5 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 122.5 | 171.7 | -173.4 | 78.4 | 0 | 0 | 0 | 109.5 | Y652 S653 L656 D735 F737 V752 I799 V804 | Y652-L802 WeakPolarHBondContact CA-O 3.35Å; S653-L802 PolarHBondContact N-O 2.99Å; S653-L802 PolarHBondContact O-N 3.03Å; L656-L802 HydrophobicContact CD1-CD2 4.07Å; L656-L802 HydrophobicContact CD2-CD2 4.45Å; D735-L802 HydrophobicContact CB-CD1 4.31Å; F737-L802 HydrophobicContact CB-CD2 3.75Å; V752-L802 HydrophobicContact CG2-CD1 4.34Å; I799-L802 HydrophobicContact CG2-CB 3.98Å; L802-V804 HydrophobicContact CD2-CG2 4.02Å; L802-V804 HydrophobicContact CG-CG2 4.28Å |
| 803 | P | 75.6 | Confident | 73 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 132.5 | 175.6 | 31.8 | -33.5 | 0 | 0 | 0 | 111.5 | Q650 Q651 Y652 P676 D735 | Q650-P803 HydrophobicContact CG-CB 4.39Å; Q651-P803 CarbonylContact O-C 3.58Å; Q651-P803 WeakPolarHBondContact O-CA 3.31Å; Y652-P803 HydrophobicContact CD1-CB 4.17Å; Y652-P803 HydrophobicContact CE1-CB 3.86Å; P676-P803 HydrophobicContact CB-CB 4.17Å; P676-P803 HydrophobicContact CB-CG 4.24Å; D735-P803 HydrophobicContact CB-CG 3.85Å |
| 804 | V | 78.9 | Confident | 71.1 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.03 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 122.1 | 178.7 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | L647 Q651 T674 L802 I807 | L647-V804 HydrophobicContact CD1-CB 4.42Å; L647-V804 HydrophobicContact CD1-CG1 3.94Å; L647-V804 VanDerWaalsContact CD1-O 3.27Å; L647-V804 WeakPolarHBondContact CD1-O 3.36Å; Q651-V804 PolarHBondContact N-O 3.45Å; Q651-V804 PolarHBondContact O-N 2.69Å; T674-V804 HydrophobicContact CG2-CG1 4.28Å; T674-V804 HydrophobicContact CG2-CG2 4.34Å; L802-V804 HydrophobicContact CD2-CG2 4.02Å; L802-V804 HydrophobicContact CG-CG2 4.28Å; V804-I807 HydrophobicContact CG1-CG1 4Å |
| 805 | Q | 77.8 | Confident | 69 | Low | 12 Ų | 12 | 40.3 Ų | 40.3 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -39.1 | 169.9 | -176.6 | 76.4 | 41.1 | 0 | 0 | 111.2 | Q646 L647 Q650 E675 D677 | Q646-Q805 HydrophobicContact CG-CG 4.22Å; L647-Q805 WeakPolarHBondContact CB-O 3.34Å; L647-Q805 PolarHBondContact N-O 3.13Å; L647-Q805 PolarHBondContact O-NE2 3.02Å; Q650-Q805 VanDerWaalsContact CB-OE1 3.28Å; E675-Q805 PolarHBondContact O-N 2.83Å; D677-Q805 HydrophobicContact CB-CB 4.01Å; D677-Q805 HydrophobicContact CB-CG 3.88Å |
| 806 | Q | 81.6 | Confident | 66.9 | Low | 31 Ų | 31 | 47.9 Ų | 47.9 | 15% | 0.145 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 142.8 | 176 | -58.9 | -174.8 | 8.1 | 0 | 0 | 111.7 | I645 Q646 T674 E675 I808 | I645-Q806 CarbonylContact O-C 3.53Å; I645-Q806 VanDerWaalsContact O-CA 3.29Å; I645-Q806 WeakPolarHBondContact O-CA 3.23Å; Q646-Q806 HydrophobicContact CB-CG 4.18Å; Q646-Q806 HydrophobicContact CG-CG 4.19Å; T674-Q806 WeakPolarHBondContact CA-O 3.38Å; E675-Q806 HydrophobicContact CB-CB 4.26Å; E675-Q806 PolarHBondContact N-O 3.26Å; E675-Q806 PolarHBondContact O-N 2.65Å; Q806-I808 HydrophobicContact CB-CG1 4.42Å |
| 807 | I | 85 | Confident | 64.7 | Low | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 118.1 | 166.9 | -56.4 | 161.3 | 0 | 0 | 0 | 106.5 | R644 I645 L672 V804 F839 Y841 | R644-I807 WeakPolarHBondContact CA-O 3.45Å; I645-I807 HydrophobicContact CB-CB 4.47Å; I645-I807 PolarHBondContact N-O 3.43Å; I645-I807 PolarHBondContact O-N 2.8Å; L672-I807 HydrophobicContact CD1-CG2 4.03Å; V804-I807 HydrophobicContact CG1-CG1 4Å; I807-F839 HydrophobicContact CG2-CZ 4.48Å; I807-Y841 HydrophobicContact CD1-CD1 3.43Å; I807-Y841 VanDerWaalsContact CD1-CD1 3.43Å; I807-Y841 HydrophobicContact CD1-CD2 4.22Å; I807-Y841 HydrophobicContact CD1-CE1 3.7Å; I807-Y841 HydrophobicContact CD1-CE2 4.43Å; I807-Y841 HydrophobicContact CD1-CG 3.74Å; I807-Y841 HydrophobicContact CG1-CD1 4.41Å; I807-Y841 HydrophobicContact CG1-CE1 4.31Å; I807-Y841 HydrophobicContact CG1-CE2 4.48Å; I807-Y841 HydrophobicContact CG2-CD2 4.42Å |
| 808 | I | 85.1 | Confident | 62.7 | Low | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.5 | -178.9 | -54.3 | -175.2 | 0 | 0 | 0 | 109 | L642 I643 R644 L672 Y673 Q806 | L642-I808 HydrophobicContact CB-CG2 4.49Å; I643-I808 CarbonylContact O-C 3.1Å; I643-I808 WeakPolarHBondContact O-CA 3.47Å; R644-I808 HydrophobicContact CB-CG1 4.25Å; R644-I808 HydrophobicContact CG-CG1 4.39Å; L672-I808 CarbonylContact C-O 3.31Å; L672-I808 WeakPolarHBondContact CA-O 3.03Å; Y673-I808 HydrophobicContact CD1-CB 4.4Å; Y673-I808 HydrophobicContact CD1-CD1 4.18Å; Y673-I808 PolarHBondContact N-O 3.26Å; Y673-I808 PolarHBondContact O-N 3.09Å; Q806-I808 HydrophobicContact CB-CG1 4.42Å |
| 809 | I | 88.5 | Confident | 61.1 | Low | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131.9 | 179.5 | -52.7 | 171.4 | 0 | 0 | 0 | 108 | F637 L642 I643 I671 L672 I836 F839 L846 | F637-I809 HydrophobicContact CE1-CG2 4.15Å; F637-I809 WeakPolarHBondContact CE1-O 3.09Å; F637-I809 HydrophobicContact CE2-CG2 4.41Å; F637-I809 HydrophobicContact CZ-CB 4.36Å; F637-I809 HydrophobicContact CZ-CG2 3.67Å; L642-I809 CarbonylContact C-O 3.36Å; L642-I809 VanDerWaalsContact CA-O 3.24Å; L642-I809 WeakPolarHBondContact CA-O 3.39Å; I643-I809 HydrophobicContact CB-CB 4.4Å; I643-I809 PolarHBondContact N-O 3.35Å; I643-I809 PolarHBondContact O-N 3.35Å; I671-I809 WeakPolarHBondContact O-CA 3.07Å; I671-I809 WeakPolarHBondContact O-CG2 3.18Å; L672-I809 HydrophobicContact CD1-CG1 4.5Å; I809-I836 HydrophobicContact CG2-CD1 3.77Å; I809-F839 HydrophobicContact CD1-CD1 3.96Å; I809-F839 HydrophobicContact CD1-CD2 3.8Å; I809-F839 HydrophobicContact CD1-CE1 3.8Å; I809-F839 HydrophobicContact CD1-CE2 3.65Å; I809-F839 HydrophobicContact CD1-CG 3.96Å; I809-F839 HydrophobicContact CD1-CZ 3.66Å; I809-F839 HydrophobicContact CG1-CE2 4.16Å; I809-F839 HydrophobicContact CG1-CZ 4.22Å; I809-L846 HydrophobicContact CD1-CD1 3.4Å |
| 810 | G | 83.8 | Confident | 59.5 | Low | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 87.6 | -125.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I671 S812 | I671-G810 PolarHBondContact O-N 2.88Å; G810-S812 PolarHBondContact O-N 3.34Å |
| 811 | S | 77 | Confident | 58 | Low | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.028 | 34% | 0.339 | C | S | . | . | trans | -71.7 | 126.1 | -176.4 | -161.1 | 0 | 0 | 0 | 0 | 112.5 | Q641 L642 N813 | Q641-S811 WeakPolarHBondContact O-CB 3.24Å; Q641-S811 PolarHBondContact O-N 3.29Å; L642-S811 VanDerWaalsContact CB-O 3.25Å; L642-S811 WeakPolarHBondContact CB-O 3.32Å; L642-S811 WeakPolarHBondContact CD2-O 3.23Å; S811-N813 VanDerWaalsContact C-N 3.32Å | ||
| 812 | S | 62.6 | Low | 56.2 | Low | 41 Ų | 41 | 65.8 Ų | 65.8 | 29% | 0.287 | 36% | 0.364 | S | S | . | . | trans | -84.5 | -3.4 | 176.4 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | G810 S814 | G810-S812 PolarHBondContact O-N 3.34Å; S812-S814 PolarHBondContact O-N 3.09Å | ||
| 813 | N | 55.7 | Low | 53.9 | Low | 75 Ų | 75 | 71.7 Ų | 71.7 | 40% | 0.401 | 40% | 0.396 | S | S | . | . | trans | -80.6 | 106.9 | -176.4 | -72.8 | -7.3 | 0 | 0 | 0 | 110.7 | S811 Y815 | S811-N813 VanDerWaalsContact C-N 3.32Å; N813-Y815 PolarHBondContact O-N 2.84Å; N813-Y815 VanDerWaalsContact O-N 3.13Å | ||
| 814 | S | 41.4 | Very low | 51.6 | Low | 72 Ų | 72 | 77 Ų | 77 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | trans | -59.8 | 111.5 | 163.7 | 42.6 | 0 | 0 | 0 | 0 | 110.1 | S812 E816 | S812-S814 PolarHBondContact O-N 3.09Å; S814-E816 PolarHBondContact O-N 3.16Å | ||
| 815 | Y | 35.7 | Very low | 49.2 | Very low | 171 Ų | 171 | 87.6 Ų | 87.6 | 67% | 0.671 | 47% | 0.47 | S | S | * | . | trans | -75.2 | 53.3 | 163.8 | -90.7 | -84 | 0 | 0 | 0 | 110.4 | N813 | N813-Y815 PolarHBondContact O-N 2.84Å; N813-Y815 VanDerWaalsContact O-N 3.13Å | ||
| 816 | E | 29 | Very low | 47 | Very low | 175 Ų | 175 | 94.1 Ų | 94.1 | 82% | 0.818 | 50% | 0.503 | S | S | * | . | trans | -67.1 | 141 | 166.4 | -78.6 | -154.1 | 128.9 | 0 | 0 | 110.1 | S814 | S814-E816 PolarHBondContact O-N 3.16Š| ||
| 817 | S | 24.3 | Very low | 44.8 | Very low | 108 Ų | 108 | 99.8 Ų | 99.8 | 76% | 0.755 | 54% | 0.535 | S | S | * | . | trans | -78.4 | 142.5 | -166.6 | 53 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 818 | S | 24.5 | Very low | 42.8 | Very low | 104 Ų | 104 | 106.8 Ų | 106.8 | 73% | 0.727 | 57% | 0.567 | S | S | * | * | S | Bend | trans | 87.6 | 128.2 | 158.1 | 83.3 | 0 | 0 | 0 | 0 | 119 | ||
| 819 | L | 24.6 | Very low | 41.2 | Very low | 164 Ų | 164 | 110.5 Ų | 110.5 | 86% | 0.859 | 59% | 0.586 | S | S | * | * | trans | 54.3 | 78.8 | 139.2 | -59.7 | 169.7 | 0 | 0 | 0 | 118.9 | ||||
| 820 | L | 24.2 | Very low | 39.9 | Very low | 132 Ų | 132 | 113.1 Ų | 113.1 | 69% | 0.691 | 60% | 0.6 | S | S | * | * | trans | -174.3 | 136.7 | 131.2 | -100.7 | 165.5 | 0 | 0 | 0 | 111 | I822 | L820-I822 HydrophobicContact CB-CD1 4.28Å; L820-I822 HydrophobicContact CB-CG1 4.1Å; L820-I822 PolarHBondContact O-N 2.93Å | ||
| 821 | P | 24.5 | Very low | 39.4 | Very low | 132 Ų | 132 | 113.2 Ų | 113.2 | 86% | 0.857 | 60% | 0.602 | S | S | * | * | trans | -85.1 | 98.5 | 173.5 | 32.4 | -30.5 | 0 | 0 | 0 | 110.7 | ||||
| 822 | I | 26.8 | Very low | 39.9 | Very low | 131 Ų | 131 | 113.1 Ų | 113.1 | 67% | 0.672 | 60% | 0.601 | S | S | * | * | trans | -103.8 | 142.9 | -178.2 | -57.1 | -176.9 | 0 | 0 | 0 | 111 | L820 | L820-I822 HydrophobicContact CB-CD1 4.28Å; L820-I822 HydrophobicContact CB-CG1 4.1Å; L820-I822 PolarHBondContact O-N 2.93Å | ||
| 823 | N | 25.8 | Very low | 40.9 | Very low | 128 Ų | 128 | 112.3 Ų | 112.3 | 68% | 0.684 | 59% | 0.593 | S | S | * | * | trans | -40.7 | 129.9 | -166 | -75.1 | -60.4 | 0 | 0 | 0 | 117.1 | R825 | N823-R825 PolarHBondContact O-N 3.13Š| ||
| 824 | P | 27.7 | Very low | 42.4 | Very low | 123 Ų | 123 | 109 Ų | 109 | 80% | 0.799 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 39.9 | 176.5 | 37 | -38.7 | 0 | 0 | 0 | 113.1 | ||
| 825 | R | 27.5 | Very low | 44.5 | Very low | 228 Ų | 228 | 106.4 Ų | 106.4 | 86% | 0.86 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | -7.3 | -176.4 | -81.3 | -167.4 | 176.8 | -175.1 | 0.5 | 115.3 | N823 | N823-R825 PolarHBondContact O-N 3.13Š|
| 826 | I | 31.3 | Very low | 47.1 | Very low | 149 Ų | 149 | 98.3 Ų | 98.3 | 76% | 0.764 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -80.2 | 126.3 | 163.2 | -59.6 | 175.1 | 0 | 0 | 0 | 106.1 | Q828 | I826-Q828 PolarHBondContact O-N 2.94Š|
| 827 | N | 35.7 | Very low | 49.7 | Very low | 151 Ų | 151 | 90.3 Ų | 90.3 | 81% | 0.807 | 49% | 0.489 | S | S | * | . | trans | -57.9 | 104.2 | 177.4 | -74.1 | -22.3 | 0 | 0 | 0 | 109.2 | I829 | N827-I829 PolarHBondContact O-N 2.97Š| ||
| 828 | Q | 43.8 | Very low | 52.4 | Low | 148 Ų | 148 | 89 Ų | 89 | 69% | 0.692 | 47% | 0.469 | S | S | * | . | trans | -67.7 | 98.7 | 174.6 | -73.6 | -176.3 | -29.9 | 0 | 0 | 108.4 | I826 N830 | I826-Q828 PolarHBondContact O-N 2.94Å; Q828-N830 PolarHBondContact O-N 3.3Å; Q828-N830 VanDerWaalsContact O-N 3.09Å | ||
| 829 | I | 50.5 | Low | 55.2 | Low | 80 Ų | 80 | 84.3 Ų | 84.3 | 41% | 0.41 | 44% | 0.435 | S | S | . | . | trans | -67 | 108.9 | 169.9 | -52 | 177.6 | 0 | 0 | 0 | 105.8 | T670 L740 N827 | T670-I829 VanDerWaalsContact OG1-CG2 3.25Å; T670-I829 WeakPolarHBondContact OG1-CG2 3.41Å; L740-I829 HydrophobicContact CD2-CD1 4.45Å; L740-I829 HydrophobicContact CD2-CG2 4.46Å; N827-I829 PolarHBondContact O-N 2.97Å | ||
| 830 | N | 62.3 | Low | 57.8 | Low | 58 Ų | 58 | 76.8 Ų | 76.8 | 31% | 0.31 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 147.5 | 178.6 | -60.9 | -57.2 | 0 | 0 | 0 | 109.8 | G669 T670 Q828 P1074 | G669-N830 CarbonylContact C-O 3.43Å; G669-N830 WeakPolarHBondContact CA-O 3.45Å; T670-N830 PolarHBondContact N-O 2.96Å; Q828-N830 PolarHBondContact O-N 3.3Å; Q828-N830 VanDerWaalsContact O-N 3.09Å; N830-P1074 HydrophobicContact CB-CG 4.21Å |
| 831 | G | 73 | Confident | 60.5 | Low | 4 Ų | 4 | 70.9 Ų | 70.9 | 4% | 0.041 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -63.2 | 163.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G639 N833 | G639-G831 WeakPolarHBondContact CA-O 3.11Å; G639-G831 WeakPolarHBondContact O-CA 3.1Å; G639-G831 PolarHBondContact O-N 3.03Å; G831-N833 PolarHBondContact O-N 3.04Å |
| 832 | Y | 86.9 | Confident | 62.8 | Low | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.008 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 131 | 174.5 | -168.5 | -118.2 | 0 | 0 | 0 | 112.4 | F637 G639 Q663 T664 T670 I671 G834 I836 | F637-Y832 HydrophobicContact CB-CD1 4.05Å; F637-Y832 WeakPolarHBondContact CB-O 3.28Å; F637-Y832 AromaticContact CD2-CD1 4Å; F637-Y832 HydrophobicContact CD2-CD1 4Å; F637-Y832 HydrophobicContact CG-CD1 4.18Å; G639-Y832 WeakPolarHBondContact CA-O 3.37Å; G639-Y832 PolarHBondContact N-O 3.33Å; Q663-Y832 PolarHBondContact N-OH 2.95Å; T664-Y832 WeakPolarHBondContact CB-OH 3.39Å; T664-Y832 HydrophobicContact CG2-CE2 4.04Å; T670-Y832 WeakPolarHBondContact O-CA 3.43Å; T670-Y832 VanDerWaalsContact O-CB 3.27Å; T670-Y832 WeakPolarHBondContact O-CB 3.37Å; T670-Y832 PolarHBondContact O-N 2.79Å; I671-Y832 HydrophobicContact CD1-CE2 4.43Å; I671-Y832 HydrophobicContact CG1-CD2 3.6Å; I671-Y832 HydrophobicContact CG1-CE2 3.87Å; I671-Y832 HydrophobicContact CG1-CG 4.42Å; Y832-G834 VanDerWaalsContact CE1-C 3.43Å; Y832-I836 HydrophobicContact CD1-CD1 3.86Å; Y832-I836 HydrophobicContact CD1-CG1 3.97Å; Y832-I836 HydrophobicContact CE1-CD1 3.93Å; Y832-I836 HydrophobicContact CE1-CG1 3.56Å |
| 833 | N | 84 | Confident | 64.4 | Low | 23 Ų | 23 | 59.7 Ų | 59.7 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 117.3 | 165.5 | -176.5 | -59.6 | 0 | 0 | 0 | 108.2 | F637 N638 T664 H666 G831 | F637-N833 CarbonylContact O-C 3.55Å; F637-N833 VanDerWaalsContact O-CA 3.28Å; F637-N833 WeakPolarHBondContact O-CA 3.42Å; N638-N833 WeakPolarHBondContact CA-ND2 3.27Å; N638-N833 PolarHBondContact O-ND2 3.06Å; T664-N833 WeakPolarHBondContact CB-O 3.27Å; T664-N833 PolarHBondContact OG1-O 2.92Å; H666-N833 VanDerWaalsContact CD2-CG 3.49Å; H666-N833 PolarHBondContact CD2-OD1 2.96Å; H666-N833 VanDerWaalsContact CD2-OD1 3.26Å; G831-N833 PolarHBondContact O-N 3.04Å |
| 834 | G | 86.4 | Confident | 66.3 | Low | 6 Ų | 6 | 54.4 Ų | 54.4 | 6% | 0.062 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.1 | -173.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F637 Q663 Y832 | F637-G834 PolarHBondContact N-O 3.36Å; F637-G834 PolarHBondContact O-N 3.33Å; Q663-G834 WeakPolarHBondContact O-CA 3.49Å; Y832-G834 VanDerWaalsContact CE1-C 3.43Å |
| 835 | D | 86.8 | Confident | 68.1 | Low | 17 Ų | 17 | 53.5 Ų | 53.5 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 142.7 | 177.6 | -59.4 | -26.9 | 0 | 0 | 0 | 110.6 | I634 L635 H636 F662 Q663 W770 | I634-D835 HydrophobicContact CG2-CB 3.85Å; L635-D835 CarbonylContact O-C 3.49Å; L635-D835 WeakPolarHBondContact O-CA 3.17Å; H636-D835 IonicContact CE1-OD1 3.46Å; H636-D835 IonicContact CG-OD1 2.7Å; H636-D835 IonicContact ND1-OD1 2.67Å; H636-D835 PolarHBondContact ND1-OD1 3.4Å; F662-D835 CarbonylContact C-O 3.56Å; F662-D835 VanDerWaalsContact CA-O 3.26Å; F662-D835 WeakPolarHBondContact CA-O 3.36Å; Q663-D835 HydrophobicContact CB-CB 4.42Å; Q663-D835 PolarHBondContact N-O 2.73Å; Q663-D835 PolarHBondContact NE2-OD2 2.82Å; Q663-D835 PolarHBondContact O-N 3.1Å; W770-D835 HydrophobicContact CH2-CB 3.54Å; W770-D835 HydrophobicContact CZ2-CB 3.67Å |
| 836 | I | 88.9 | Confident | 69.9 | Low | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 144.1 | 172.8 | -56.3 | -176.2 | 0 | 0 | 0 | 109.5 | L635 F637 F660 M661 F662 I671 I809 Y832 | L635-I836 HydrophobicContact CB-CB 4.49Å; L635-I836 PolarHBondContact N-O 3.34Å; L635-I836 PolarHBondContact O-N 3.28Å; F637-I836 HydrophobicContact CD2-CD1 4.21Å; F637-I836 HydrophobicContact CD2-CG1 4.22Å; F637-I836 HydrophobicContact CE2-CB 4.11Å; F637-I836 HydrophobicContact CE2-CD1 3.72Å; F637-I836 HydrophobicContact CE2-CG1 3.92Å; F637-I836 HydrophobicContact CZ-CD1 4.29Å; F660-I836 HydrophobicContact CB-CG2 4.13Å; M661-I836 CarbonylContact O-C 3.23Å; M661-I836 WeakPolarHBondContact O-CA 3.22Å; F662-I836 HydrophobicContact CB-CG1 4.5Å; I671-I836 HydrophobicContact CG2-CD1 4.26Å; I809-I836 HydrophobicContact CG2-CD1 3.77Å; Y832-I836 HydrophobicContact CD1-CD1 3.86Å; Y832-I836 HydrophobicContact CD1-CG1 3.97Å; Y832-I836 HydrophobicContact CE1-CD1 3.93Å; Y832-I836 HydrophobicContact CE1-CG1 3.56Å |
| 837 | A | 85.2 | Confident | 71.2 | Confident | 7 Ų | 7 | 37 Ų | 37 | 6% | 0.058 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 163.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I634 M661 W770 F839 | I634-A837 HydrophobicContact CG1-CB 4.43Å; M661-A837 HydrophobicContact CB-CB 4.44Å; M661-A837 PolarHBondContact N-O 2.78Å; M661-A837 PolarHBondContact O-N 2.89Å; W770-A837 HydrophobicContact CH2-CB 4.05Å; W770-A837 HydrophobicContact CZ3-CB 3.91Å; A837-F839 VanDerWaalsContact C-N 3.3Å; A837-F839 PolarHBondContact O-N 3.26Å |
| 838 | Y | 79.4 | Confident | 71.8 | Confident | 81 Ų | 81 | 31.3 Ų | 31.3 | 32% | 0.318 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.9 | 42.1 | 176.4 | -64.7 | -73 | 0 | 0 | 0 | 114.6 | L617 Y621 T632 M661 S840 | L617-Y838 HydrophobicContact CD2-CD2 4.39Å; L617-Y838 HydrophobicContact CD2-CE1 4.21Å; L617-Y838 HydrophobicContact CD2-CE2 3.69Å; L617-Y838 WeakPolarHBondContact CD2-OH 3.19Å; Y621-Y838 PolarHBondContact OH-OH 2.9Å; T632-Y838 HydrophobicContact CG2-CE1 4.33Å; T632-Y838 HydrophobicContact CG2-CE2 4.12Å; T632-Y838 WeakPolarHBondContact CG2-OH 3.41Å; M661-Y838 HydrophobicContact CG-CD2 4.38Å; M661-Y838 HydrophobicContact SD-CD2 3.67Å; M661-Y838 HydrophobicContact SD-CE2 4.08Å; Y838-S840 PolarHBondContact O-N 2.91Å |
| 839 | F | 84.6 | Confident | 71.7 | Confident | 6 Ų | 6 | 28.2 Ų | 28.2 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 128.3 | 178.5 | -175.3 | -80.7 | 0 | 0 | 0 | 111.2 | V659 F660 L672 I807 I809 A837 L846 | V659-F839 CarbonylContact O-C 3.59Å; V659-F839 WeakPolarHBondContact O-CA 3.21Å; F660-F839 HydrophobicContact CB-CB 4.4Å; F660-F839 HydrophobicContact CB-CD2 3.97Å; F660-F839 HydrophobicContact CD1-CD2 4.28Å; F660-F839 HydrophobicContact CD1-CE2 4.36Å; F660-F839 HydrophobicContact CG-CD2 4.39Å; L672-F839 HydrophobicContact CD1-CE2 3.57Å; L672-F839 HydrophobicContact CD1-CZ 3.44Å; L672-F839 VanDerWaalsContact CD1-CZ 3.44Å; I807-F839 HydrophobicContact CG2-CZ 4.48Å; I809-F839 HydrophobicContact CD1-CD1 3.96Å; I809-F839 HydrophobicContact CD1-CD2 3.8Å; I809-F839 HydrophobicContact CD1-CE1 3.8Å; I809-F839 HydrophobicContact CD1-CE2 3.65Å; I809-F839 HydrophobicContact CD1-CG 3.96Å; I809-F839 HydrophobicContact CD1-CZ 3.66Å; I809-F839 HydrophobicContact CG1-CE2 4.16Å; I809-F839 HydrophobicContact CG1-CZ 4.22Å; A837-F839 VanDerWaalsContact C-N 3.3Å; A837-F839 PolarHBondContact O-N 3.26Å; F839-L846 HydrophobicContact CB-CB 4.01Å; F839-L846 HydrophobicContact CB-CD1 4.35Å; F839-L846 HydrophobicContact CD1-CB 3.96Å; F839-L846 HydrophobicContact CD1-CD1 3.65Å; F839-L846 HydrophobicContact CD1-CG 4.39Å; F839-L846 HydrophobicContact CE1-CD1 4.22Å; F839-L846 HydrophobicContact CG-CB 4.41Å; F839-L846 HydrophobicContact CG-CD1 4.11Å; F839-L846 PolarHBondContact O-N 2.84Å |
| 840 | S | 78.9 | Confident | 71.3 | Confident | 6 Ų | 6 | 30 Ų | 30 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 138.3 | 169.8 | -169.8 | 0 | 0 | 0 | 0 | 110.7 | I658 V659 Y838 L844 | I658-S840 WeakPolarHBondContact CA-O 3.33Å; V659-S840 PolarHBondContact N-O 2.85Å; V659-S840 PolarHBondContact O-N 2.86Å; Y838-S840 PolarHBondContact O-N 2.91Å; S840-L844 WeakPolarHBondContact CA-O 3.41Å |
| 841 | Y | 80.1 | Confident | 70.1 | Confident | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 115.2 | 176.2 | 179.8 | -78.5 | 0 | 0 | 0 | 109.3 | L656 I658 L672 T674 I807 G843 L844 | L656-Y841 HydrophobicContact CD2-CE2 4.19Å; L656-Y841 WeakPolarHBondContact CD2-OH 3.27Å; I658-Y841 HydrophobicContact CD1-CD2 3.68Å; I658-Y841 HydrophobicContact CD1-CE2 3.64Å; I658-Y841 HydrophobicContact CG1-CD2 3.67Å; I658-Y841 HydrophobicContact CG1-CE2 4.03Å; I658-Y841 HydrophobicContact CG1-CG 4.45Å; L672-Y841 HydrophobicContact CD1-CD2 4.48Å; T674-Y841 HydrophobicContact CG2-CE2 4.23Å; I807-Y841 HydrophobicContact CD1-CD1 3.43Å; I807-Y841 VanDerWaalsContact CD1-CD1 3.43Å; I807-Y841 HydrophobicContact CD1-CD2 4.22Å; I807-Y841 HydrophobicContact CD1-CE1 3.7Å; I807-Y841 HydrophobicContact CD1-CE2 4.43Å; I807-Y841 HydrophobicContact CD1-CG 3.74Å; I807-Y841 HydrophobicContact CG1-CD1 4.41Å; I807-Y841 HydrophobicContact CG1-CE1 4.31Å; I807-Y841 HydrophobicContact CG1-CE2 4.48Å; I807-Y841 HydrophobicContact CG2-CD2 4.42Å; Y841-G843 PolarHBondContact O-N 2.8Å; Y841-G843 VanDerWaalsContact O-N 3.16Å; Y841-L844 PolarHBondContact N-O 2.71Å; Y841-L844 VanDerWaalsContact N-O 3.12Å; Y841-L844 VanDerWaalsContact O-CB 3.26Å; Y841-L844 WeakPolarHBondContact O-CB 3.39Å; Y841-L844 PolarHBondContact O-N 2.59Å |
| 842 | N | 72.3 | Confident | 68.3 | Low | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | 44.2 | -171.8 | -69 | 5.4 | 0 | 0 | 0 | 112.1 | Y534 L655 L656 W657 L844 | Y534-N842 WeakPolarHBondContact CE2-O 3.27Å; Y534-N842 PolarHBondContact OH-O 2.74Å; L655-N842 PolarHBondContact O-ND2 3.26Å; L656-N842 WeakPolarHBondContact CA-OD1 3.47Å; W657-N842 PolarHBondContact N-OD1 3.21Å; W657-N842 PolarHBondContact O-N 3.03Å; W657-N842 PolarHBondContact O-OD1 3.01Å; N842-L844 VanDerWaalsContact C-N 3.29Å; N842-L844 PolarHBondContact O-N 3Å |
| 843 | G | 60.5 | Low | 65.6 | Low | 21 Ų | 21 | 46.3 Ų | 46.3 | 22% | 0.216 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | -10.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y841 E845 | Y841-G843 PolarHBondContact O-N 2.8Å; Y841-G843 VanDerWaalsContact O-N 3.16Å; G843-E845 PolarHBondContact O-N 2.95Å |
| 844 | L | 66.8 | Low | 62.9 | Low | 17 Ų | 17 | 50.2 Ų | 50.2 | 9% | 0.089 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 95.9 | 170.7 | -60.8 | 168.5 | 0 | 0 | 0 | 109.6 | I518 L647 S840 Y841 N842 F871 W876 | I518-L844 HydrophobicContact CD1-CD2 4.34Å; I518-L844 HydrophobicContact CG2-CD2 4.45Å; L647-L844 HydrophobicContact CD2-CD1 4.32Å; S840-L844 WeakPolarHBondContact CA-O 3.41Å; Y841-L844 PolarHBondContact N-O 2.71Å; Y841-L844 VanDerWaalsContact N-O 3.12Å; Y841-L844 VanDerWaalsContact O-CB 3.26Å; Y841-L844 WeakPolarHBondContact O-CB 3.39Å; Y841-L844 PolarHBondContact O-N 2.59Å; N842-L844 VanDerWaalsContact C-N 3.29Å; N842-L844 PolarHBondContact O-N 3Å; L844-F871 HydrophobicContact CD2-CE1 3.94Å; L844-F871 HydrophobicContact CD2-CE2 4.05Å; L844-F871 HydrophobicContact CD2-CZ 3.6Å; L844-W876 HydrophobicContact CD1-CH2 3.81Å; L844-W876 HydrophobicContact CD1-CZ3 4.14Å; L844-W876 HydrophobicContact CD2-CH2 3.86Å; L844-W876 HydrophobicContact CD2-CZ2 4.46Å |
| 845 | E | 65.9 | Low | 60.1 | Low | 105 Ų | 105 | 55.7 Ų | 55.7 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 135.7 | 173.6 | -67.3 | -162 | 162.5 | 0 | 0 | 112.4 | G843 L847 | G843-E845 PolarHBondContact O-N 2.95Å; E845-L847 PolarHBondContact O-N 2.82Å |
| 846 | L | 64.6 | Low | 57.5 | Low | 12 Ų | 12 | 60.8 Ų | 60.8 | 6% | 0.063 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -89.7 | 105.1 | 176.5 | -134.1 | 161.3 | 0 | 0 | 0 | 109.2 | L635 I645 I809 F839 F869 F880 | L635-L846 HydrophobicContact CD1-CD2 4.32Å; I645-L846 HydrophobicContact CD1-CD1 3.83Å; I645-L846 HydrophobicContact CD1-CG 4.12Å; I809-L846 HydrophobicContact CD1-CD1 3.4Å; F839-L846 HydrophobicContact CB-CB 4.01Å; F839-L846 HydrophobicContact CB-CD1 4.35Å; F839-L846 HydrophobicContact CD1-CB 3.96Å; F839-L846 HydrophobicContact CD1-CD1 3.65Å; F839-L846 HydrophobicContact CD1-CG 4.39Å; F839-L846 HydrophobicContact CE1-CD1 4.22Å; F839-L846 HydrophobicContact CG-CB 4.41Å; F839-L846 HydrophobicContact CG-CD1 4.11Å; F839-L846 PolarHBondContact O-N 2.84Å; L846-F869 HydrophobicContact CD2-CE1 4.37Å; L846-F869 HydrophobicContact CD2-CZ 4.01Å; L846-F880 HydrophobicContact CD2-CE2 3.99Å; L846-F880 HydrophobicContact CD2-CZ 3.61Å |
| 847 | L | 58 | Low | 54.5 | Low | 17 Ų | 17 | 69.1 Ų | 69.1 | 9% | 0.089 | 35% | 0.354 | C | S | . | . | S | Bend | trans | 70.8 | 81.7 | -170.8 | -52.5 | 162.8 | 0 | 0 | 0 | 112.7 | P633 L635 E845 Y849 L865 S868 F869 L884 | P633-L847 HydrophobicContact CB-CD1 3.9Å; P633-L847 HydrophobicContact CG-CB 4.24Å; P633-L847 HydrophobicContact CG-CD1 4.38Å; L635-L847 HydrophobicContact CD2-CD1 4.26Å; E845-L847 PolarHBondContact O-N 2.82Å; L847-Y849 PolarHBondContact O-N 3.46Å; L847-L865 HydrophobicContact CD2-CD2 4.3Å; L847-L865 HydrophobicContact CD2-CG 4.14Å; L847-S868 WeakPolarHBondContact CD2-OG 3.26Å; L847-F869 HydrophobicContact CD2-CE2 3.67Å; L847-F869 HydrophobicContact CD2-CZ 3.83Å; L847-F869 HydrophobicContact CG-CE2 4.5Å; L847-F869 HydrophobicContact CG-CZ 4.17Å; L847-L884 HydrophobicContact CD1-CD1 3.63Å; L847-L884 HydrophobicContact CD1-CD2 4.27Å |
| 848 | S | 49.4 | Very low | 51.8 | Low | 33 Ų | 33 | 77.5 Ų | 77.5 | 23% | 0.231 | 39% | 0.385 | C | S | . | . | trans | -51.6 | 127.1 | -179.1 | 169.5 | 0 | 0 | 0 | 0 | 112.3 | K850 S868 E870 | S848-K850 VanDerWaalsContact C-N 3.29Å; S848-K850 PolarHBondContact O-N 3.05Å; S848-S868 PolarHBondContact N-O 2.89Å; S848-E870 PolarHBondContact OG-OE2 3.3Å | ||
| 849 | Y | 42 | Very low | 49.4 | Very low | 83 Ų | 83 | 79.1 Ų | 79.1 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | trans | -81.1 | 69.8 | -175.1 | -160.8 | -91 | 0 | 0 | 0 | 112.3 | E630 T632 L847 K851 | E630-Y849 VanDerWaalsContact C-OH 3.29Å; E630-Y849 WeakPolarHBondContact CB-OH 3.31Å; E630-Y849 PolarHBondContact O-OH 3.29Å; T632-Y849 HydrophobicContact CG2-CE2 4.26Å; L847-Y849 PolarHBondContact O-N 3.46Å; Y849-K851 PolarHBondContact O-N 2.88Å | ||
| 850 | K | 41 | Very low | 46.8 | Very low | 117 Ų | 117 | 82.4 Ų | 82.4 | 51% | 0.509 | 42% | 0.423 | S | S | . | . | trans | -69.6 | 96.4 | 177.6 | -89.4 | -174.5 | 169.3 | 162.2 | 0 | 112.7 | S848 N852 E870 | S848-K850 VanDerWaalsContact C-N 3.29Å; S848-K850 PolarHBondContact O-N 3.05Å; K850-N852 PolarHBondContact O-N 3.29Å; K850-E870 WeakPolarHBondContact CE-OE1 3.44Å; K850-E870 WeakPolarHBondContact CE-OE2 3.38Å; K850-E870 IonicContact NZ-OE1 3.23Å; K850-E870 PolarHBondContact NZ-OE1 3.42Å; K850-E870 IonicContact NZ-OE2 2.86Å; K850-E870 PolarHBondContact NZ-OE2 2.86Å | ||
| 851 | K | 37.3 | Very low | 44.6 | Very low | 142 Ų | 142 | 87.6 Ų | 87.6 | 62% | 0.617 | 45% | 0.451 | S | S | * | . | trans | -69.8 | 50.8 | 174.2 | -158.9 | -177.1 | -176.5 | 176.8 | 0 | 113.6 | E630 Y849 | E630-K851 VanDerWaalsContact OE2-CE 3.24Å; E630-K851 WeakPolarHBondContact OE2-CE 2.89Å; Y849-K851 PolarHBondContact O-N 2.88Å | ||
| 852 | N | 34.4 | Very low | 42.6 | Very low | 112 Ų | 112 | 96 Ų | 96 | 60% | 0.599 | 49% | 0.487 | S | S | * | . | trans | -92.1 | 130 | 175.5 | -77.3 | -13.4 | 0 | 0 | 0 | 110.1 | K850 V854 | K850-N852 PolarHBondContact O-N 3.29Å; N852-V854 PolarHBondContact O-N 2.87Å | ||
| 853 | N | 30.6 | Very low | 41 | Very low | 153 Ų | 153 | 98.8 Ų | 98.8 | 82% | 0.818 | 51% | 0.508 | S | S | * | . | trans | -72 | 58.5 | -179.2 | -75.7 | -46.6 | 0 | 0 | 0 | 113.2 | ||||
| 854 | V | 28 | Very low | 39.9 | Very low | 104 Ų | 104 | 101 Ų | 101 | 63% | 0.63 | 51% | 0.514 | S | S | * | . | trans | -115.9 | 109.4 | 172.7 | -177.2 | 0 | 0 | 0 | 0 | 108 | N852 I856 | N852-V854 PolarHBondContact O-N 2.87Å; V854-I856 HydrophobicContact CG1-CG1 4.39Å; V854-I856 PolarHBondContact O-N 3.33Å | ||
| 855 | P | 27.7 | Very low | 38.6 | Very low | 121 Ų | 121 | 101.8 Ų | 101.8 | 79% | 0.786 | 52% | 0.519 | S | S | * | . | trans | -73.2 | 90.7 | 178.8 | 29 | -33.4 | 0 | 0 | 0 | 110.2 | Q857 | P855-Q857 PolarHBondContact O-N 3.47Š| ||
| 856 | I | 31.4 | Very low | 37.2 | Very low | 124 Ų | 124 | 102 Ų | 102 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | trans | -68.8 | 93.7 | 178.4 | -58.4 | 177.7 | 0 | 0 | 0 | 109.1 | V854 Y858 | V854-I856 HydrophobicContact CG1-CG1 4.39Å; V854-I856 PolarHBondContact O-N 3.33Å; I856-Y858 PolarHBondContact O-N 2.76Å; I856-Y858 VanDerWaalsContact O-N 3.16Å | ||
| 857 | Q | 27.2 | Very low | 35.8 | Very low | 177 Ų | 177 | 108.4 Ų | 108.4 | 83% | 0.827 | 55% | 0.554 | S | S | * | * | trans | -85.7 | 26.4 | -171.9 | -150.3 | 176.8 | 26.3 | 0 | 0 | 113.9 | P855 | P855-Q857 PolarHBondContact O-N 3.47Š| ||
| 858 | Y | 27 | Very low | 34.9 | Very low | 183 Ų | 183 | 109.3 Ų | 109.3 | 72% | 0.718 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -133.2 | 140.7 | -176 | -67.1 | -79 | 0 | 0 | 0 | 111.4 | I856 | I856-Y858 PolarHBondContact O-N 2.76Å; I856-Y858 VanDerWaalsContact O-N 3.16Å |
| 859 | P | 28.8 | Very low | 34.1 | Very low | 115 Ų | 115 | 109.2 Ų | 109.2 | 75% | 0.747 | 56% | 0.557 | S | S | * | * | trans | -66.3 | 137.4 | 173.9 | 29.4 | -34.3 | 0 | 0 | 0 | 110.4 | N861 | P859-N861 PolarHBondContact O-N 2.94Š| ||
| 860 | L | 31.7 | Very low | 34 | Very low | 74 Ų | 74 | 109.9 Ų | 109.9 | 39% | 0.387 | 56% | 0.563 | S | S | . | * | trans | -72.5 | 110 | 178.8 | -77.8 | 79.8 | 0 | 0 | 0 | 110.7 | N864 | L860-N864 HydrophobicContact CB-CB 4.27Å; L860-N864 HydrophobicContact CD2-CB 3.99Å; L860-N864 HydrophobicContact CG-CB 3.99Å | ||
| 861 | N | 33 | Very low | 33.9 | Very low | 116 Ų | 116 | 106.5 Ų | 106.5 | 62% | 0.62 | 55% | 0.548 | S | S | * | . | trans | -72.2 | 161.5 | 157.6 | -84.3 | -14.1 | 0 | 0 | 0 | 110.1 | P859 S863 N864 | P859-N861 PolarHBondContact O-N 2.94Å; N861-S863 PolarHBondContact O-N 3.16Å; N861-N864 PolarHBondContact O-N 2.89Å | ||
| 862 | K | 37.5 | Very low | 34 | Very low | 182 Ų | 182 | 102.3 Ų | 102.3 | 79% | 0.791 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -49 | -32.9 | -176.9 | -97 | -166 | 166.9 | -160.9 | 0 | 114.9 | N864 | K862-N864 PolarHBondContact O-N 3.19Å; K862-N864 VanDerWaalsContact O-N 3.1Å |
| 863 | S | 38 | Very low | 34 | Very low | 67 Ų | 67 | 99.4 Ų | 99.4 | 47% | 0.469 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -59.2 | -16 | 177.6 | 53.6 | 0 | 0 | 0 | 0 | 115.4 | N861 | N861-S863 PolarHBondContact O-N 3.16Š|
| 864 | N | 38.3 | Very low | 34.4 | Very low | 66 Ų | 66 | 100.2 Ų | 100.2 | 35% | 0.353 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -94.5 | -12.5 | -170.3 | -68.2 | 18.3 | 0 | 0 | 0 | 113.8 | L860 N861 K862 E866 N867 | L860-N864 HydrophobicContact CB-CB 4.27Å; L860-N864 HydrophobicContact CD2-CB 3.99Å; L860-N864 HydrophobicContact CG-CB 3.99Å; N861-N864 PolarHBondContact O-N 2.89Å; K862-N864 PolarHBondContact O-N 3.19Å; K862-N864 VanDerWaalsContact O-N 3.1Å; N864-E866 VanDerWaalsContact C-N 3.27Å; N864-E866 PolarHBondContact O-N 2.88Å; N864-N867 PolarHBondContact O-N 3.22Å |
| 865 | L | 39.1 | Very low | 35.2 | Very low | 35 Ų | 35 | 99.8 Ų | 99.8 | 18% | 0.183 | 52% | 0.517 | C | S | . | . | G | 310 helix | trans | -64 | -35 | 174.5 | -97.5 | 74.4 | 0 | 0 | 0 | 111.7 | L847 N867 S868 F880 L884 | L847-L865 HydrophobicContact CD2-CD2 4.3Å; L847-L865 HydrophobicContact CD2-CG 4.14Å; L865-N867 PolarHBondContact O-N 3.04Å; L865-N867 VanDerWaalsContact O-N 3.1Å; L865-S868 PolarHBondContact O-N 2.86Å; L865-S868 PolarHBondContact O-OG 3.02Å; L865-F880 HydrophobicContact CD2-CD1 4.22Å; L865-F880 HydrophobicContact CD2-CD2 4.1Å; L865-F880 HydrophobicContact CD2-CE1 4.19Å; L865-F880 HydrophobicContact CD2-CE2 4.09Å; L865-F880 HydrophobicContact CD2-CG 4.17Å; L865-F880 HydrophobicContact CD2-CZ 4.12Å; L865-L884 HydrophobicContact CD1-CD2 4Å |
| 866 | E | 36.2 | Very low | 36.3 | Very low | 110 Ų | 110 | 94.9 Ų | 94.9 | 51% | 0.514 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -60.4 | -22.1 | -178.5 | -66.9 | 169 | -174 | 0 | 0 | 113.5 | N864 L873 | N864-E866 VanDerWaalsContact C-N 3.27Å; N864-E866 PolarHBondContact O-N 2.88Å; E866-L873 HydrophobicContact CB-CD1 4.2Å; E866-L873 VanDerWaalsContact O-CD1 3.28Å; E866-L873 WeakPolarHBondContact O-CD1 3.44Å |
| 867 | N | 35.4 | Very low | 37.1 | Very low | 145 Ų | 145 | 93.7 Ų | 93.7 | 78% | 0.775 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -97.2 | 5.3 | 177 | -66.9 | -76.6 | 0 | 0 | 0 | 113.4 | N864 L865 | N864-N867 PolarHBondContact O-N 3.22Å; L865-N867 PolarHBondContact O-N 3.04Å; L865-N867 VanDerWaalsContact O-N 3.1Å |
| 868 | S | 38 | Very low | 38.7 | Very low | 37 Ų | 37 | 87.2 Ų | 87.2 | 26% | 0.259 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -109 | -4.4 | -177.3 | 67.9 | 0 | 0 | 0 | 0 | 114.8 | L847 S848 L865 | L847-S868 WeakPolarHBondContact CD2-OG 3.26Å; S848-S868 PolarHBondContact N-O 2.89Å; L865-S868 PolarHBondContact O-N 2.86Å; L865-S868 PolarHBondContact O-OG 3.02Å |
| 869 | F | 34.3 | Very low | 40.4 | Very low | 31 Ų | 31 | 82.3 Ų | 82.3 | 14% | 0.136 | 44% | 0.435 | C | S | . | . | trans | -96.7 | 140.4 | 167.4 | -70.5 | -89.4 | 0 | 0 | 0 | 109.8 | L846 L847 F871 L873 I878 F880 | L846-F869 HydrophobicContact CD2-CE1 4.37Å; L846-F869 HydrophobicContact CD2-CZ 4.01Å; L847-F869 HydrophobicContact CD2-CE2 3.67Å; L847-F869 HydrophobicContact CD2-CZ 3.83Å; L847-F869 HydrophobicContact CG-CE2 4.5Å; L847-F869 HydrophobicContact CG-CZ 4.17Å; F869-F871 VanDerWaalsContact C-N 3.3Å; F869-L873 HydrophobicContact CB-CD1 4.17Å; F869-L873 HydrophobicContact CD2-CD1 4.46Å; F869-I878 HydrophobicContact CD1-CD1 4.42Å; F869-I878 HydrophobicContact CE1-CD1 4.22Å; F869-I878 HydrophobicContact CE2-CD1 4.36Å; F869-I878 HydrophobicContact CZ-CD1 4.19Å; F869-F880 HydrophobicContact CZ-CE2 4.32Å | ||
| 870 | E | 38.9 | Very low | 42.3 | Very low | 96 Ų | 96 | 78.7 Ų | 78.7 | 45% | 0.449 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -82.5 | -11.5 | -176.4 | -160.9 | 120 | -159.2 | 0 | 0 | 112.9 | S848 K850 | S848-E870 PolarHBondContact OG-OE2 3.3Å; K850-E870 WeakPolarHBondContact CE-OE1 3.44Å; K850-E870 WeakPolarHBondContact CE-OE2 3.38Å; K850-E870 IonicContact NZ-OE1 3.23Å; K850-E870 PolarHBondContact NZ-OE1 3.42Å; K850-E870 IonicContact NZ-OE2 2.86Å; K850-E870 PolarHBondContact NZ-OE2 2.86Å |
| 871 | F | 38.6 | Very low | 44 | Very low | 46 Ų | 46 | 78.2 Ų | 78.2 | 20% | 0.202 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -90.8 | 155 | -176.3 | -54.5 | -81.1 | 0 | 0 | 0 | 111.9 | T515 L844 F869 L873 | T515-F871 HydrophobicContact CG2-CD1 3.8Å; T515-F871 HydrophobicContact CG2-CE1 4.03Å; L844-F871 HydrophobicContact CD2-CE1 3.94Å; L844-F871 HydrophobicContact CD2-CE2 4.05Å; L844-F871 HydrophobicContact CD2-CZ 3.6Å; F869-F871 VanDerWaalsContact C-N 3.3Å; F871-L873 PolarHBondContact O-N 3.33Å |
| 872 | S | 40 | Very low | 45.4 | Very low | 54 Ų | 54 | 73.3 Ų | 73.3 | 38% | 0.378 | 38% | 0.383 | S | S | . | . | trans | -73.4 | 92.9 | 178.9 | 73.3 | 0 | 0 | 0 | 0 | 111.3 | E519 N874 Q875 | E519-S872 PolarHBondContact OE1-OG 2.81Å; S872-N874 PolarHBondContact O-N 3.39Å; S872-Q875 PolarHBondContact O-N 2.94Å; S872-Q875 VanDerWaalsContact O-N 3.1Å | ||
| 873 | L | 33.7 | Very low | 46.6 | Very low | 52 Ų | 52 | 67.8 Ų | 67.8 | 27% | 0.272 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -58 | -14.9 | -173 | -95.9 | 161.9 | 0 | 0 | 0 | 115.2 | E866 F869 F871 Q875 W876 I878 | E866-L873 HydrophobicContact CB-CD1 4.2Å; E866-L873 VanDerWaalsContact O-CD1 3.28Å; E866-L873 WeakPolarHBondContact O-CD1 3.44Å; F869-L873 HydrophobicContact CB-CD1 4.17Å; F869-L873 HydrophobicContact CD2-CD1 4.46Å; F871-L873 PolarHBondContact O-N 3.33Å; L873-Q875 PolarHBondContact O-N 2.84Å; L873-W876 HydrophobicContact CD2-CB 4.25Å; L873-W876 PolarHBondContact O-N 2.76Å; L873-I878 HydrophobicContact CD2-CD1 4.02Å; L873-I878 HydrophobicContact CD2-CG1 4.29Å |
| 874 | N | 40.1 | Very low | 47.7 | Very low | 170 Ų | 170 | 67.7 Ų | 67.7 | 91% | 0.909 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -56.3 | -13 | 170.3 | -65.2 | 0.4 | 0 | 0 | 0 | 114.2 | S872 | S872-N874 PolarHBondContact O-N 3.39Š|
| 875 | Q | 44 | Very low | 48.6 | Very low | 95 Ų | 95 | 66.8 Ų | 66.8 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -115.8 | -10.9 | 178.4 | -56.1 | -172.9 | -5.8 | 0 | 0 | 114.6 | P648 S872 L873 | P648-Q875 HydrophobicContact CB-CB 4.04Å; S872-Q875 PolarHBondContact O-N 2.94Å; S872-Q875 VanDerWaalsContact O-N 3.1Å; L873-Q875 PolarHBondContact O-N 2.84Å |
| 876 | W | 51.9 | Low | 49.2 | Very low | 17 Ų | 17 | 70.3 Ų | 70.3 | 6% | 0.064 | 36% | 0.363 | C | S | . | . | trans | -115.8 | 120.1 | -170.6 | -68.1 | 76.1 | 0 | 0 | 0 | 110.9 | I518 I645 L647 P648 L844 L873 | I518-W876 HydrophobicContact CG2-CH2 3.78Å; I518-W876 HydrophobicContact CG2-CZ2 3.58Å; I645-W876 HydrophobicContact CG2-CE3 3.91Å; I645-W876 HydrophobicContact CG2-CZ3 3.99Å; L647-W876 HydrophobicContact CD2-CH2 3.58Å; L647-W876 HydrophobicContact CD2-CZ3 3.52Å; L647-W876 HydrophobicContact CG-CZ3 4.27Å; P648-W876 HydrophobicContact CG-CZ2 4.44Å; L844-W876 HydrophobicContact CD1-CH2 3.81Å; L844-W876 HydrophobicContact CD1-CZ3 4.14Å; L844-W876 HydrophobicContact CD2-CH2 3.86Å; L844-W876 HydrophobicContact CD2-CZ2 4.46Å; L873-W876 HydrophobicContact CD2-CB 4.25Å; L873-W876 PolarHBondContact O-N 2.76Å | ||
| 877 | V | 48.2 | Very low | 49.7 | Very low | 99 Ų | 99 | 69.5 Ų | 69.5 | 60% | 0.6 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 112.7 | 176.5 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | Q646 | Q646-V877 HydrophobicContact CB-CB 4.25Å; Q646-V877 PolarHBondContact N-O 2.8Å; Q646-V877 PolarHBondContact O-N 3.24Å |
| 878 | I | 60.4 | Low | 50 | Low | 42 Ų | 42 | 68.5 Ų | 68.5 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116 | 178.1 | -45.6 | -177.7 | 0 | 0 | 0 | 110.1 | I643 R644 I645 F869 L873 F880 | I643-I878 HydrophobicContact CG2-CG2 4.34Å; R644-I878 CarbonylContact O-C 3.56Å; R644-I878 WeakPolarHBondContact O-CA 3.36Å; I645-I878 HydrophobicContact CG1-CG2 4.08Å; F869-I878 HydrophobicContact CD1-CD1 4.42Å; F869-I878 HydrophobicContact CE1-CD1 4.22Å; F869-I878 HydrophobicContact CE2-CD1 4.36Å; F869-I878 HydrophobicContact CZ-CD1 4.19Å; L873-I878 HydrophobicContact CD2-CD1 4.02Å; L873-I878 HydrophobicContact CD2-CG1 4.29Å; I878-F880 HydrophobicContact CG2-CD2 3.67Å; I878-F880 HydrophobicContact CG2-CE2 3.87Å |
| 879 | E | 63.1 | Low | 50.2 | Low | 79 Ų | 79 | 72.3 Ų | 72.3 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 125.6 | 173.7 | -170.5 | -174.2 | 173.4 | 0 | 0 | 109.9 | L642 I643 R644 | L642-E879 HydrophobicContact CD1-CG 4.44Å; I643-E879 WeakPolarHBondContact CA-O 3.31Å; R644-E879 HydrophobicContact CB-CB 4.14Å; R644-E879 IonicContact CZ-OE2 3.21Å; R644-E879 PolarHBondContact N-O 2.8Å; R644-E879 IonicContact NH1-OE2 3.02Å; R644-E879 PolarHBondContact NH1-OE2 2.88Å; R644-E879 PolarHBondContact O-N 2.94Å |
| 880 | F | 67.8 | Low | 50.3 | Low | 40 Ų | 40 | 81.8 Ų | 81.8 | 18% | 0.175 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 111.4 | -175.6 | -113 | -84.7 | 0 | 0 | 0 | 111.5 | L635 I643 L846 L865 F869 I878 | L635-F880 HydrophobicContact CD2-CE1 3.75Å; L635-F880 HydrophobicContact CD2-CZ 4.27Å; I643-F880 HydrophobicContact CD1-CD1 4.21Å; I643-F880 HydrophobicContact CD1-CE1 3.58Å; I643-F880 HydrophobicContact CD1-CZ 3.78Å; I643-F880 HydrophobicContact CG1-CD1 4.05Å; I643-F880 HydrophobicContact CG1-CE1 3.93Å; I643-F880 HydrophobicContact CG1-CZ 4.27Å; I643-F880 HydrophobicContact CG2-CD2 4.12Å; I643-F880 HydrophobicContact CG2-CE2 3.9Å; I643-F880 HydrophobicContact CG2-CZ 4.16Å; L846-F880 HydrophobicContact CD2-CE2 3.99Å; L846-F880 HydrophobicContact CD2-CZ 3.61Å; L865-F880 HydrophobicContact CD2-CD1 4.22Å; L865-F880 HydrophobicContact CD2-CD2 4.1Å; L865-F880 HydrophobicContact CD2-CE1 4.19Å; L865-F880 HydrophobicContact CD2-CE2 4.09Å; L865-F880 HydrophobicContact CD2-CG 4.17Å; L865-F880 HydrophobicContact CD2-CZ 4.12Å; F869-F880 HydrophobicContact CZ-CE2 4.32Å; I878-F880 HydrophobicContact CG2-CD2 3.67Å; I878-F880 HydrophobicContact CG2-CE2 3.87Å |
| 881 | T | 67.1 | Low | 50.3 | Low | 63 Ų | 63 | 85.1 Ų | 85.1 | 39% | 0.387 | 42% | 0.422 | S | S | . | . | trans | -120.3 | -16.5 | 173.2 | 66.3 | 0 | 0 | 0 | 0 | 113.9 | Q641 L642 | Q641-T881 WeakPolarHBondContact CG-O 3.26Å; Q641-T881 PolarHBondContact NE2-O 3.04Å; L642-T881 PolarHBondContact N-OG1 2.86Å; L642-T881 PolarHBondContact O-N 2.89Å; L642-T881 VanDerWaalsContact O-N 3.08Å; L642-T881 PolarHBondContact O-OG1 3.32Å | ||
| 882 | A | 63.4 | Low | 50.4 | Low | 13 Ų | 13 | 89.3 Ų | 89.3 | 11% | 0.107 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -58.5 | 152.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F637 I643 | F637-A882 HydrophobicContact CD1-CB 4.06Å; F637-A882 HydrophobicContact CE1-CB 3.84Å; F637-A882 HydrophobicContact CE2-CB 4.41Å; F637-A882 HydrophobicContact CG-CB 4.45Å; F637-A882 HydrophobicContact CZ-CB 4.03Å; I643-A882 HydrophobicContact CD1-CB 4.11Å; I643-A882 HydrophobicContact CG1-CB 3.9Å |
| 883 | Q | 63 | Low | 50.7 | Low | 67 Ų | 67 | 90.9 Ų | 90.9 | 31% | 0.313 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 120.1 | 175.7 | -81.7 | 173 | 15 | 0 | 0 | 110 | H636 F885 S895 | H636-Q883 HydrophobicContact CB-CB 4.14Å; H636-Q883 PolarHBondContact N-O 3.26Å; H636-Q883 PolarHBondContact O-N 3.24Å; Q883-F885 HydrophobicContact CB-CE2 3.97Å; Q883-F885 HydrophobicContact CB-CZ 4.16Å; Q883-S895 PolarHBondContact OE1-OG 2.92Å |
| 884 | L | 60.5 | Low | 51.7 | Low | 65 Ų | 65 | 91.1 Ų | 91.1 | 34% | 0.34 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 122.9 | 174.7 | -178.4 | 66.4 | 0 | 0 | 0 | 110.6 | P633 L635 L847 L865 | P633-L884 HydrophobicContact CB-CD1 3.79Å; L635-L884 HydrophobicContact CD2-CD1 3.77Å; L847-L884 HydrophobicContact CD1-CD1 3.63Å; L847-L884 HydrophobicContact CD1-CD2 4.27Å; L865-L884 HydrophobicContact CD1-CD2 4Å |
| 885 | F | 57.1 | Low | 52.8 | Low | 46 Ų | 46 | 84.7 Ų | 84.7 | 20% | 0.202 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.1 | 172.2 | -66.6 | -64.4 | 0 | 0 | 0 | 111 | I634 H636 Q883 P893 | I634-F885 PolarHBondContact N-O 3.36Å; I634-F885 PolarHBondContact O-N 3.29Å; H636-F885 HydrophobicContact CB-CD2 3.76Å; H636-F885 HydrophobicContact CB-CE2 3.52Å; H636-F885 AromaticContact CG-CE2 3.95Å; Q883-F885 HydrophobicContact CB-CE2 3.97Å; Q883-F885 HydrophobicContact CB-CZ 4.16Å; F885-P893 HydrophobicContact CD1-CB 4.32Å; F885-P893 HydrophobicContact CD1-CG 4.02Å; F885-P893 HydrophobicContact CE1-CB 4Å; F885-P893 HydrophobicContact CE1-CG 4.21Å |
| 886 | Q | 50.6 | Low | 54.2 | Low | 109 Ų | 109 | 82.1 Ų | 82.1 | 51% | 0.509 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 115.5 | 174.2 | -172.9 | 174.8 | 6.9 | 0 | 0 | 108.8 | S631 N888 | S631-Q886 VanDerWaalsContact OG-CG 3.27Å; S631-Q886 WeakPolarHBondContact OG-CG 3.24Å; S631-Q886 PolarHBondContact OG-NE2 2.82Å; Q886-N888 PolarHBondContact O-N 3.48Å |
| 887 | Y | 47.4 | Very low | 55.1 | Low | 94 Ų | 94 | 82 Ų | 82 | 37% | 0.369 | 40% | 0.402 | S | S | . | . | trans | -78.2 | 88.1 | -166 | -139.2 | -95.5 | 0 | 0 | 0 | 113 | I634 R892 | I634-Y887 HydrophobicContact CD1-CD2 3.8Å; I634-Y887 HydrophobicContact CD1-CE2 4.31Å; Y887-R892 HydrophobicContact CE2-CG 3.85Å; Y887-R892 WeakPolarHBondContact OH-CG 3.46Å; Y887-R892 PolarHBondContact OH-NE 3.36Å | ||
| 888 | N | 42.1 | Very low | 56.5 | Low | 124 Ų | 124 | 79.2 Ų | 79.2 | 66% | 0.663 | 38% | 0.382 | S | S | * | . | trans | -78.2 | 122.2 | 164.8 | -88.1 | -49.4 | 0 | 0 | 0 | 109.8 | Q886 R890 H891 | Q886-N888 PolarHBondContact O-N 3.48Å; N888-R890 PolarHBondContact O-N 2.85Å; N888-H891 PolarHBondContact O-N 3.45Å | ||
| 889 | V | 41.9 | Very low | 57.7 | Low | 117 Ų | 117 | 78.8 Ų | 78.8 | 71% | 0.709 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 8.5 | -158.4 | -178.8 | 0 | 0 | 0 | 0 | 116.8 | ||
| 890 | R | 36.1 | Very low | 58.9 | Low | 229 Ų | 229 | 75 Ų | 75 | 86% | 0.864 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | -30.8 | -177.7 | -66.9 | -171.5 | 175.3 | -175.2 | -2.1 | 116.3 | N888 | N888-R890 PolarHBondContact O-N 2.85Š|
| 891 | H | 39.2 | Very low | 60 | Low | 167 Ų | 167 | 74.5 Ų | 74.5 | 77% | 0.773 | 36% | 0.363 | S | S | * | . | trans | -140.7 | 119.5 | -175.6 | -63.5 | -22.6 | 0 | 0 | 0 | 111.6 | N888 P893 | N888-H891 PolarHBondContact O-N 3.45Å; H891-P893 WeakPolarHBondContact O-CD 3.27Å | ||
| 892 | R | 41.8 | Very low | 61.1 | Low | 133 Ų | 133 | 71.6 Ų | 71.6 | 50% | 0.502 | 34% | 0.344 | S | S | . | . | trans | -67.6 | 125.2 | 159.6 | -86.4 | -170.6 | 172.1 | -157.6 | -5.7 | 108.1 | Y887 I894 | Y887-R892 HydrophobicContact CE2-CG 3.85Å; Y887-R892 WeakPolarHBondContact OH-CG 3.46Å; Y887-R892 PolarHBondContact OH-NE 3.36Å; R892-I894 PolarHBondContact O-N 3.45Å | ||
| 893 | P | 45.5 | Very low | 61.9 | Low | 88 Ų | 88 | 74 Ų | 74 | 57% | 0.571 | 35% | 0.352 | S | S | * | . | trans | -66.1 | 114.5 | 162 | -13.3 | 29.4 | 0 | 0 | 0 | 107.4 | F885 H891 S895 | F885-P893 HydrophobicContact CD1-CB 4.32Å; F885-P893 HydrophobicContact CD1-CG 4.02Å; F885-P893 HydrophobicContact CE1-CB 4Å; F885-P893 HydrophobicContact CE1-CG 4.21Å; H891-P893 WeakPolarHBondContact O-CD 3.27Å; P893-S895 PolarHBondContact O-N 2.96Å; P893-S895 VanDerWaalsContact O-N 3.13Å | ||
| 894 | I | 55 | Low | 62.8 | Low | 56 Ų | 56 | 73.6 Ų | 73.6 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | trans | -78.9 | 103.5 | -179.2 | -56.5 | 167.3 | 0 | 0 | 0 | 107.6 | R892 Y896 Q1010 T1011 | R892-I894 PolarHBondContact O-N 3.45Å; I894-Y896 HydrophobicContact CB-CE2 3.96Å; I894-Y896 HydrophobicContact CG2-CD2 4.22Å; I894-Y896 HydrophobicContact CG2-CE1 4.45Å; I894-Y896 HydrophobicContact CG2-CE2 3.48Å; I894-Y896 VanDerWaalsContact CG2-CE2 3.48Å; I894-Y896 VanDerWaalsContact O-CD2 3.3Å; I894-Y896 WeakPolarHBondContact O-CD2 3.47Å; I894-Y896 WeakPolarHBondContact O-CE2 3.49Å; I894-Q1010 HydrophobicContact CD1-CB 3.86Å; I894-Q1010 HydrophobicContact CG2-CB 4.03Å; I894-T1011 HydrophobicContact CD1-CG2 3.47Å; I894-T1011 VanDerWaalsContact CD1-CG2 3.47Å | ||
| 895 | S | 62.2 | Low | 64 | Low | 36 Ų | 36 | 72.4 Ų | 72.4 | 25% | 0.252 | 35% | 0.347 | S | S | . | . | trans | -69.7 | 143.8 | 171 | -154 | 0 | 0 | 0 | 0 | 110.3 | Q883 P893 | Q883-S895 PolarHBondContact OE1-OG 2.92Å; P893-S895 PolarHBondContact O-N 2.96Å; P893-S895 VanDerWaalsContact O-N 3.13Å | ||
| 896 | Y | 74.1 | Confident | 65.2 | Low | 40 Ų | 40 | 74.9 Ų | 74.9 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | trans | -126.2 | 123.7 | 172.9 | -70.7 | -90.4 | 0 | 0 | 0 | 107 | I894 P899 W988 Q1010 A1066 N1067 | I894-Y896 HydrophobicContact CB-CE2 3.96Å; I894-Y896 HydrophobicContact CG2-CD2 4.22Å; I894-Y896 HydrophobicContact CG2-CE1 4.45Å; I894-Y896 HydrophobicContact CG2-CE2 3.48Å; I894-Y896 VanDerWaalsContact CG2-CE2 3.48Å; I894-Y896 VanDerWaalsContact O-CD2 3.3Å; I894-Y896 WeakPolarHBondContact O-CD2 3.47Å; I894-Y896 WeakPolarHBondContact O-CE2 3.49Å; Y896-P899 WeakPolarHBondContact O-CD 3.34Å; Y896-W988 AromaticContact CD1-CD2 3.99Å; Y896-W988 HydrophobicContact CD1-CD2 3.99Å; Y896-W988 HydrophobicContact CD1-CE3 4.25Å; Y896-W988 HydrophobicContact CD1-CG 4.33Å; Y896-W988 HydrophobicContact CD1-CZ2 4.32Å; Y896-W988 AromaticContact CD2-NE1 3.87Å; Y896-W988 HydrophobicContact CE1-CB 3.81Å; Y896-W988 AromaticContact CE1-CD1 3.95Å; Y896-W988 AromaticContact CE1-CD2 3.69Å; Y896-W988 HydrophobicContact CE1-CD2 3.69Å; Y896-W988 HydrophobicContact CE1-CE3 4.12Å; Y896-W988 AromaticContact CE1-CG 3.6Å; Y896-W988 HydrophobicContact CE1-CG 3.6Å; Y896-W988 AromaticContact CE2-CD1 3.54Å; Y896-W988 HydrophobicContact CE2-CD2 4.49Å; Y896-W988 HydrophobicContact CE2-CG 4.04Å; Y896-W988 AromaticContact CE2-NE1 3.67Å; Y896-W988 HydrophobicContact CG-CZ2 4.28Å; Y896-W988 AromaticContact CZ-CD1 3.4Å; Y896-W988 VanDerWaalsContact CZ-CD1 3.4Å; Y896-W988 AromaticContact CZ-CD2 3.98Å; Y896-W988 AromaticContact CZ-CG 3.44Å; Y896-W988 VanDerWaalsContact CZ-CG 3.44Å; Y896-W988 AromaticContact CZ-NE1 3.87Å; Y896-W988 WeakPolarHBondContact OH-CB 3.35Å; Y896-Q1010 VanDerWaalsContact CE1-OE1 3.24Å; Y896-Q1010 PolarHBondContact OH-OE1 2.77Å; Y896-A1066 HydrophobicContact CD1-CB 4.13Å; Y896-A1066 HydrophobicContact CG-CB 4.48Å; Y896-N1067 WeakPolarHBondContact CA-OD1 3.48Å; Y896-N1067 VanDerWaalsContact CD1-ND2 3.33Å; Y896-N1067 WeakPolarHBondContact CD1-ND2 3.18Å | ||
| 897 | D | 70.5 | Confident | 67 | Low | 14 Ų | 14 | 69.7 Ų | 69.7 | 8% | 0.075 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -78.9 | 139 | 178.4 | -89.5 | -34 | 0 | 0 | 0 | 111.8 | N638 P899 N1067 T1075 | N638-D897 WeakPolarHBondContact CB-OD1 3.26Å; N638-D897 WeakPolarHBondContact CB-OD2 3.38Å; N638-D897 PolarHBondContact ND2-OD1 2.96Å; D897-P899 VanDerWaalsContact O-N 3.08Å; D897-N1067 PolarHBondContact N-OD1 2.81Å; D897-N1067 PolarHBondContact O-N 2.95Å; D897-T1075 HydrophobicContact CB-CG2 3.75Å; D897-T1075 WeakPolarHBondContact OD2-CB 3.49Å; D897-T1075 WeakPolarHBondContact OD2-CG2 3.43Å; D897-T1075 PolarHBondContact OD2-OG1 2.98Å |
| 898 | F | 77.9 | Confident | 69.1 | Low | 42 Ų | 42 | 66.5 Ų | 66.5 | 18% | 0.184 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 35.8 | 51.5 | 179 | -47 | -69.5 | 0 | 0 | 0 | 113.2 | L640 I900 T1075 N1077 | L640-F898 HydrophobicContact CD1-CE1 4.19Å; L640-F898 HydrophobicContact CD1-CE2 4.42Å; L640-F898 HydrophobicContact CD1-CZ 3.65Å; L640-F898 HydrophobicContact CG-CZ 4.27Å; F898-I900 PolarHBondContact O-N 2.92Å; F898-T1075 WeakPolarHBondContact CD2-O 3.23Å; F898-T1075 VanDerWaalsContact CE2-O 3.23Å; F898-T1075 WeakPolarHBondContact CE2-O 3.32Å; F898-N1077 HydrophobicContact CD1-CB 3.92Å; F898-N1077 HydrophobicContact CD2-CB 4.34Å; F898-N1077 HydrophobicContact CE1-CB 4.28Å; F898-N1077 HydrophobicContact CG-CB 3.97Å |
| 899 | P | 85.9 | Confident | 71.5 | Confident | 32 Ų | 32 | 60.6 Ų | 60.6 | 21% | 0.208 | 29% | 0.29 | C | S | . | . | trans | -60.6 | 137.1 | 177.4 | 27.7 | -34.3 | 0 | 0 | 0 | 108 | Y896 D897 W988 I1065 A1066 Y1096 G1097 C1098 | Y896-P899 WeakPolarHBondContact O-CD 3.34Å; D897-P899 VanDerWaalsContact O-N 3.08Å; P899-W988 HydrophobicContact CB-CH2 4.43Å; P899-I1065 CarbonylContact C-O 3.58Å; P899-I1065 WeakPolarHBondContact CA-O 3.4Å; P899-A1066 HydrophobicContact CB-CB 3.93Å; P899-Y1096 CarbonylContact O-C 3.5Å; P899-Y1096 VanDerWaalsContact O-CA 3.26Å; P899-Y1096 WeakPolarHBondContact O-CA 3.43Å; P899-G1097 PolarHBondContact O-N 3.22Å; P899-C1098 HydrophobicContact CB-CB 4.5Å | ||
| 900 | I | 88.7 | Confident | 73.8 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 154.6 | 174.3 | 60.3 | 167.6 | 0 | 0 | 0 | 109.8 | F898 F902 L909 C1064 I1065 L1078 L1079 I1094 V1095 Y1096 G1097 | F898-I900 PolarHBondContact O-N 2.92Å; I900-F902 HydrophobicContact CD1-CE2 3.54Å; I900-F902 HydrophobicContact CD1-CZ 3.73Å; I900-F902 HydrophobicContact CG1-CE2 3.98Å; I900-L909 HydrophobicContact CD1-CD1 3.53Å; I900-C1064 CarbonylContact O-C 3.34Å; I900-C1064 WeakPolarHBondContact O-CA 3.3Å; I900-C1064 VanDerWaalsContact O-CB 3.28Å; I900-C1064 WeakPolarHBondContact O-CB 2.78Å; I900-I1065 HydrophobicContact CG1-CB 4.16Å; I900-I1065 WeakPolarHBondContact CG1-O 3.34Å; I900-I1065 PolarHBondContact N-O 2.82Å; I900-I1065 PolarHBondContact O-N 2.86Å; I900-L1078 HydrophobicContact CD1-CB 4.01Å; I900-L1078 HydrophobicContact CD1-CD1 3.67Å; I900-L1078 HydrophobicContact CG1-CD1 4.42Å; I900-L1079 HydrophobicContact CG2-CD1 3.73Å; I900-L1079 HydrophobicContact CG2-CG 4.08Å; I900-I1094 HydrophobicContact CD1-CG2 4.39Å; I900-V1095 CarbonylContact C-O 3.52Å; I900-V1095 WeakPolarHBondContact CA-O 3.4Å; I900-V1095 WeakPolarHBondContact CB-O 3.35Å; I900-Y1096 HydrophobicContact CG2-CD1 3.82Å; I900-Y1096 HydrophobicContact CG2-CE1 4.23Å; I900-G1097 CarbonylContact C-O 3.31Å |
| 901 | Q | 89.1 | Confident | 76.2 | Confident | 30 Ų | 30 | 46 Ų | 46 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.4 | 176.3 | -171.8 | -179.5 | 37.8 | 0 | 0 | 109.1 | G1063 I1094 V1095 N1148 | Q901-G1063 CarbonylContact C-O 3.5Å; Q901-G1063 VanDerWaalsContact CA-O 3.26Å; Q901-G1063 WeakPolarHBondContact CA-O 3.38Å; Q901-G1063 WeakPolarHBondContact CG-O 3.21Å; Q901-I1094 WeakPolarHBondContact O-CA 3.47Å; Q901-V1095 PolarHBondContact N-O 2.8Å; Q901-V1095 WeakPolarHBondContact O-CG2 3.38Å; Q901-V1095 PolarHBondContact O-N 3Å; Q901-V1095 VanDerWaalsContact O-N 3.17Å; Q901-N1148 WeakPolarHBondContact CB-ND2 3.41Å; Q901-N1148 PolarHBondContact N-ND2 3.26Å; Q901-N1148 PolarHBondContact OE1-OD1 2.69Å |
| 902 | F | 90.2 | Very high | 78 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 106.1 | 167.7 | -63 | -102.4 | 0 | 0 | 0 | 106 | I900 L909 I1040 F1061 Q1062 G1063 I1065 I1094 | I900-F902 HydrophobicContact CD1-CE2 3.54Å; I900-F902 HydrophobicContact CD1-CZ 3.73Å; I900-F902 HydrophobicContact CG1-CE2 3.98Å; F902-L909 HydrophobicContact CE1-CG 4.24Å; F902-L909 HydrophobicContact CZ-CD1 4.25Å; F902-L909 HydrophobicContact CZ-CG 4.22Å; F902-I1040 WeakPolarHBondContact CE1-O 3.35Å; F902-I1040 HydrophobicContact CZ-CG2 4.18Å; F902-F1061 HydrophobicContact CB-CD1 4.32Å; F902-F1061 AromaticContact CD2-CD1 3.88Å; F902-F1061 HydrophobicContact CD2-CD1 3.88Å; F902-F1061 HydrophobicContact CD2-CE1 4.16Å; F902-F1061 HydrophobicContact CG-CD1 4.22Å; F902-Q1062 WeakPolarHBondContact O-CA 3.25Å; F902-Q1062 WeakPolarHBondContact O-CG 3.24Å; F902-G1063 PolarHBondContact N-O 2.98Å; F902-G1063 PolarHBondContact O-N 2.78Å; F902-G1063 VanDerWaalsContact O-N 3.08Å; F902-I1065 HydrophobicContact CD2-CD1 4.5Å; F902-I1065 HydrophobicContact CE2-CB 4.24Å; F902-I1065 HydrophobicContact CE2-CD1 3.77Å; F902-I1065 HydrophobicContact CE2-CG1 4.03Å; F902-I1065 HydrophobicContact CZ-CD1 4.33Å; F902-I1094 HydrophobicContact CD1-CD1 3.9Å; F902-I1094 HydrophobicContact CD1-CG1 3.97Å; F902-I1094 HydrophobicContact CD1-CG2 4.39Å; F902-I1094 HydrophobicContact CE1-CD1 3.77Å; F902-I1094 HydrophobicContact CE1-CG1 4.25Å; F902-I1094 HydrophobicContact CE1-CG2 4.19Å; F902-I1094 HydrophobicContact CZ-CG2 4.39Å |
| 903 | K | 82.1 | Confident | 79.2 | Confident | 63 Ų | 63 | 36.6 Ų | 36.6 | 27% | 0.274 | 19% | 0.19 | S | C | . | . | trans | -78.3 | -24.1 | 179.4 | -69.8 | -179.9 | -177.3 | 145.8 | 0 | 112.9 | Q1062 D1092 Y1093 V1095 | K903-Q1062 PolarHBondContact O-NE2 3.49Å; K903-D1092 PolarHBondContact NZ-O 3.19Å; K903-Y1093 HydrophobicContact CB-CD1 4.36Å; K903-Y1093 HydrophobicContact CD-CD1 4.36Å; K903-Y1093 PolarHBondContact N-O 3.45Å; K903-V1095 HydrophobicContact CD-CG2 4.03Å; K903-V1095 HydrophobicContact CG-CG2 4.03Å | ||
| 904 | Q | 80.9 | Confident | 79.8 | Confident | 60 Ų | 60 | 38.7 Ų | 38.7 | 28% | 0.28 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -135.8 | 132.7 | -179 | -65.3 | -170.4 | -1.5 | 0 | 0 | 111.1 | K906 C907 Y1093 | Q904-K906 HydrophobicContact CB-CG 4.35Å; Q904-K906 PolarHBondContact O-N 2.86Å; Q904-K906 VanDerWaalsContact O-N 3.11Å; Q904-C907 WeakPolarHBondContact O-CB 3.48Å; Q904-C907 PolarHBondContact O-N 2.66Å; Q904-C907 VanDerWaalsContact O-N 3.08Å; Q904-Y1093 HydrophobicContact CB-CG 4.49Å; Q904-Y1093 VanDerWaalsContact CD-CD2 3.44Å; Q904-Y1093 VanDerWaalsContact CD-CE2 3.46Å; Q904-Y1093 HydrophobicContact CG-CD1 4.18Å; Q904-Y1093 HydrophobicContact CG-CD2 4.1Å; Q904-Y1093 HydrophobicContact CG-CG 3.94Å; Q904-Y1093 VanDerWaalsContact NE2-CE2 3.28Å |
| 905 | S | 85 | Confident | 79.5 | Confident | 39 Ų | 39 | 43.7 Ų | 43.7 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 0.6 | -179.6 | 56.3 | 0 | 0 | 0 | 0 | 115.7 | G1060 | S905-G1060 WeakPolarHBondContact CB-O 3.18Å; S905-G1060 WeakPolarHBondContact O-CA 3.43Å; S905-G1060 PolarHBondContact O-N 2.92Å |
| 906 | K | 82.6 | Confident | 79 | Confident | 99 Ų | 99 | 44.8 Ų | 44.8 | 43% | 0.43 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -11.3 | 168 | 71 | 164.2 | 177.9 | 176.8 | 0 | 113.8 | Q904 P1086 D1089 | Q904-K906 HydrophobicContact CB-CG 4.35Å; Q904-K906 PolarHBondContact O-N 2.86Å; Q904-K906 VanDerWaalsContact O-N 3.11Å; K906-P1086 WeakPolarHBondContact O-CD 3.07Å; K906-D1089 IonicContact NZ-OD2 3.15Å; K906-D1089 PolarHBondContact NZ-OD2 2.81Å |
| 907 | C | 88.5 | Confident | 77.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -102.1 | 133.7 | -172.5 | -61.4 | 0 | 0 | 0 | 0 | 110.8 | Q904 Y1085 C1090 I1094 | Q904-C907 WeakPolarHBondContact O-CB 3.48Å; Q904-C907 PolarHBondContact O-N 2.66Å; Q904-C907 VanDerWaalsContact O-N 3.08Å; C907-Y1085 WeakPolarHBondContact CA-O 3.27Å; C907-C1090 WeakPolarHBondContact CA-SG 3.37Å; C907-C1090 HydrophobicContact CB-CB 3.58Å; C907-C1090 WeakPolarHBondContact CB-SG 3.2Å; C907-C1090 WeakPolarHBondContact SG-CB 3.46Å; C907-C1090 CovalentContact SG-SG 2.03Å; C907-C1090 PolarHBondContact SG-SG 3.3Å; C907-I1094 HydrophobicContact CB-CD1 3.92Å; C907-I1094 HydrophobicContact CB-CG1 3.84Å | ||
| 908 | Y | 92.2 | Very high | 76.7 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 10% | 0.102 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 160.4 | 176.9 | 68.1 | -82.8 | 0 | 0 | 0 | 112.2 | N1039 C1043 S1044 Y1085 | Y908-N1039 HydrophobicContact CD2-CB 4.11Å; Y908-N1039 HydrophobicContact CE2-CB 4.46Å; Y908-N1039 WeakPolarHBondContact CE2-OD1 3.21Å; Y908-C1043 WeakPolarHBondContact CE1-O 3.17Å; Y908-S1044 WeakPolarHBondContact OH-CA 3.45Å; Y908-S1044 VanDerWaalsContact OH-CB 3.32Å; Y908-S1044 WeakPolarHBondContact OH-CB 3.31Å; Y908-Y1085 HydrophobicContact CE2-CD2 4.25Å; Y908-Y1085 HydrophobicContact CE2-CG 4.24Å; Y908-Y1085 PolarHBondContact N-O 2.9Å; Y908-Y1085 PolarHBondContact O-N 3.44Å |
| 909 | L | 93 | Very high | 75.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 149.5 | 170.8 | -67.4 | -177.9 | 0 | 0 | 0 | 110.2 | I900 F902 N1039 I1040 L1078 A1082 K1083 V1084 I1094 | I900-L909 HydrophobicContact CD1-CD1 3.53Å; F902-L909 HydrophobicContact CE1-CG 4.24Å; F902-L909 HydrophobicContact CZ-CD1 4.25Å; F902-L909 HydrophobicContact CZ-CG 4.22Å; L909-N1039 CarbonylContact O-C 3.51Å; L909-N1039 VanDerWaalsContact O-CA 3.28Å; L909-N1039 WeakPolarHBondContact O-CA 3.11Å; L909-I1040 HydrophobicContact CB-CB 4.3Å; L909-I1040 PolarHBondContact N-O 2.79Å; L909-I1040 PolarHBondContact O-N 2.9Å; L909-L1078 HydrophobicContact CD1-CB 3.81Å; L909-A1082 HydrophobicContact CB-CB 3.88Å; L909-A1082 HydrophobicContact CD1-CB 4.3Å; L909-A1082 HydrophobicContact CD2-CB 4.32Å; L909-A1082 HydrophobicContact CG-CB 4.4Å; L909-K1083 CarbonylContact C-O 3.59Å; L909-K1083 WeakPolarHBondContact CA-O 3.28Å; L909-V1084 HydrophobicContact CD2-CB 4.36Å; L909-V1084 HydrophobicContact CD2-CG2 3.59Å; L909-I1094 HydrophobicContact CD1-CG2 4.15Å; L909-I1094 HydrophobicContact CD2-CD1 3.84Å; L909-I1094 HydrophobicContact CD2-CG2 4.02Å; L909-I1094 HydrophobicContact CG-CD1 3.98Å; L909-I1094 HydrophobicContact CG-CG2 4.04Å |
| 910 | S | 89.5 | Confident | 74.3 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 128.1 | 179.9 | -160.9 | 0 | 0 | 0 | 0 | 111.6 | I1037 I1038 N1039 K1083 | S910-I1037 WeakPolarHBondContact OG-CG2 3.33Å; S910-I1038 WeakPolarHBondContact CA-O 3.26Å; S910-N1039 WeakPolarHBondContact CB-OD1 3.27Å; S910-N1039 PolarHBondContact OG-OD1 2.7Å; S910-K1083 PolarHBondContact N-O 2.79Å; S910-K1083 PolarHBondContact O-N 3.2Å |
| 911 | I | 87 | Confident | 73.3 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137.3 | 176.2 | -55.6 | 172 | 0 | 0 | 0 | 108.2 | I1038 I1040 L1078 A1082 | I911-I1038 HydrophobicContact CB-CB 4.31Å; I911-I1038 PolarHBondContact N-O 2.77Å; I911-I1038 PolarHBondContact O-N 3.14Å; I911-I1040 HydrophobicContact CD1-CD1 4Å; I911-L1078 HydrophobicContact CD1-CD2 3.89Å; I911-A1082 HydrophobicContact CD1-CB 4.08Å; I911-A1082 HydrophobicContact CG1-CB 3.43Å; I911-A1082 VanDerWaalsContact CG1-CB 3.43Å |
| 912 | I | 75.9 | Confident | 72.8 | Confident | 92 Ų | 92 | 60.8 Ų | 60.8 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 124.5 | 173 | -48.3 | 178.8 | 0 | 0 | 0 | 108.2 | E914 | I912-E914 HydrophobicContact CB-CG 4.19Å; I912-E914 HydrophobicContact CG2-CG 3.6Å; I912-E914 PolarHBondContact O-N 3.39Å |
| 913 | N | 68.4 | Low | 72.7 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | trans | -84.4 | 94.3 | 172.1 | 176.9 | 14.5 | 0 | 0 | 0 | 110.4 | F916 F1033 S1036 I1038 | N913-F916 WeakPolarHBondContact OD1-CB 3.42Å; N913-F916 WeakPolarHBondContact OD1-CD2 3.35Å; N913-F916 PolarHBondContact OD1-N 3Å; N913-F1033 PolarHBondContact ND2-O 2.96Å; N913-S1036 WeakPolarHBondContact CB-O 3.26Å; N913-S1036 PolarHBondContact N-O 3.39Å; N913-I1038 HydrophobicContact CB-CD1 4.31Å | ||
| 914 | E | 56.8 | Low | 73 | Confident | 132 Ų | 132 | 60.6 Ų | 60.6 | 62% | 0.617 | 31% | 0.306 | S | S | * | . | trans | -99.4 | -11.7 | 179.6 | -62.2 | -175.5 | 172.4 | 0 | 0 | 114.2 | I912 | I912-E914 HydrophobicContact CB-CG 4.19Å; I912-E914 HydrophobicContact CG2-CG 3.6Å; I912-E914 PolarHBondContact O-N 3.39Å | ||
| 915 | H | 49.1 | Very low | 73.5 | Confident | 161 Ų | 161 | 57.9 Ų | 57.9 | 75% | 0.745 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -135.1 | -3.6 | -162.9 | -76.6 | 76.5 | 0 | 0 | 0 | 116.5 | E917 | H915-E917 VanDerWaalsContact C-N 3.29Å; H915-E917 PolarHBondContact O-N 2.96Å |
| 916 | F | 51.8 | Low | 73.8 | Confident | 59 Ų | 59 | 56 Ų | 56 | 26% | 0.259 | 28% | 0.28 | S | S | . | . | trans | -85.1 | 47.7 | -174 | -71.5 | -63 | 0 | 0 | 0 | 116 | N913 N918 V919 F1070 N1071 H1073 | N913-F916 WeakPolarHBondContact OD1-CB 3.42Å; N913-F916 WeakPolarHBondContact OD1-CD2 3.35Å; N913-F916 PolarHBondContact OD1-N 3Å; F916-N918 PolarHBondContact O-N 2.91Å; F916-V919 HydrophobicContact CD1-CG2 4.16Å; F916-F1070 AromaticContact CD2-CD1 3.71Å; F916-F1070 HydrophobicContact CD2-CD1 3.71Å; F916-F1070 AromaticContact CD2-CE1 3.53Å; F916-F1070 HydrophobicContact CD2-CE1 3.53Å; F916-F1070 AromaticContact CE2-CD1 3.55Å; F916-F1070 HydrophobicContact CE2-CD1 3.55Å; F916-F1070 AromaticContact CE2-CE1 3.89Å; F916-F1070 HydrophobicContact CE2-CE1 3.89Å; F916-F1070 HydrophobicContact CG-CD1 4.4Å; F916-F1070 HydrophobicContact CG-CE1 4.14Å; F916-F1070 HydrophobicContact CZ-CD1 4.12Å; F916-N1071 WeakPolarHBondContact CB-ND2 3.22Å; F916-N1071 HydrophobicContact CD1-CB 3.83Å; F916-N1071 HydrophobicContact CE1-CB 3.97Å; F916-N1071 HydrophobicContact CG-CB 4.31Å; F916-N1071 WeakPolarHBondContact CG-ND2 3.47Å; F916-H1073 AromaticContact CE1-CD2 3.48Å; F916-H1073 VanDerWaalsContact CE1-CD2 3.48Å; F916-H1073 WeakPolarHBondContact CE1-CD2 3.4Å; F916-H1073 AromaticContact CE1-NE2 3.36Å; F916-H1073 WeakPolarHBondContact CE1-NE2 3.34Å; F916-H1073 AromaticContact CZ-CD2 3.58Å; F916-H1073 AromaticContact CZ-NE2 3.61Å | ||
| 917 | E | 46.1 | Very low | 74.3 | Confident | 151 Ų | 151 | 51.3 Ų | 51.3 | 71% | 0.706 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -75.6 | 119.5 | 170.6 | -63.5 | -153.5 | 139.2 | 0 | 0 | 111.7 | H915 | H915-E917 VanDerWaalsContact C-N 3.29Å; H915-E917 PolarHBondContact O-N 2.96Å |
| 918 | N | 49.7 | Very low | 74.5 | Confident | 121 Ų | 121 | 53.5 Ų | 53.5 | 65% | 0.647 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 85.9 | 2.8 | 171.2 | -50.2 | -63.3 | 0 | 0 | 0 | 119.2 | F916 K1030 | F916-N918 PolarHBondContact O-N 2.91Å; N918-K1030 PolarHBondContact OD1-NZ 3.12Å |
| 919 | V | 52.4 | Low | 74.3 | Confident | 67 Ų | 67 | 52.5 Ų | 52.5 | 41% | 0.406 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 138.8 | 171 | -164.1 | 0 | 0 | 0 | 0 | 110.5 | F916 N1071 | F916-V919 HydrophobicContact CD1-CG2 4.16Å; V919-N1071 HydrophobicContact CB-CB 4.08Å; V919-N1071 HydrophobicContact CG1-CB 3.82Å; V919-N1071 WeakPolarHBondContact CG1-O 3.48Å |
| 920 | P | 60.8 | Low | 73.9 | Confident | 93 Ų | 93 | 56.3 Ų | 56.3 | 60% | 0.604 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 141.3 | 171.8 | 26.2 | -35.1 | 0 | 0 | 0 | 111.4 | L922 N1071 | P920-L922 PolarHBondContact O-N 2.97Å; P920-N1071 PolarHBondContact O-OD1 2.89Å |
| 921 | L | 68.4 | Low | 73.7 | Confident | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 118.1 | 178.6 | 179.6 | 67.7 | 0 | 0 | 0 | 110.6 | V923 L993 F994 K995 L1003 I1029 F1033 | L921-V923 HydrophobicContact CD1-CG2 3.84Å; L921-L993 HydrophobicContact CD2-CD2 4.28Å; L921-F994 WeakPolarHBondContact O-CA 3.4Å; L921-K995 PolarHBondContact O-N 2.78Å; L921-L1003 HydrophobicContact CD2-CD1 4.12Å; L921-L1003 HydrophobicContact CD2-CD2 4.37Å; L921-L1003 HydrophobicContact CD2-CG 4.48Å; L921-I1029 HydrophobicContact CD2-CG2 4.41Å; L921-F1033 HydrophobicContact CD1-CD1 4.09Å; L921-F1033 HydrophobicContact CD1-CD2 4.36Å; L921-F1033 HydrophobicContact CD1-CE1 3.54Å; L921-F1033 HydrophobicContact CD1-CE2 3.87Å; L921-F1033 HydrophobicContact CD1-CG 4.48Å; L921-F1033 HydrophobicContact CD1-CZ 3.43Å; L921-F1033 VanDerWaalsContact CD1-CZ 3.43Å; L921-F1033 HydrophobicContact CD2-CE2 3.66Å; L921-F1033 HydrophobicContact CD2-CZ 3.58Å; L921-F1033 HydrophobicContact CG-CE2 4.33Å; L921-F1033 HydrophobicContact CG-CZ 4.15Å |
| 922 | L | 78.9 | Confident | 73.7 | Confident | 49 Ų | 49 | 59.5 Ų | 59.5 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 116.6 | 168.2 | 177.2 | 65.8 | 0 | 0 | 0 | 108.2 | P920 E992 L993 F994 F1070 N1071 | P920-L922 PolarHBondContact O-N 2.97Å; L922-E992 HydrophobicContact CD1-CG 4.23Å; L922-L993 CarbonylContact C-O 3.49Å; L922-L993 WeakPolarHBondContact CA-O 3.36Å; L922-F994 HydrophobicContact CD1-CB 3.93Å; L922-F1070 CarbonylContact O-C 3.56Å; L922-F1070 WeakPolarHBondContact O-CA 3.37Å; L922-N1071 PolarHBondContact N-OD1 2.81Å; L922-N1071 PolarHBondContact O-N 2.87Å |
| 923 | V | 86.9 | Confident | 74.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 121.7 | 171.9 | -169.3 | 0 | 0 | 0 | 0 | 108.4 | L921 F925 L937 E992 L993 F1068 F1070 | L921-V923 HydrophobicContact CD1-CG2 3.84Å; V923-F925 HydrophobicContact CG1-CD1 4.41Å; V923-L937 HydrophobicContact CG1-CD2 4.08Å; V923-E992 WeakPolarHBondContact O-CA 3.38Å; V923-L993 HydrophobicContact CB-CB 4.22Å; V923-L993 HydrophobicContact CB-CD2 4.08Å; V923-L993 HydrophobicContact CG2-CD2 3.98Å; V923-L993 PolarHBondContact N-O 2.8Å; V923-L993 PolarHBondContact O-N 2.82Å; V923-F1068 HydrophobicContact CG1-CZ 4.35Å; V923-F1070 HydrophobicContact CB-CD2 4.44Å; V923-F1070 HydrophobicContact CG1-CD2 4.21Å; V923-F1070 HydrophobicContact CG2-CD2 3.66Å; V923-F1070 HydrophobicContact CG2-CE2 3.57Å |
| 924 | K | 88.5 | Confident | 75.3 | Confident | 60 Ų | 60 | 57.2 Ų | 57.2 | 26% | 0.261 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 136 | -178 | -174 | -178.7 | -171.8 | 153 | 0 | 109.3 | T990 I991 E992 F1068 Q1069 | K924-T990 HydrophobicContact CG-CG2 4.15Å; K924-I991 WeakPolarHBondContact CA-O 3.39Å; K924-E992 HydrophobicContact CB-CG 4.31Å; K924-E992 HydrophobicContact CD-CG 4.27Å; K924-E992 WeakPolarHBondContact CD-OE1 3.41Å; K924-E992 WeakPolarHBondContact CE-OE1 3.26Å; K924-E992 HydrophobicContact CG-CB 4.29Å; K924-E992 HydrophobicContact CG-CG 4.11Å; K924-E992 IonicContact NZ-OE1 2.77Å; K924-E992 PolarHBondContact NZ-OE1 3.1Å; K924-F1068 CarbonylContact O-C 3.59Å; K924-F1068 VanDerWaalsContact O-CA 3.3Å; K924-F1068 WeakPolarHBondContact O-CA 3.04Å; K924-Q1069 HydrophobicContact CB-CB 4.25Å; K924-Q1069 PolarHBondContact N-O 2.96Å; K924-Q1069 PolarHBondContact O-N 2.92Å |
| 925 | F | 92.2 | Very high | 77.1 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 149.2 | 170.9 | 60.6 | -85.1 | 0 | 0 | 0 | 110.7 | V923 F927 L936 L937 I950 T990 I991 I1065 F1068 | V923-F925 HydrophobicContact CG1-CD1 4.41Å; F925-F927 HydrophobicContact CD2-CB 4.31Å; F925-F927 HydrophobicContact CE2-CB 4.33Å; F925-F927 HydrophobicContact CE2-CD1 4.31Å; F925-L936 HydrophobicContact CE2-CB 4.44Å; F925-L936 HydrophobicContact CE2-CD2 4.37Å; F925-L936 HydrophobicContact CZ-CB 4.41Å; F925-L937 HydrophobicContact CE1-CB 4.49Å; F925-L937 HydrophobicContact CE1-CD2 4.25Å; F925-L937 HydrophobicContact CZ-CB 4.47Å; F925-I950 HydrophobicContact CE1-CD1 4.03Å; F925-I950 HydrophobicContact CZ-CD1 4.06Å; F925-T990 WeakPolarHBondContact O-CA 3.41Å; F925-I991 HydrophobicContact CE1-CB 4.3Å; F925-I991 HydrophobicContact CE1-CG2 4.37Å; F925-I991 HydrophobicContact CE2-CB 4.47Å; F925-I991 HydrophobicContact CE2-CD1 4.02Å; F925-I991 HydrophobicContact CZ-CB 4.19Å; F925-I991 HydrophobicContact CZ-CD1 3.85Å; F925-I991 HydrophobicContact CZ-CG1 4.49Å; F925-I991 HydrophobicContact CZ-CG2 4.46Å; F925-I991 PolarHBondContact N-O 2.78Å; F925-I991 PolarHBondContact O-N 2.86Å; F925-I1065 HydrophobicContact CB-CG2 4.16Å; F925-I1065 HydrophobicContact CD2-CG2 4.2Å; F925-F1068 HydrophobicContact CB-CB 4.42Å; F925-F1068 HydrophobicContact CB-CD2 3.75Å; F925-F1068 HydrophobicContact CB-CE2 4.5Å; F925-F1068 HydrophobicContact CB-CG 4.44Å; F925-F1068 HydrophobicContact CD1-CD2 4.4Å; F925-F1068 HydrophobicContact CD1-CE2 4.34Å; F925-F1068 HydrophobicContact CG-CD2 4.27Å |
| 926 | S | 91.8 | Very high | 79.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 142.4 | 167 | -53.3 | 0 | 0 | 0 | 0 | 109.5 | Y989 T990 I1065 A1066 N1067 | S926-Y989 CarbonylContact C-O 3.54Å; S926-Y989 VanDerWaalsContact CA-O 3.24Å; S926-Y989 WeakPolarHBondContact CA-O 3.44Å; S926-T990 PolarHBondContact OG-OG1 3.38Å; S926-I1065 CarbonylContact O-C 3.6Å; S926-I1065 VanDerWaalsContact O-CA 3.24Å; S926-I1065 WeakPolarHBondContact O-CA 3.3Å; S926-A1066 PolarHBondContact N-O 2.72Å; S926-A1066 PolarHBondContact O-N 3.09Å; S926-N1067 PolarHBondContact OG-ND2 2.85Å |
| 927 | F | 93.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 157.5 | 173.5 | 80.9 | -80.8 | 0 | 0 | 0 | 111.7 | F925 L936 L957 F983 W988 Y989 I991 F1061 C1064 I1065 | F925-F927 HydrophobicContact CD2-CB 4.31Å; F925-F927 HydrophobicContact CE2-CB 4.33Å; F925-F927 HydrophobicContact CE2-CD1 4.31Å; F927-L936 HydrophobicContact CB-CD2 3.95Å; F927-L936 HydrophobicContact CD1-CD1 4.42Å; F927-L936 HydrophobicContact CD2-CD1 4.16Å; F927-L936 HydrophobicContact CD2-CD2 3.94Å; F927-L936 HydrophobicContact CE1-CD1 4.42Å; F927-L936 HydrophobicContact CE2-CD1 4.17Å; F927-L936 HydrophobicContact CG-CD1 4.29Å; F927-L936 HydrophobicContact CG-CD2 3.95Å; F927-L936 HydrophobicContact CZ-CD1 4.29Å; F927-L957 HydrophobicContact CE1-CD1 4.23Å; F927-L957 HydrophobicContact CZ-CD1 4.08Å; F927-L957 HydrophobicContact CZ-CD2 4.4Å; F927-F983 HydrophobicContact CE2-CB 4.14Å; F927-F983 HydrophobicContact CZ-CB 3.87Å; F927-F983 HydrophobicContact CZ-CD1 4.44Å; F927-F983 HydrophobicContact CZ-CG 4.3Å; F927-W988 VanDerWaalsContact C-CE3 3.41Å; F927-W988 WeakPolarHBondContact O-CA 3.29Å; F927-Y989 WeakPolarHBondContact CD1-O 3.13Å; F927-Y989 HydrophobicContact CZ-CD2 4.49Å; F927-Y989 PolarHBondContact N-O 3.06Å; F927-Y989 PolarHBondContact O-N 3.33Å; F927-I991 HydrophobicContact CD1-CD1 3.87Å; F927-I991 HydrophobicContact CD1-CG1 4.04Å; F927-I991 HydrophobicContact CE1-CD1 3.58Å; F927-I991 HydrophobicContact CE1-CG1 3.79Å; F927-F1061 HydrophobicContact CB-CZ 4.45Å; F927-F1061 HydrophobicContact CD2-CE2 4.21Å; F927-F1061 HydrophobicContact CD2-CZ 4.4Å; F927-C1064 CarbonylContact C-O 3.57Å; F927-C1064 VanDerWaalsContact CA-O 3.22Å; F927-C1064 WeakPolarHBondContact CA-O 3.22Å; F927-I1065 HydrophobicContact CB-CG1 4.29Å |
| 928 | K | 91.2 | Very high | 83.5 | Confident | 46 Ų | 46 | 33.4 Ų | 33.4 | 20% | 0.2 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 129.6 | -179.6 | 164 | 173.6 | 159.6 | -159.1 | 0 | 109.9 | S986 Q987 W988 G1063 C1064 C1098 | K928-S986 VanDerWaalsContact CD-O 3.3Å; K928-S986 WeakPolarHBondContact CD-O 3.31Å; K928-S986 WeakPolarHBondContact CE-O 3.39Å; K928-S986 WeakPolarHBondContact CG-O 3.23Å; K928-Q987 WeakPolarHBondContact CA-O 3.48Å; K928-Q987 VanDerWaalsContact CB-O 3.28Å; K928-Q987 WeakPolarHBondContact CB-O 3.33Å; K928-Q987 WeakPolarHBondContact CG-O 3.48Å; K928-W988 HydrophobicContact CB-CD2 3.67Å; K928-W988 HydrophobicContact CB-CE3 3.61Å; K928-W988 HydrophobicContact CB-CG 4.17Å; K928-W988 HydrophobicContact CB-CH2 4.5Å; K928-W988 HydrophobicContact CB-CZ3 4.03Å; K928-W988 HydrophobicContact CD-CD2 4.11Å; K928-W988 HydrophobicContact CD-CG 4.19Å; K928-G1063 CarbonylContact O-C 3.56Å; K928-G1063 WeakPolarHBondContact O-CA 3.42Å; K928-C1064 HydrophobicContact CB-CB 4.39Å; K928-C1064 PolarHBondContact N-O 2.71Å; K928-C1064 PolarHBondContact O-N 3.33Å; K928-C1098 VanDerWaalsContact CD-SG 3.58Å; K928-C1098 PolarHBondContact NZ-O 2.76Å |
| 929 | T | 89 | Confident | 85.5 | Confident | 6 Ų | 6 | 27.7 Ų | 27.7 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | trans | -151.4 | 163.3 | 176.6 | -171.9 | 0 | 0 | 0 | 0 | 112.9 | I931 L952 N984 S986 F1061 Q1062 | T929-I931 WeakPolarHBondContact CG2-O 3.22Å; T929-I931 PolarHBondContact OG1-N 2.68Å; T929-L952 HydrophobicContact CG2-CD2 3.97Å; T929-N984 HydrophobicContact CG2-CB 4.45Å; T929-N984 CarbonylContact O-C 3.55Å; T929-N984 VanDerWaalsContact O-CA 3.24Å; T929-N984 WeakPolarHBondContact O-CA 3.46Å; T929-S986 VanDerWaalsContact O-CA 3.27Å; T929-S986 WeakPolarHBondContact O-CA 3.44Å; T929-S986 PolarHBondContact O-N 3.46Å; T929-F1061 HydrophobicContact CG2-CE2 3.84Å; T929-Q1062 WeakPolarHBondContact CB-O 3.46Å; T929-Q1062 PolarHBondContact OG1-O 3.38Å | ||
| 930 | S | 85.5 | Confident | 87.2 | Confident | 79 Ų | 79 | 24.5 Ų | 24.5 | 55% | 0.552 | 14% | 0.135 | S | C | * | . | S | Bend | trans | -103.6 | -11.9 | 165.8 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | N984 | S930-N984 WeakPolarHBondContact CA-O 3Å; S930-N984 PolarHBondContact O-ND2 3.04Å |
| 931 | I | 84.8 | Confident | 88.4 | Confident | 53 Ų | 53 | 20.3 Ų | 20.3 | 27% | 0.272 | 11% | 0.107 | S | C | . | . | trans | -89.8 | 143.1 | -174.4 | -53.4 | -155.3 | 0 | 0 | 0 | 110.5 | T929 Q933 L952 N984 Q1062 | T929-I931 WeakPolarHBondContact CG2-O 3.22Å; T929-I931 PolarHBondContact OG1-N 2.68Å; I931-Q933 VanDerWaalsContact C-N 3.35Å; I931-L952 VanDerWaalsContact O-CD2 3.27Å; I931-L952 WeakPolarHBondContact O-CD2 3.46Å; I931-N984 VanDerWaalsContact O-CB 3.28Å; I931-N984 WeakPolarHBondContact O-CB 3.37Å; I931-Q1062 HydrophobicContact CD1-CB 3.95Å; I931-Q1062 HydrophobicContact CD1-CG 3.91Å | ||
| 932 | D | 87.3 | Confident | 89 | Confident | 55 Ų | 55 | 25.3 Ų | 25.3 | 29% | 0.294 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -81.4 | -10.3 | -173.3 | 81.1 | -42.6 | 0 | 0 | 0 | 114.3 | I953 S954 S955 | D932-I953 CarbonylContact O-C 3.59Å; D932-S954 PolarHBondContact O-N 3.47Å; D932-S955 WeakPolarHBondContact CB-OG 3.2Å; D932-S955 PolarHBondContact O-N 3.42Å |
| 933 | Q | 88.1 | Confident | 89.1 | Confident | 54 Ų | 54 | 29.7 Ų | 29.7 | 25% | 0.252 | 15% | 0.151 | S | C | . | . | trans | -147 | 153.3 | -174.9 | 70.4 | -160.8 | -93.7 | 0 | 0 | 113.7 | I931 L952 | I931-Q933 VanDerWaalsContact C-N 3.35Å; Q933-L952 CarbonylContact C-O 3.56Å; Q933-L952 WeakPolarHBondContact CA-O 3.43Å | ||
| 934 | G | 89.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.7 | 152.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L936 L952 | G934-L936 PolarHBondContact O-N 3.5Å; G934-L952 PolarHBondContact N-O 3.08Å; G934-L952 PolarHBondContact O-N 3.34Å |
| 935 | I | 93.6 | Very high | 88.7 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 113.6 | 178.8 | -60.1 | 170.2 | 0 | 0 | 0 | 110.3 | F938 L949 G1041 G1042 I1055 F1059 F1061 | I935-F938 HydrophobicContact CG2-CB 3.95Å; I935-L949 HydrophobicContact CG1-CD1 4.33Å; I935-L949 HydrophobicContact CG2-CD1 3.75Å; I935-G1041 CarbonylContact O-C 3.46Å; I935-G1041 VanDerWaalsContact O-CA 3.24Å; I935-G1041 WeakPolarHBondContact O-CA 3.49Å; I935-G1042 PolarHBondContact O-N 2.99Å; I935-I1055 HydrophobicContact CD1-CG2 3.9Å; I935-I1055 HydrophobicContact CG1-CG2 4.32Å; I935-F1059 PolarHBondContact N-O 2.75Å; I935-F1061 VanDerWaalsContact O-CB 3.22Å; I935-F1061 WeakPolarHBondContact O-CB 3.39Å; I935-F1061 PolarHBondContact O-N 3.33Å |
| 936 | L | 94.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -47.3 | 177.3 | -80.4 | 163.5 | 0 | 0 | 0 | 111.9 | F925 F927 G934 I950 L957 I991 G1041 F1061 I1065 | F925-L936 HydrophobicContact CE2-CB 4.44Å; F925-L936 HydrophobicContact CE2-CD2 4.37Å; F925-L936 HydrophobicContact CZ-CB 4.41Å; F927-L936 HydrophobicContact CB-CD2 3.95Å; F927-L936 HydrophobicContact CD1-CD1 4.42Å; F927-L936 HydrophobicContact CD2-CD1 4.16Å; F927-L936 HydrophobicContact CD2-CD2 3.94Å; F927-L936 HydrophobicContact CE1-CD1 4.42Å; F927-L936 HydrophobicContact CE2-CD1 4.17Å; F927-L936 HydrophobicContact CG-CD1 4.29Å; F927-L936 HydrophobicContact CG-CD2 3.95Å; F927-L936 HydrophobicContact CZ-CD1 4.29Å; G934-L936 PolarHBondContact O-N 3.5Å; L936-I950 HydrophobicContact CB-CB 4.43Å; L936-I950 HydrophobicContact CB-CG2 4.13Å; L936-I950 HydrophobicContact CD1-CG2 4.07Å; L936-I950 PolarHBondContact N-O 3.25Å; L936-L957 HydrophobicContact CD1-CD2 3.56Å; L936-I991 HydrophobicContact CD1-CD1 4.4Å; L936-G1041 PolarHBondContact O-N 2.74Å; L936-F1061 HydrophobicContact CD2-CD1 4.25Å; L936-F1061 HydrophobicContact CD2-CD2 3.46Å; L936-F1061 VanDerWaalsContact CD2-CD2 3.46Å; L936-F1061 HydrophobicContact CD2-CE1 4.25Å; L936-F1061 HydrophobicContact CD2-CE2 3.47Å; L936-F1061 VanDerWaalsContact CD2-CE2 3.47Å; L936-F1061 HydrophobicContact CD2-CG 3.86Å; L936-F1061 HydrophobicContact CD2-CZ 3.87Å; L936-F1061 HydrophobicContact CG-CD2 4.08Å; L936-F1061 HydrophobicContact CG-CE2 4.39Å; L936-I1065 HydrophobicContact CD2-CD1 4.32Å |
| 937 | L | 94.5 | Very high | 88.4 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 131 | -176.7 | -177.2 | 71.7 | 0 | 0 | 0 | 109.7 | V923 F925 I939 L948 L949 I950 I1038 I1040 F1068 | V923-L937 HydrophobicContact CG1-CD2 4.08Å; F925-L937 HydrophobicContact CE1-CB 4.49Å; F925-L937 HydrophobicContact CE1-CD2 4.25Å; F925-L937 HydrophobicContact CZ-CB 4.47Å; L937-I939 HydrophobicContact CD1-CD1 4.38Å; L937-I939 HydrophobicContact CD1-CG1 4.17Å; L937-I939 HydrophobicContact CD2-CD1 4Å; L937-I939 HydrophobicContact CD2-CG1 4.29Å; L937-I939 HydrophobicContact CG-CD1 4.3Å; L937-I939 HydrophobicContact CG-CG1 4.07Å; L937-L948 HydrophobicContact CD2-CD2 4.23Å; L937-L949 CarbonylContact O-C 3.59Å; L937-L949 WeakPolarHBondContact O-CA 3.26Å; L937-I950 HydrophobicContact CB-CB 4.15Å; L937-I950 HydrophobicContact CB-CD1 4.2Å; L937-I950 HydrophobicContact CB-CG1 4.41Å; L937-I950 HydrophobicContact CD2-CD1 3.86Å; L937-I950 PolarHBondContact N-O 3.03Å; L937-I950 VanDerWaalsContact N-O 3.15Å; L937-I950 PolarHBondContact O-N 3.22Å; L937-I1038 HydrophobicContact CD1-CG2 3.97Å; L937-I1040 HydrophobicContact CD1-CG1 3.98Å; L937-F1068 HydrophobicContact CD1-CE2 4.37Å; L937-F1068 HydrophobicContact CD1-CZ 4.5Å |
| 938 | F | 93 | Very high | 88.2 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 102.2 | 176.3 | 178.9 | -114.1 | 0 | 0 | 0 | 110.3 | I935 L940 F947 L948 L949 N1039 C1043 D1047 F1051 I1055 | I935-F938 HydrophobicContact CG2-CB 3.95Å; F938-L940 HydrophobicContact CD1-CB 4.4Å; F938-L940 HydrophobicContact CE1-CB 3.81Å; F938-L940 HydrophobicContact CE1-CD2 3.99Å; F938-L940 HydrophobicContact CE1-CG 4.4Å; F938-L940 HydrophobicContact CZ-CB 4.03Å; F938-L940 HydrophobicContact CZ-CD1 4.36Å; F938-L940 HydrophobicContact CZ-CD2 4.27Å; F938-L940 HydrophobicContact CZ-CG 4.45Å; F938-F947 HydrophobicContact CD2-CD2 4.3Å; F938-F947 HydrophobicContact CE2-CB 3.79Å; F938-F947 HydrophobicContact CE2-CD1 4.13Å; F938-F947 AromaticContact CE2-CD2 3.72Å; F938-F947 HydrophobicContact CE2-CD2 3.72Å; F938-F947 HydrophobicContact CE2-CE2 4.29Å; F938-F947 AromaticContact CE2-CG 3.63Å; F938-F947 HydrophobicContact CE2-CG 3.63Å; F938-F947 HydrophobicContact CZ-CB 4.25Å; F938-F947 HydrophobicContact CZ-CD1 4.48Å; F938-F947 HydrophobicContact CZ-CG 4.29Å; F938-L948 WeakPolarHBondContact CA-O 3.2Å; F938-L949 HydrophobicContact CB-CD1 4.17Å; F938-L949 HydrophobicContact CD2-CB 4.26Å; F938-L949 HydrophobicContact CD2-CD1 3.87Å; F938-L949 HydrophobicContact CG-CD1 4.43Å; F938-N1039 HydrophobicContact CB-CB 4.45Å; F938-N1039 PolarHBondContact N-O 3.31Å; F938-N1039 WeakPolarHBondContact O-CB 3.38Å; F938-N1039 PolarHBondContact O-N 3.07Å; F938-N1039 PolarHBondContact O-ND2 2.95Å; F938-C1043 HydrophobicContact CB-CB 4.49Å; F938-C1043 HydrophobicContact CD1-CB 3.43Å; F938-C1043 VanDerWaalsContact CD1-CB 3.43Å; F938-C1043 HydrophobicContact CE1-CB 3.89Å; F938-C1043 HydrophobicContact CG-CB 4.18Å; F938-D1047 HydrophobicContact CE1-CB 4.07Å; F938-F1051 AromaticContact CZ-CD2 3.87Å; F938-F1051 HydrophobicContact CZ-CD2 3.87Å; F938-F1051 HydrophobicContact CZ-CE2 4.05Å; F938-I1055 HydrophobicContact CE2-CD1 4.35Å |
| 939 | I | 91 | Very high | 88.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 114.2 | 179.2 | -56.5 | -176.7 | 0 | 0 | 0 | 108 | L937 F947 L948 F1033 I1037 I1038 F1070 | L937-I939 HydrophobicContact CD1-CD1 4.38Å; L937-I939 HydrophobicContact CD1-CG1 4.17Å; L937-I939 HydrophobicContact CD2-CD1 4Å; L937-I939 HydrophobicContact CD2-CG1 4.29Å; L937-I939 HydrophobicContact CG-CD1 4.3Å; L937-I939 HydrophobicContact CG-CG1 4.07Å; I939-F947 CarbonylContact O-C 3.56Å; I939-F947 WeakPolarHBondContact O-CA 3.49Å; I939-F947 WeakPolarHBondContact O-CB 3.49Å; I939-L948 HydrophobicContact CB-CB 4.48Å; I939-L948 PolarHBondContact N-O 3.37Å; I939-L948 PolarHBondContact O-N 3.07Å; I939-F1033 HydrophobicContact CD1-CE1 3.78Å; I939-F1033 HydrophobicContact CG2-CD1 4.04Å; I939-F1033 HydrophobicContact CG2-CE1 3.94Å; I939-I1037 WeakPolarHBondContact CA-O 3.49Å; I939-I1038 HydrophobicContact CD1-CG1 4.23Å; I939-I1038 HydrophobicContact CD1-CG2 4.32Å; I939-I1038 HydrophobicContact CG1-CB 4.38Å; I939-I1038 HydrophobicContact CG1-CG1 4.16Å; I939-I1038 HydrophobicContact CG1-CG2 4.13Å; I939-I1038 HydrophobicContact CG2-CG1 4.21Å; I939-F1070 HydrophobicContact CD1-CE2 4.25Å |
| 940 | L | 88.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125.4 | -175.3 | 172.5 | 64.3 | 0 | 0 | 0 | 110.5 | F938 K942 F947 S1036 I1037 D1047 F1051 | F938-L940 HydrophobicContact CD1-CB 4.4Å; F938-L940 HydrophobicContact CE1-CB 3.81Å; F938-L940 HydrophobicContact CE1-CD2 3.99Å; F938-L940 HydrophobicContact CE1-CG 4.4Å; F938-L940 HydrophobicContact CZ-CB 4.03Å; F938-L940 HydrophobicContact CZ-CD1 4.36Å; F938-L940 HydrophobicContact CZ-CD2 4.27Å; F938-L940 HydrophobicContact CZ-CG 4.45Å; L940-K942 HydrophobicContact CD2-CG 3.99Å; L940-K942 HydrophobicContact CG-CG 4.16Å; L940-F947 HydrophobicContact CD1-CB 4.06Å; L940-S1036 WeakPolarHBondContact O-CA 3.27Å; L940-I1037 PolarHBondContact N-O 2.7Å; L940-I1037 PolarHBondContact O-N 3.41Å; L940-D1047 HydrophobicContact CD2-CB 4.44Å; L940-D1047 WeakPolarHBondContact CD2-OD1 3.49Å; L940-F1051 HydrophobicContact CD1-CE2 3.76Å; L940-F1051 HydrophobicContact CD1-CZ 3.8Å; L940-F1051 HydrophobicContact CD2-CE2 4.09Å |
| 941 | N | 86.2 | Confident | 88.9 | Confident | 6 Ų | 6 | 25.6 Ų | 25.6 | 3% | 0.032 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 111.3 | 163.7 | -177.2 | -16.8 | 0 | 0 | 0 | 109.3 | L943 N944 D945 N946 Q1031 S1034 | N941-L943 PolarHBondContact O-N 3.05Å; N941-L943 WeakPolarHBondContact OD1-CB 3.46Å; N941-L943 PolarHBondContact OD1-N 2.62Å; N941-N944 VanDerWaalsContact CB-OD1 3.27Å; N941-N944 WeakPolarHBondContact CB-OD1 3.3Å; N941-N944 VanDerWaalsContact CG-OD1 3.25Å; N941-N944 PolarHBondContact ND2-ND2 3.01Å; N941-N944 PolarHBondContact O-OD1 2.97Å; N941-D945 PolarHBondContact O-N 3.16Å; N941-N946 PolarHBondContact N-O 3.32Å; N941-Q1031 PolarHBondContact ND2-O 3.31Å; N941-S1034 PolarHBondContact ND2-O 3.44Å |
| 942 | K | 80.2 | Confident | 89.3 | Confident | 118 Ų | 118 | 23.1 Ų | 23.1 | 51% | 0.513 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -7.2 | -176.9 | -77.2 | -162.9 | 170 | -177.7 | 0 | 114.9 | L940 I1037 | L940-K942 HydrophobicContact CD2-CG 3.99Å; L940-K942 HydrophobicContact CG-CG 4.16Å; K942-I1037 HydrophobicContact CD-CD1 3.78Å; K942-I1037 HydrophobicContact CG-CD1 4.29Å |
| 943 | L | 81.1 | Confident | 89.4 | Confident | 141 Ų | 141 | 22.6 Ų | 22.6 | 74% | 0.738 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -24.8 | 178 | -63.9 | 171.8 | 0 | 0 | 0 | 113.2 | N941 N1035 | N941-L943 PolarHBondContact O-N 3.05Å; N941-L943 WeakPolarHBondContact OD1-CB 3.46Å; N941-L943 PolarHBondContact OD1-N 2.62Å; L943-N1035 HydrophobicContact CD1-CB 4.35Å |
| 944 | N | 82 | Confident | 89.3 | Confident | 50 Ų | 50 | 23.6 Ų | 23.6 | 27% | 0.267 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -137.1 | 3.6 | -173 | 59.9 | 16.8 | 0 | 0 | 0 | 114.5 | N941 N946 Q1031 | N941-N944 VanDerWaalsContact CB-OD1 3.27Å; N941-N944 WeakPolarHBondContact CB-OD1 3.3Å; N941-N944 VanDerWaalsContact CG-OD1 3.25Å; N941-N944 PolarHBondContact ND2-ND2 3.01Å; N941-N944 PolarHBondContact O-OD1 2.97Å; N944-N946 PolarHBondContact ND2-ND2 3.44Å; N944-N946 PolarHBondContact O-N 3.08Å; N944-N946 PolarHBondContact O-OD1 3.48Å; N944-N946 WeakPolarHBondContact OD1-CB 3.48Å; N944-N946 PolarHBondContact OD1-N 3.27Å; N944-Q1031 PolarHBondContact ND2-O 2.91Å |
| 945 | D | 85.6 | Confident | 89.1 | Confident | 49 Ų | 49 | 24.1 Ų | 24.1 | 26% | 0.262 | 13% | 0.129 | S | C | . | . | trans | 56.9 | 17.7 | -178.6 | -69.9 | -42.3 | 0 | 0 | 0 | 115.2 | N941 H962 K1050 F1051 | N941-D945 PolarHBondContact O-N 3.16Å; D945-H962 PolarHBondContact O-ND1 3.03Å; D945-K1050 WeakPolarHBondContact OD1-CE 3.24Å; D945-K1050 IonicContact OD1-NZ 3.83Å; D945-K1050 PolarHBondContact OD1-NZ 2.95Å; D945-K1050 WeakPolarHBondContact OD2-CE 3.34Å; D945-K1050 IonicContact OD2-NZ 3.63Å; D945-K1050 PolarHBondContact OD2-NZ 3.02Å; D945-F1051 HydrophobicContact CB-CE1 4.08Å; D945-F1051 HydrophobicContact CB-CZ 3.97Å | ||
| 946 | N | 86.8 | Confident | 88.8 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.011 | 13% | 0.133 | C | C | . | . | trans | -80.2 | 136.4 | 172.1 | -62.9 | -25.9 | 0 | 0 | 0 | 108.9 | N941 N944 H962 F963 N964 L1032 | N941-N946 PolarHBondContact N-O 3.32Å; N944-N946 PolarHBondContact ND2-ND2 3.44Å; N944-N946 PolarHBondContact O-N 3.08Å; N944-N946 PolarHBondContact O-OD1 3.48Å; N944-N946 WeakPolarHBondContact OD1-CB 3.48Å; N944-N946 PolarHBondContact OD1-N 3.27Å; N946-H962 CarbonylContact C-O 3.6Å; N946-H962 VanDerWaalsContact CA-O 3.24Å; N946-H962 WeakPolarHBondContact CA-O 3.27Å; N946-H962 WeakPolarHBondContact CB-O 3.42Å; N946-F963 HydrophobicContact CB-CD2 3.89Å; N946-F963 VanDerWaalsContact ND2-CD2 3.32Å; N946-F963 WeakPolarHBondContact ND2-CD2 3.23Å; N946-F963 VanDerWaalsContact OD1-CA 3.28Å; N946-F963 WeakPolarHBondContact OD1-CA 3.49Å; N946-N964 PolarHBondContact ND2-OD1 2.64Å; N946-N964 PolarHBondContact OD1-N 2.68Å; N946-L1032 HydrophobicContact CB-CD1 3.59Å | ||
| 947 | F | 89.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 159.7 | -175 | 69.9 | -109.1 | 0 | 0 | 0 | 114.1 | F938 I939 L940 L949 T960 I961 H962 L967 F1051 K1054 | F938-F947 HydrophobicContact CD2-CD2 4.3Å; F938-F947 HydrophobicContact CE2-CB 3.79Å; F938-F947 HydrophobicContact CE2-CD1 4.13Å; F938-F947 AromaticContact CE2-CD2 3.72Å; F938-F947 HydrophobicContact CE2-CD2 3.72Å; F938-F947 HydrophobicContact CE2-CE2 4.29Å; F938-F947 AromaticContact CE2-CG 3.63Å; F938-F947 HydrophobicContact CE2-CG 3.63Å; F938-F947 HydrophobicContact CZ-CB 4.25Å; F938-F947 HydrophobicContact CZ-CD1 4.48Å; F938-F947 HydrophobicContact CZ-CG 4.29Å; I939-F947 CarbonylContact O-C 3.56Å; I939-F947 WeakPolarHBondContact O-CA 3.49Å; I939-F947 WeakPolarHBondContact O-CB 3.49Å; L940-F947 HydrophobicContact CD1-CB 4.06Å; F947-L949 HydrophobicContact CD2-CB 4.13Å; F947-L949 HydrophobicContact CE2-CB 4.07Å; F947-T960 HydrophobicContact CE2-CG2 4.33Å; F947-I961 WeakPolarHBondContact O-CA 3.47Å; F947-H962 HydrophobicContact CD1-CB 3.53Å; F947-H962 AromaticContact CD1-CG 4Å; F947-H962 AromaticContact CD1-ND1 3.93Å; F947-H962 HydrophobicContact CD2-CB 3.99Å; F947-H962 HydrophobicContact CE1-CB 3.37Å; F947-H962 AromaticContact CE1-CG 3.73Å; F947-H962 AromaticContact CE1-ND1 3.94Å; F947-H962 HydrophobicContact CE2-CB 3.85Å; F947-H962 HydrophobicContact CG-CB 3.84Å; F947-H962 HydrophobicContact CZ-CB 3.54Å; F947-H962 PolarHBondContact N-O 2.74Å; F947-H962 PolarHBondContact O-N 3.4Å; F947-L967 HydrophobicContact CZ-CD1 4.25Å; F947-F1051 HydrophobicContact CD1-CD1 4.1Å; F947-F1051 HydrophobicContact CD1-CD2 4.43Å; F947-F1051 HydrophobicContact CD1-CE1 4.07Å; F947-F1051 HydrophobicContact CD1-CE2 4.42Å; F947-F1051 HydrophobicContact CD1-CG 4.28Å; F947-F1051 HydrophobicContact CD1-CZ 4.23Å; F947-F1051 HydrophobicContact CE1-CB 4.27Å; F947-F1051 AromaticContact CE1-CD1 3.65Å; F947-F1051 HydrophobicContact CE1-CD1 3.65Å; F947-F1051 HydrophobicContact CE1-CD2 4.41Å; F947-F1051 HydrophobicContact CE1-CE1 4.04Å; F947-F1051 AromaticContact CE1-CG 3.85Å; F947-F1051 HydrophobicContact CE1-CG 3.85Å; F947-K1054 HydrophobicContact CE1-CD 4.38Å; F947-K1054 HydrophobicContact CZ-CB 4.06Å |
| 948 | L | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 130 | 167.7 | 176.8 | 157 | 0 | 0 | 0 | 109 | L937 F938 I939 I950 F959 I961 L993 L1032 F1033 | L937-L948 HydrophobicContact CD2-CD2 4.23Å; F938-L948 WeakPolarHBondContact CA-O 3.2Å; I939-L948 HydrophobicContact CB-CB 4.48Å; I939-L948 PolarHBondContact N-O 3.37Å; I939-L948 PolarHBondContact O-N 3.07Å; L948-I950 HydrophobicContact CD2-CG1 4.49Å; L948-F959 HydrophobicContact CD1-CE2 3.68Å; L948-F959 HydrophobicContact CD1-CZ 3.69Å; L948-F959 HydrophobicContact CD2-CE2 3.84Å; L948-F959 HydrophobicContact CG-CE2 3.58Å; L948-F959 HydrophobicContact CG-CZ 3.92Å; L948-I961 HydrophobicContact CG-CG1 4.46Å; L948-L993 HydrophobicContact CD1-CD2 3.93Å; L948-L993 HydrophobicContact CD2-CD2 4.43Å; L948-L1032 HydrophobicContact CB-CD2 4.19Å; L948-F1033 HydrophobicContact CD1-CZ 4.17Å |
| 949 | L | 92.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.6 | -176.7 | 175.7 | 70.3 | 0 | 0 | 0 | 110.1 | I935 L937 F938 F947 E951 F959 T960 I1055 | I935-L949 HydrophobicContact CG1-CD1 4.33Å; I935-L949 HydrophobicContact CG2-CD1 3.75Å; L937-L949 CarbonylContact O-C 3.59Å; L937-L949 WeakPolarHBondContact O-CA 3.26Å; F938-L949 HydrophobicContact CB-CD1 4.17Å; F938-L949 HydrophobicContact CD2-CB 4.26Å; F938-L949 HydrophobicContact CD2-CD1 3.87Å; F938-L949 HydrophobicContact CG-CD1 4.43Å; F947-L949 HydrophobicContact CD2-CB 4.13Å; F947-L949 HydrophobicContact CE2-CB 4.07Å; L949-E951 HydrophobicContact CD1-CB 4.29Å; L949-E951 HydrophobicContact CD2-CB 4.42Å; L949-E951 HydrophobicContact CD2-CG 4.06Å; L949-E951 HydrophobicContact CG-CB 4.21Å; L949-E951 HydrophobicContact CG-CG 4.23Å; L949-F959 WeakPolarHBondContact O-CA 3.45Å; L949-T960 PolarHBondContact N-O 3.05Å; L949-T960 PolarHBondContact O-N 3.04Å; L949-I1055 HydrophobicContact CD2-CB 4.46Å; L949-I1055 HydrophobicContact CD2-CG1 4.13Å; L949-I1055 HydrophobicContact CD2-CG2 4.38Å |
| 950 | I | 94 | Very high | 88.3 | Confident | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.036 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.2 | 160.2 | -59.1 | 168.5 | 0 | 0 | 0 | 106.7 | F925 L936 L937 L948 L957 F959 I991 | F925-I950 HydrophobicContact CE1-CD1 4.03Å; F925-I950 HydrophobicContact CZ-CD1 4.06Å; L936-I950 HydrophobicContact CB-CB 4.43Å; L936-I950 HydrophobicContact CB-CG2 4.13Å; L936-I950 HydrophobicContact CD1-CG2 4.07Å; L936-I950 PolarHBondContact N-O 3.25Å; L937-I950 HydrophobicContact CB-CB 4.15Å; L937-I950 HydrophobicContact CB-CD1 4.2Å; L937-I950 HydrophobicContact CB-CG1 4.41Å; L937-I950 HydrophobicContact CD2-CD1 3.86Å; L937-I950 PolarHBondContact N-O 3.03Å; L937-I950 VanDerWaalsContact N-O 3.15Å; L937-I950 PolarHBondContact O-N 3.22Å; L948-I950 HydrophobicContact CD2-CG1 4.49Å; I950-L957 HydrophobicContact CG2-CD2 3.9Å; I950-F959 HydrophobicContact CG1-CD2 3.85Å; I950-F959 HydrophobicContact CG1-CE2 4.37Å; I950-I991 HydrophobicContact CD1-CG2 4.28Å; I950-I991 HydrophobicContact CG2-CD1 4.13Å |
| 951 | E | 94 | Very high | 88.3 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 153.1 | 178.5 | 66.3 | 175 | 159.5 | 0 | 0 | 112.1 | L949 I953 L958 K1056 S1057 | L949-E951 HydrophobicContact CD1-CB 4.29Å; L949-E951 HydrophobicContact CD2-CB 4.42Å; L949-E951 HydrophobicContact CD2-CG 4.06Å; L949-E951 HydrophobicContact CG-CB 4.21Å; L949-E951 HydrophobicContact CG-CG 4.23Å; E951-I953 HydrophobicContact CG-CD1 4.25Å; E951-I953 HydrophobicContact CG-CG1 4.26Å; E951-L958 HydrophobicContact CG-CB 3.79Å; E951-L958 PolarHBondContact N-O 3.1Å; E951-L958 PolarHBondContact O-N 2.78Å; E951-K1056 PolarHBondContact OE1-N 2.87Å; E951-K1056 PolarHBondContact OE2-N 2.75Å; E951-S1057 WeakPolarHBondContact CB-OG 3.48Å; E951-S1057 VanDerWaalsContact OE2-CB 3.23Å; E951-S1057 WeakPolarHBondContact OE2-CB 3.38Å; E951-S1057 PolarHBondContact OE2-N 3.28Å; E951-S1057 PolarHBondContact OE2-OG 2.88Å |
| 952 | L | 91.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 137.2 | 172.6 | -161 | 73.6 | 0 | 0 | 0 | 109.3 | T929 I931 Q933 G934 L957 F983 S1057 | T929-L952 HydrophobicContact CG2-CD2 3.97Å; I931-L952 VanDerWaalsContact O-CD2 3.27Å; I931-L952 WeakPolarHBondContact O-CD2 3.46Å; Q933-L952 CarbonylContact C-O 3.56Å; Q933-L952 WeakPolarHBondContact CA-O 3.43Å; G934-L952 PolarHBondContact N-O 3.08Å; G934-L952 PolarHBondContact O-N 3.34Å; L952-L957 HydrophobicContact CD1-CD2 3.94Å; L952-L957 HydrophobicContact CD1-CG 3.96Å; L952-F983 HydrophobicContact CD1-CB 4.01Å; L952-F983 HydrophobicContact CD1-CD2 4.34Å; L952-S1057 PolarHBondContact O-OG 2.8Å |
| 953 | I | 89.9 | Confident | 88.4 | Confident | 44 Ų | 44 | 20.3 Ų | 20.3 | 23% | 0.226 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 124.5 | 175.7 | -49.5 | 172.3 | 0 | 0 | 0 | 109 | D932 E951 S955 Q956 L958 K1056 | D932-I953 CarbonylContact O-C 3.59Å; E951-I953 HydrophobicContact CG-CD1 4.25Å; E951-I953 HydrophobicContact CG-CG1 4.26Å; I953-S955 PolarHBondContact O-N 2.87Å; I953-Q956 PolarHBondContact N-O 2.89Å; I953-Q956 PolarHBondContact O-N 2.85Å; I953-L958 HydrophobicContact CD1-CB 4.25Å; I953-L958 HydrophobicContact CD1-CD1 4.36Å; I953-L958 HydrophobicContact CD1-CD2 3.8Å; I953-L958 HydrophobicContact CD1-CG 4.36Å; I953-K1056 HydrophobicContact CD1-CB 3.5Å; I953-K1056 VanDerWaalsContact CD1-CB 3.5Å; I953-K1056 HydrophobicContact CD1-CD 3.98Å; I953-K1056 HydrophobicContact CD1-CG 4.36Å |
| 954 | S | 86.6 | Confident | 88.3 | Confident | 74 Ų | 74 | 18 Ų | 18 | 52% | 0.517 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 45.3 | -176.5 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | D932 Q956 | D932-S954 PolarHBondContact O-N 3.47Å; S954-Q956 PolarHBondContact O-N 2.83Å |
| 955 | S | 84.1 | Confident | 88 | Confident | 11 Ų | 11 | 22.3 Ų | 22.3 | 8% | 0.077 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 20.9 | -179.1 | -45.6 | 0 | 0 | 0 | 0 | 115.5 | D932 I953 F982 F983 N984 | D932-S955 WeakPolarHBondContact CB-OG 3.2Å; D932-S955 PolarHBondContact O-N 3.42Å; I953-S955 PolarHBondContact O-N 2.87Å; S955-F982 CarbonylContact O-C 3.54Å; S955-F982 WeakPolarHBondContact O-CA 3.4Å; S955-F983 PolarHBondContact O-N 2.92Å; S955-N984 WeakPolarHBondContact CB-OD1 3.36Å; S955-N984 PolarHBondContact OG-OD1 2.9Å |
| 956 | Q | 88.5 | Confident | 87.7 | Confident | 20 Ų | 20 | 25.4 Ų | 25.4 | 9% | 0.093 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 140.2 | -179.2 | -69.3 | 169.3 | -4.3 | 0 | 0 | 110.2 | I953 S954 F982 | I953-Q956 PolarHBondContact N-O 2.89Å; I953-Q956 PolarHBondContact O-N 2.85Å; S954-Q956 PolarHBondContact O-N 2.83Å; Q956-F982 HydrophobicContact CG-CD1 4.36Å |
| 957 | L | 90.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 128.7 | -176.9 | -77.2 | 163.8 | 0 | 0 | 0 | 111 | F927 L936 I950 L952 I972 F983 I991 I1007 | F927-L957 HydrophobicContact CE1-CD1 4.23Å; F927-L957 HydrophobicContact CZ-CD1 4.08Å; F927-L957 HydrophobicContact CZ-CD2 4.4Å; L936-L957 HydrophobicContact CD1-CD2 3.56Å; I950-L957 HydrophobicContact CG2-CD2 3.9Å; L952-L957 HydrophobicContact CD1-CD2 3.94Å; L952-L957 HydrophobicContact CD1-CG 3.96Å; L957-I972 HydrophobicContact CB-CB 4.27Å; L957-I972 PolarHBondContact O-N 2.9Å; L957-F983 HydrophobicContact CB-CD2 4.41Å; L957-F983 HydrophobicContact CB-CE2 4.21Å; L957-F983 HydrophobicContact CD1-CD1 4.42Å; L957-F983 HydrophobicContact CD1-CD2 3.86Å; L957-F983 HydrophobicContact CD1-CE1 4.35Å; L957-F983 HydrophobicContact CD1-CE2 3.79Å; L957-F983 HydrophobicContact CD1-CG 4.18Å; L957-F983 HydrophobicContact CD1-CZ 4.03Å; L957-F983 HydrophobicContact CG-CD2 3.83Å; L957-F983 HydrophobicContact CG-CE2 3.99Å; L957-F983 HydrophobicContact CG-CG 4.43Å; L957-I991 HydrophobicContact CD1-CD1 3.92Å; L957-I991 HydrophobicContact CD2-CD1 4.19Å; L957-I1007 HydrophobicContact CD1-CD1 3.48Å; L957-I1007 VanDerWaalsContact CD1-CD1 3.48Å |
| 958 | L | 91.1 | Very high | 87.4 | Confident | 13 Ų | 13 | 31.1 Ų | 31.1 | 7% | 0.068 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 138.5 | 164.3 | -121.7 | 76 | 0 | 0 | 0 | 109.3 | E951 I953 T969 K971 K1056 | E951-L958 HydrophobicContact CG-CB 3.79Å; E951-L958 PolarHBondContact N-O 3.1Å; E951-L958 PolarHBondContact O-N 2.78Å; I953-L958 HydrophobicContact CD1-CB 4.25Å; I953-L958 HydrophobicContact CD1-CD1 4.36Å; I953-L958 HydrophobicContact CD1-CD2 3.8Å; I953-L958 HydrophobicContact CD1-CG 4.36Å; L958-T969 HydrophobicContact CD2-CG2 3.41Å; L958-T969 VanDerWaalsContact CD2-CG2 3.41Å; L958-T969 HydrophobicContact CG-CG2 3.89Å; L958-K971 HydrophobicContact CD1-CB 3.91Å; L958-K971 HydrophobicContact CD1-CD 4.18Å; L958-K971 HydrophobicContact CD1-CG 3.94Å; L958-K1056 HydrophobicContact CD2-CD 4.09Å |
| 959 | F | 90.4 | Very high | 87.2 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.7 | 168.9 | 176.8 | -101.5 | 0 | 0 | 0 | 108.8 | L948 L949 I950 I961 T969 K970 I972 L993 I1005 I1021 | L948-F959 HydrophobicContact CD1-CE2 3.68Å; L948-F959 HydrophobicContact CD1-CZ 3.69Å; L948-F959 HydrophobicContact CD2-CE2 3.84Å; L948-F959 HydrophobicContact CG-CE2 3.58Å; L948-F959 HydrophobicContact CG-CZ 3.92Å; L949-F959 WeakPolarHBondContact O-CA 3.45Å; I950-F959 HydrophobicContact CG1-CD2 3.85Å; I950-F959 HydrophobicContact CG1-CE2 4.37Å; F959-I961 HydrophobicContact CD1-CG1 4.4Å; F959-I961 HydrophobicContact CE1-CD1 3.45Å; F959-I961 VanDerWaalsContact CE1-CD1 3.45Å; F959-I961 HydrophobicContact CE1-CG1 3.53Å; F959-I961 HydrophobicContact CZ-CD1 3.64Å; F959-I961 HydrophobicContact CZ-CG1 3.66Å; F959-T969 CarbonylContact O-C 3.52Å; F959-T969 WeakPolarHBondContact O-CA 3.45Å; F959-K970 PolarHBondContact N-O 2.79Å; F959-K970 PolarHBondContact O-N 3.4Å; F959-I972 HydrophobicContact CB-CD1 4.15Å; F959-L993 HydrophobicContact CE2-CD1 3.79Å; F959-L993 HydrophobicContact CZ-CD1 3.95Å; F959-I1005 HydrophobicContact CB-CD1 3.79Å; F959-I1005 HydrophobicContact CD1-CD1 3.83Å; F959-I1005 HydrophobicContact CD2-CD1 3.41Å; F959-I1005 VanDerWaalsContact CD2-CD1 3.41Å; F959-I1005 HydrophobicContact CE1-CD1 4.14Å; F959-I1005 HydrophobicContact CE2-CD1 3.76Å; F959-I1005 HydrophobicContact CG-CD1 3.39Å; F959-I1005 HydrophobicContact CZ-CD1 4.09Å; F959-I1021 HydrophobicContact CD1-CD1 3.22Å; F959-I1021 HydrophobicContact CE1-CD1 3.35Å; F959-I1021 HydrophobicContact CG-CD1 4.25Å; F959-I1021 HydrophobicContact CZ-CD1 4.46Å |
| 960 | T | 89.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 124.4 | -174.4 | -51.8 | 0 | 0 | 0 | 0 | 109.3 | F947 L949 L967 I968 | F947-T960 HydrophobicContact CE2-CG2 4.33Å; L949-T960 PolarHBondContact N-O 3.05Å; L949-T960 PolarHBondContact O-N 3.04Å; T960-L967 HydrophobicContact CG2-CD1 3.55Å; T960-L967 HydrophobicContact CG2-CD2 4.47Å; T960-L967 HydrophobicContact CG2-CG 3.94Å; T960-I968 CarbonylContact C-O 3.33Å; T960-I968 WeakPolarHBondContact CA-O 3.21Å |
| 961 | I | 87.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 133.9 | 168.5 | -62.8 | 173.1 | 0 | 0 | 0 | 108.4 | F947 L948 F959 L967 I968 L1003 L1023 F1027 | F947-I961 WeakPolarHBondContact O-CA 3.47Å; L948-I961 HydrophobicContact CG-CG1 4.46Å; F959-I961 HydrophobicContact CD1-CG1 4.4Å; F959-I961 HydrophobicContact CE1-CD1 3.45Å; F959-I961 VanDerWaalsContact CE1-CD1 3.45Å; F959-I961 HydrophobicContact CE1-CG1 3.53Å; F959-I961 HydrophobicContact CZ-CD1 3.64Å; F959-I961 HydrophobicContact CZ-CG1 3.66Å; I961-L967 CarbonylContact O-C 3.58Å; I961-L967 WeakPolarHBondContact O-CA 3.39Å; I961-I968 PolarHBondContact N-O 3.46Å; I961-I968 PolarHBondContact O-N 2.84Å; I961-L1003 HydrophobicContact CD1-CD1 4.39Å; I961-L1023 HydrophobicContact CD1-CD1 4.46Å; I961-L1023 HydrophobicContact CD1-CD2 3.96Å; I961-F1027 HydrophobicContact CG2-CE1 3.52Å; I961-F1027 HydrophobicContact CG2-CZ 3.59Å |
| 962 | H | 86.6 | Confident | 85.9 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.019 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124.4 | 167.5 | -179.5 | -111.9 | 0 | 0 | 0 | 109.6 | D945 N946 F947 N965 E966 L967 K1054 | D945-H962 PolarHBondContact O-ND1 3.03Å; N946-H962 CarbonylContact C-O 3.6Å; N946-H962 VanDerWaalsContact CA-O 3.24Å; N946-H962 WeakPolarHBondContact CA-O 3.27Å; N946-H962 WeakPolarHBondContact CB-O 3.42Å; F947-H962 HydrophobicContact CD1-CB 3.53Å; F947-H962 AromaticContact CD1-CG 4Å; F947-H962 AromaticContact CD1-ND1 3.93Å; F947-H962 HydrophobicContact CD2-CB 3.99Å; F947-H962 HydrophobicContact CE1-CB 3.37Å; F947-H962 AromaticContact CE1-CG 3.73Å; F947-H962 AromaticContact CE1-ND1 3.94Å; F947-H962 HydrophobicContact CE2-CB 3.85Å; F947-H962 HydrophobicContact CG-CB 3.84Å; F947-H962 HydrophobicContact CZ-CB 3.54Å; F947-H962 PolarHBondContact N-O 2.74Å; F947-H962 PolarHBondContact O-N 3.4Å; H962-N965 WeakPolarHBondContact NE2-CA 3.06Å; H962-E966 WeakPolarHBondContact CA-O 3.3Å; H962-E966 PolarHBondContact CD2-O 2.93Å; H962-E966 VanDerWaalsContact CD2-O 3.28Å; H962-L967 HydrophobicContact CB-CD1 3.93Å; H962-K1054 PolarHBondContact CD2-NZ 2.92Å; H962-K1054 PolarHBondContact CE1-NZ 2.85Å; H962-K1054 PolarHBondContact NE2-NZ 2.88Å |
| 963 | F | 82.1 | Confident | 84.9 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 2% | 0.022 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 126.3 | 178.8 | -167.2 | -104.4 | 0 | 0 | 0 | 110.2 | N946 N965 E966 F1027 L1032 | N946-F963 HydrophobicContact CB-CD2 3.89Å; N946-F963 VanDerWaalsContact ND2-CD2 3.32Å; N946-F963 WeakPolarHBondContact ND2-CD2 3.23Å; N946-F963 VanDerWaalsContact OD1-CA 3.28Å; N946-F963 WeakPolarHBondContact OD1-CA 3.49Å; F963-N965 PolarHBondContact O-N 2.98Å; F963-E966 PolarHBondContact N-O 2.87Å; F963-E966 PolarHBondContact O-N 3.07Å; F963-F1027 HydrophobicContact CB-CD1 4.21Å; F963-F1027 HydrophobicContact CB-CE1 3.3Å; F963-F1027 HydrophobicContact CB-CE2 3.95Å; F963-F1027 HydrophobicContact CB-CZ 3.17Å; F963-F1027 AromaticContact CD1-CD1 3.93Å; F963-F1027 HydrophobicContact CD1-CD1 3.93Å; F963-F1027 HydrophobicContact CD1-CD2 4.19Å; F963-F1027 AromaticContact CD1-CE1 3.89Å; F963-F1027 HydrophobicContact CD1-CE1 3.89Å; F963-F1027 HydrophobicContact CD1-CE2 4.15Å; F963-F1027 HydrophobicContact CD1-CG 4.11Å; F963-F1027 HydrophobicContact CD1-CZ 4.03Å; F963-F1027 HydrophobicContact CD2-CD1 4.26Å; F963-F1027 AromaticContact CD2-CE1 3.97Å; F963-F1027 HydrophobicContact CD2-CE1 3.97Å; F963-F1027 HydrophobicContact CE1-CD1 4.32Å; F963-F1027 HydrophobicContact CE1-CG 4.41Å; F963-F1027 AromaticContact CG-CD1 3.9Å; F963-F1027 HydrophobicContact CG-CD1 3.9Å; F963-F1027 AromaticContact CG-CE1 3.48Å; F963-F1027 HydrophobicContact CG-CE1 3.48Å; F963-F1027 VanDerWaalsContact CG-CE1 3.48Å; F963-F1027 HydrophobicContact CG-CE2 4.35Å; F963-F1027 AromaticContact CG-CZ 3.77Å; F963-F1027 HydrophobicContact CG-CZ 3.77Å; F963-L1032 HydrophobicContact CD2-CD1 4.23Å |
| 964 | N | 79 | Confident | 84 | Confident | 94 Ų | 94 | 44.6 Ų | 44.6 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 43.1 | 175.5 | -59.5 | -6.9 | 0 | 0 | 0 | 113.1 | N946 E966 | N946-N964 PolarHBondContact ND2-OD1 2.64Å; N946-N964 PolarHBondContact OD1-N 2.68Å; N964-E966 PolarHBondContact O-N 3.48Å |
| 965 | N | 75.8 | Confident | 83 | Confident | 140 Ų | 140 | 46.6 Ų | 46.6 | 75% | 0.749 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | -5.8 | -172.7 | -75.1 | -28.1 | 0 | 0 | 0 | 117.7 | H962 F963 | H962-N965 WeakPolarHBondContact NE2-CA 3.06Å; F963-N965 PolarHBondContact O-N 2.98Å |
| 966 | E | 80.7 | Confident | 82.1 | Confident | 114 Ų | 114 | 47.8 Ų | 47.8 | 53% | 0.533 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 146.3 | 168 | -62.3 | -163.6 | 149 | 0 | 0 | 111.4 | H962 F963 N964 | H962-E966 WeakPolarHBondContact CA-O 3.3Å; H962-E966 PolarHBondContact CD2-O 2.93Å; H962-E966 VanDerWaalsContact CD2-O 3.28Å; F963-E966 PolarHBondContact N-O 2.87Å; F963-E966 PolarHBondContact O-N 3.07Å; N964-E966 PolarHBondContact O-N 3.48Å |
| 967 | L | 85 | Confident | 80.8 | Confident | 72 Ų | 72 | 53.7 Ų | 53.7 | 38% | 0.377 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 98.4 | -179.4 | -169 | 80 | 0 | 0 | 0 | 110.8 | F947 T960 I961 H962 K1054 | F947-L967 HydrophobicContact CZ-CD1 4.25Å; T960-L967 HydrophobicContact CG2-CD1 3.55Å; T960-L967 HydrophobicContact CG2-CD2 4.47Å; T960-L967 HydrophobicContact CG2-CG 3.94Å; I961-L967 CarbonylContact O-C 3.58Å; I961-L967 WeakPolarHBondContact O-CA 3.39Å; H962-L967 HydrophobicContact CB-CD1 3.93Å; L967-K1054 HydrophobicContact CD1-CB 4.21Å; L967-K1054 HydrophobicContact CD1-CD 4.28Å; L967-K1054 HydrophobicContact CD1-CG 4.29Å; L967-K1054 HydrophobicContact CD2-CB 4.45Å; L967-K1054 HydrophobicContact CD2-CG 4.34Å |
| 968 | I | 84.9 | Confident | 79.4 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 25% | 0.251 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 114.3 | 177 | -59 | 175.6 | 0 | 0 | 0 | 108.3 | T960 I961 I1021 L1023 F1027 | T960-I968 CarbonylContact C-O 3.33Å; T960-I968 WeakPolarHBondContact CA-O 3.21Å; I961-I968 PolarHBondContact N-O 3.46Å; I961-I968 PolarHBondContact O-N 2.84Å; I968-I1021 HydrophobicContact CG2-CG2 4.34Å; I968-L1023 HydrophobicContact CD1-CD2 3.85Å; I968-F1027 HydrophobicContact CD1-CE2 3.72Å; I968-F1027 HydrophobicContact CD1-CZ 4.14Å |
| 969 | T | 86 | Confident | 77.8 | Confident | 59 Ų | 59 | 68.3 Ų | 68.3 | 36% | 0.362 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 111.1 | 178.3 | -52.6 | 0 | 0 | 0 | 0 | 110.5 | L958 F959 | L958-T969 HydrophobicContact CD2-CG2 3.41Å; L958-T969 VanDerWaalsContact CD2-CG2 3.41Å; L958-T969 HydrophobicContact CG-CG2 3.89Å; F959-T969 CarbonylContact O-C 3.52Å; F959-T969 WeakPolarHBondContact O-CA 3.45Å |
| 970 | K | 86.2 | Confident | 76.9 | Confident | 88 Ų | 88 | 75.9 Ų | 75.9 | 38% | 0.383 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 140.2 | 167.3 | -84.3 | -140 | -175.2 | 173.3 | 0 | 111.2 | F959 N1020 I1021 | F959-K970 PolarHBondContact N-O 2.79Å; F959-K970 PolarHBondContact O-N 3.4Å; K970-N1020 PolarHBondContact NZ-O 2.83Å; K970-I1021 HydrophobicContact CB-CD1 4.22Å; K970-I1021 HydrophobicContact CD-CD1 4.38Å; K970-I1021 HydrophobicContact CD-CG1 3.96Å; K970-I1021 HydrophobicContact CG-CD1 4.32Å; K970-I1021 HydrophobicContact CG-CG1 4.31Å |
| 971 | K | 85.8 | Confident | 76.3 | Confident | 115 Ų | 115 | 76.5 Ų | 76.5 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.2 | 170.7 | -178.8 | 165.5 | -177.9 | 164.4 | 0 | 108.9 | L958 | L958-K971 HydrophobicContact CD1-CB 3.91Å; L958-K971 HydrophobicContact CD1-CD 4.18Å; L958-K971 HydrophobicContact CD1-CG 3.94Å |
| 972 | I | 81.9 | Confident | 76.2 | Confident | 5 Ų | 5 | 81.4 Ų | 81.4 | 3% | 0.026 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115.1 | -175.4 | -46.4 | -179.8 | 0 | 0 | 0 | 108.8 | L957 F959 I1005 I1007 T1019 | L957-I972 HydrophobicContact CB-CB 4.27Å; L957-I972 PolarHBondContact O-N 2.9Å; F959-I972 HydrophobicContact CB-CD1 4.15Å; I972-I1005 HydrophobicContact CD1-CB 4.11Å; I972-I1005 HydrophobicContact CD1-CD1 3.63Å; I972-I1005 HydrophobicContact CD1-CG1 4.47Å; I972-I1005 HydrophobicContact CD1-CG2 3.73Å; I972-I1007 HydrophobicContact CB-CD1 4.32Å; I972-I1007 HydrophobicContact CD1-CD1 4.44Å; I972-I1007 HydrophobicContact CG2-CD1 3.61Å; I972-I1007 HydrophobicContact CG2-CG1 4.5Å; I972-T1019 HydrophobicContact CG2-CG2 4.07Å |
| 973 | T | 70.9 | Confident | 76.2 | Confident | 67 Ų | 67 | 81.2 Ų | 81.2 | 41% | 0.411 | 40% | 0.398 | S | S | . | . | trans | -112.8 | 114.6 | 179.1 | 53.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 974 | A | 69.6 | Low | 76.4 | Confident | 1 Ų | 1 | 83.3 Ų | 83.3 | 1% | 0.008 | 41% | 0.409 | C | S | . | . | trans | -89.9 | 151.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V981 F983 L1015 T1017 | A974-V981 HydrophobicContact CB-CB 4.04Å; A974-V981 HydrophobicContact CB-CG2 4.15Å; A974-V981 PolarHBondContact O-N 2.97Å; A974-F983 HydrophobicContact CB-CE1 4.1Å; A974-F983 HydrophobicContact CB-CZ 3.73Å; A974-L1015 HydrophobicContact CB-CD1 4.28Å; A974-L1015 HydrophobicContact CB-CD2 4.33Å; A974-T1017 HydrophobicContact CB-CG2 3.99Å | ||
| 975 | M | 65.9 | Low | 76.7 | Confident | 117 Ų | 117 | 82.1 Ų | 82.1 | 58% | 0.576 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 127.9 | 176.2 | -60.5 | -168.3 | -58.7 | 0 | 0 | 110 | K979 L1015 | M975-K979 CarbonylContact C-O 3.53Å; M975-K979 VanDerWaalsContact CA-O 3.26Å; M975-K979 WeakPolarHBondContact CA-O 3.41Å; M975-L1015 WeakPolarHBondContact O-CD1 3.3Å |
| 976 | S | 65.4 | Low | 77.1 | Confident | 35 Ų | 35 | 78 Ų | 78 | 25% | 0.245 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.8 | 172.5 | -148.5 | 0 | 0 | 0 | 0 | 107.7 | N978 K979 | S976-N978 VanDerWaalsContact C-N 3.26Å; S976-N978 PolarHBondContact O-N 3.02Å; S976-N978 VanDerWaalsContact O-N 3.17Å; S976-K979 PolarHBondContact N-O 2.91Å; S976-K979 PolarHBondContact O-N 2.83Å |
| 977 | M | 60.9 | Low | 77.3 | Confident | 145 Ų | 145 | 77.4 Ų | 77.4 | 71% | 0.714 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 47 | 176.7 | -70.4 | -69.8 | -127.7 | 0 | 0 | 113.4 | K979 | M977-K979 PolarHBondContact O-N 3.04Š|
| 978 | N | 62.1 | Low | 77.4 | Confident | 158 Ų | 158 | 75.6 Ų | 75.6 | 85% | 0.845 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 12 | -175.6 | -64.1 | -22 | 0 | 0 | 0 | 116.7 | S976 | S976-N978 VanDerWaalsContact C-N 3.26Å; S976-N978 PolarHBondContact O-N 3.02Å; S976-N978 VanDerWaalsContact O-N 3.17Å |
| 979 | K | 56.5 | Low | 77.6 | Confident | 162 Ų | 162 | 73.7 Ų | 73.7 | 70% | 0.704 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 142.6 | 169.5 | -67.2 | -179.4 | -179.9 | 177.1 | 0 | 110.4 | M975 S976 M977 V981 | M975-K979 CarbonylContact C-O 3.53Å; M975-K979 VanDerWaalsContact CA-O 3.26Å; M975-K979 WeakPolarHBondContact CA-O 3.41Å; S976-K979 PolarHBondContact N-O 2.91Å; S976-K979 PolarHBondContact O-N 2.83Å; M977-K979 PolarHBondContact O-N 3.04Å; K979-V981 PolarHBondContact O-N 2.86Å |
| 980 | R | 72.6 | Confident | 77.8 | Confident | 161 Ų | 161 | 71.4 Ų | 71.4 | 61% | 0.608 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 133.4 | 169.5 | -78.6 | -176.6 | 175.2 | 163.4 | -0.2 | 109.7 | ||
| 981 | V | 77.1 | Confident | 78 | Confident | 15 Ų | 15 | 67.3 Ų | 67.3 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | trans | -78 | 140.6 | 170.7 | 177.1 | 0 | 0 | 0 | 0 | 109.3 | A974 K979 F983 Y989 L1015 | A974-V981 HydrophobicContact CB-CB 4.04Å; A974-V981 HydrophobicContact CB-CG2 4.15Å; A974-V981 PolarHBondContact O-N 2.97Å; K979-V981 PolarHBondContact O-N 2.86Å; V981-F983 HydrophobicContact CG1-CD1 3.94Å; V981-F983 HydrophobicContact CG1-CE1 3.91Å; V981-Y989 HydrophobicContact CG1-CE1 3.85Å; V981-Y989 VanDerWaalsContact CG1-OH 3.24Å; V981-Y989 WeakPolarHBondContact CG1-OH 2.97Å; V981-L1015 HydrophobicContact CG2-CD1 3.78Å; V981-L1015 HydrophobicContact CG2-CD2 4.15Å | ||
| 982 | F | 85.5 | Confident | 78.1 | Confident | 103 Ų | 103 | 62.8 Ų | 62.8 | 45% | 0.452 | 31% | 0.309 | S | S | . | . | trans | -117.9 | 117.2 | 170.6 | -65.6 | -79.4 | 0 | 0 | 0 | 107.4 | S955 Q956 N984 | S955-F982 CarbonylContact O-C 3.54Å; S955-F982 WeakPolarHBondContact O-CA 3.4Å; Q956-F982 HydrophobicContact CG-CD1 4.36Å; F982-N984 PolarHBondContact O-N 3.35Å | ||
| 983 | F | 87.6 | Confident | 78.4 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 23.7 | -167.4 | -53.9 | -78.3 | 0 | 0 | 0 | 114.3 | F927 L952 S955 L957 A974 V981 Y989 I1007 | F927-F983 HydrophobicContact CE2-CB 4.14Å; F927-F983 HydrophobicContact CZ-CB 3.87Å; F927-F983 HydrophobicContact CZ-CD1 4.44Å; F927-F983 HydrophobicContact CZ-CG 4.3Å; L952-F983 HydrophobicContact CD1-CB 4.01Å; L952-F983 HydrophobicContact CD1-CD2 4.34Å; S955-F983 PolarHBondContact O-N 2.92Å; L957-F983 HydrophobicContact CB-CD2 4.41Å; L957-F983 HydrophobicContact CB-CE2 4.21Å; L957-F983 HydrophobicContact CD1-CD1 4.42Å; L957-F983 HydrophobicContact CD1-CD2 3.86Å; L957-F983 HydrophobicContact CD1-CE1 4.35Å; L957-F983 HydrophobicContact CD1-CE2 3.79Å; L957-F983 HydrophobicContact CD1-CG 4.18Å; L957-F983 HydrophobicContact CD1-CZ 4.03Å; L957-F983 HydrophobicContact CG-CD2 3.83Å; L957-F983 HydrophobicContact CG-CE2 3.99Å; L957-F983 HydrophobicContact CG-CG 4.43Å; A974-F983 HydrophobicContact CB-CE1 4.1Å; A974-F983 HydrophobicContact CB-CZ 3.73Å; V981-F983 HydrophobicContact CG1-CD1 3.94Å; V981-F983 HydrophobicContact CG1-CE1 3.91Å; F983-Y989 HydrophobicContact CB-CD2 4.41Å; F983-Y989 HydrophobicContact CB-CE2 4.47Å; F983-Y989 AromaticContact CD1-CD1 3.7Å; F983-Y989 HydrophobicContact CD1-CD1 3.7Å; F983-Y989 AromaticContact CD1-CD2 3.89Å; F983-Y989 HydrophobicContact CD1-CD2 3.89Å; F983-Y989 AromaticContact CD1-CE1 3.8Å; F983-Y989 HydrophobicContact CD1-CE1 3.8Å; F983-Y989 AromaticContact CD1-CE2 4Å; F983-Y989 HydrophobicContact CD1-CE2 4Å; F983-Y989 AromaticContact CD1-CG 3.75Å; F983-Y989 HydrophobicContact CD1-CG 3.75Å; F983-Y989 AromaticContact CD1-CZ 3.97Å; F983-Y989 AromaticContact CE1-CD1 3.88Å; F983-Y989 HydrophobicContact CE1-CD1 3.88Å; F983-Y989 HydrophobicContact CE1-CE1 4.01Å; F983-Y989 HydrophobicContact CE1-CG 4.33Å; F983-I1007 HydrophobicContact CE1-CG2 4.06Å; F983-I1007 HydrophobicContact CZ-CD1 4.2Å |
| 984 | N | 86.1 | Confident | 78.8 | Confident | 48 Ų | 48 | 62 Ų | 62 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 19.3 | 176.2 | 86.2 | -57.7 | 0 | 0 | 0 | 112.9 | T929 S930 I931 S955 F982 S986 | T929-N984 HydrophobicContact CG2-CB 4.45Å; T929-N984 CarbonylContact O-C 3.55Å; T929-N984 VanDerWaalsContact O-CA 3.24Å; T929-N984 WeakPolarHBondContact O-CA 3.46Å; S930-N984 WeakPolarHBondContact CA-O 3Å; S930-N984 PolarHBondContact O-ND2 3.04Å; I931-N984 VanDerWaalsContact O-CB 3.28Å; I931-N984 WeakPolarHBondContact O-CB 3.37Å; S955-N984 WeakPolarHBondContact CB-OD1 3.36Å; S955-N984 PolarHBondContact OG-OD1 2.9Å; F982-N984 PolarHBondContact O-N 3.35Å; N984-S986 PolarHBondContact O-N 2.78Å |
| 985 | D | 83.7 | Confident | 79 | Confident | 70 Ų | 70 | 64.2 Ų | 64.2 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -75.2 | 5.9 | 176.8 | 63.7 | 2.5 | 0 | 0 | 0 | 114.2 | Q987 Y989 | D985-Q987 HydrophobicContact CB-CG 4.48Å; D985-Q987 PolarHBondContact O-N 3.14Å; D985-Q987 VanDerWaalsContact OD1-CB 3.3Å; D985-Q987 WeakPolarHBondContact OD1-CB 3.43Å; D985-Q987 PolarHBondContact OD1-N 2.77Å; D985-Q987 WeakPolarHBondContact OD2-CG 3.31Å; D985-Y989 WeakPolarHBondContact OD1-CE2 3.43Å; D985-Y989 PolarHBondContact OD2-OH 2.56Å |
| 986 | S | 84.7 | Confident | 78.9 | Confident | 53 Ų | 53 | 62.7 Ų | 62.7 | 37% | 0.371 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 59.9 | 19.8 | -173.1 | -55.3 | 0 | 0 | 0 | 0 | 115.8 | K928 T929 N984 | K928-S986 VanDerWaalsContact CD-O 3.3Å; K928-S986 WeakPolarHBondContact CD-O 3.31Å; K928-S986 WeakPolarHBondContact CE-O 3.39Å; K928-S986 WeakPolarHBondContact CG-O 3.23Å; T929-S986 VanDerWaalsContact O-CA 3.27Å; T929-S986 WeakPolarHBondContact O-CA 3.44Å; T929-S986 PolarHBondContact O-N 3.46Å; N984-S986 PolarHBondContact O-N 2.78Å |
| 987 | Q | 84.8 | Confident | 78.7 | Confident | 101 Ų | 101 | 65.3 Ų | 65.3 | 47% | 0.472 | 32% | 0.318 | S | S | . | . | trans | -84.9 | 168.7 | 165.8 | -57.7 | -53.6 | -50.1 | 0 | 0 | 111.8 | K928 D985 Y989 | K928-Q987 WeakPolarHBondContact CA-O 3.48Å; K928-Q987 VanDerWaalsContact CB-O 3.28Å; K928-Q987 WeakPolarHBondContact CB-O 3.33Å; K928-Q987 WeakPolarHBondContact CG-O 3.48Å; D985-Q987 HydrophobicContact CB-CG 4.48Å; D985-Q987 PolarHBondContact O-N 3.14Å; D985-Q987 VanDerWaalsContact OD1-CB 3.3Å; D985-Q987 WeakPolarHBondContact OD1-CB 3.43Å; D985-Q987 PolarHBondContact OD1-N 2.77Å; D985-Q987 WeakPolarHBondContact OD2-CG 3.31Å; Q987-Y989 HydrophobicContact CB-CE2 4.03Å | ||
| 988 | W | 86.9 | Confident | 78.5 | Confident | 34 Ų | 34 | 67.2 Ų | 67.2 | 13% | 0.129 | 32% | 0.322 | C | S | . | . | trans | -94.1 | 124.1 | 174 | -79 | 114.4 | 0 | 0 | 0 | 111.3 | Y896 P899 F927 K928 C1064 A1066 C1098 | Y896-W988 AromaticContact CD1-CD2 3.99Å; Y896-W988 HydrophobicContact CD1-CD2 3.99Å; Y896-W988 HydrophobicContact CD1-CE3 4.25Å; Y896-W988 HydrophobicContact CD1-CG 4.33Å; Y896-W988 HydrophobicContact CD1-CZ2 4.32Å; Y896-W988 AromaticContact CD2-NE1 3.87Å; Y896-W988 HydrophobicContact CE1-CB 3.81Å; Y896-W988 AromaticContact CE1-CD1 3.95Å; Y896-W988 AromaticContact CE1-CD2 3.69Å; Y896-W988 HydrophobicContact CE1-CD2 3.69Å; Y896-W988 HydrophobicContact CE1-CE3 4.12Å; Y896-W988 AromaticContact CE1-CG 3.6Å; Y896-W988 HydrophobicContact CE1-CG 3.6Å; Y896-W988 AromaticContact CE2-CD1 3.54Å; Y896-W988 HydrophobicContact CE2-CD2 4.49Å; Y896-W988 HydrophobicContact CE2-CG 4.04Å; Y896-W988 AromaticContact CE2-NE1 3.67Å; Y896-W988 HydrophobicContact CG-CZ2 4.28Å; Y896-W988 AromaticContact CZ-CD1 3.4Å; Y896-W988 VanDerWaalsContact CZ-CD1 3.4Å; Y896-W988 AromaticContact CZ-CD2 3.98Å; Y896-W988 AromaticContact CZ-CG 3.44Å; Y896-W988 VanDerWaalsContact CZ-CG 3.44Å; Y896-W988 AromaticContact CZ-NE1 3.87Å; Y896-W988 WeakPolarHBondContact OH-CB 3.35Å; P899-W988 HydrophobicContact CB-CH2 4.43Å; F927-W988 VanDerWaalsContact C-CE3 3.41Å; F927-W988 WeakPolarHBondContact O-CA 3.29Å; K928-W988 HydrophobicContact CB-CD2 3.67Å; K928-W988 HydrophobicContact CB-CE3 3.61Å; K928-W988 HydrophobicContact CB-CG 4.17Å; K928-W988 HydrophobicContact CB-CH2 4.5Å; K928-W988 HydrophobicContact CB-CZ3 4.03Å; K928-W988 HydrophobicContact CD-CD2 4.11Å; K928-W988 HydrophobicContact CD-CG 4.19Å; W988-C1064 HydrophobicContact CH2-CB 3.61Å; W988-C1064 HydrophobicContact CZ2-CB 4.26Å; W988-C1064 HydrophobicContact CZ3-CB 4.11Å; W988-A1066 HydrophobicContact CH2-CB 3.54Å; W988-A1066 HydrophobicContact CZ2-CB 4.33Å; W988-A1066 HydrophobicContact CZ3-CB 3.77Å; W988-C1098 HydrophobicContact CH2-CB 4.02Å; W988-C1098 HydrophobicContact CZ2-CB 3.47Å; W988-C1098 VanDerWaalsContact CZ2-CB 3.47Å; W988-C1098 VanDerWaalsContact CZ2-SG 3.53Å | ||
| 989 | Y | 89.9 | Confident | 78 | Confident | 10 Ų | 10 | 67.4 Ų | 67.4 | 4% | 0.039 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134.2 | 173.6 | -68 | -83.3 | 0 | 0 | 0 | 110.1 | S926 F927 V981 F983 D985 Q987 I1007 T1009 L1015 | S926-Y989 CarbonylContact C-O 3.54Å; S926-Y989 VanDerWaalsContact CA-O 3.24Å; S926-Y989 WeakPolarHBondContact CA-O 3.44Å; F927-Y989 WeakPolarHBondContact CD1-O 3.13Å; F927-Y989 HydrophobicContact CZ-CD2 4.49Å; F927-Y989 PolarHBondContact N-O 3.06Å; F927-Y989 PolarHBondContact O-N 3.33Å; V981-Y989 HydrophobicContact CG1-CE1 3.85Å; V981-Y989 VanDerWaalsContact CG1-OH 3.24Å; V981-Y989 WeakPolarHBondContact CG1-OH 2.97Å; F983-Y989 HydrophobicContact CB-CD2 4.41Å; F983-Y989 HydrophobicContact CB-CE2 4.47Å; F983-Y989 AromaticContact CD1-CD1 3.7Å; F983-Y989 HydrophobicContact CD1-CD1 3.7Å; F983-Y989 AromaticContact CD1-CD2 3.89Å; F983-Y989 HydrophobicContact CD1-CD2 3.89Å; F983-Y989 AromaticContact CD1-CE1 3.8Å; F983-Y989 HydrophobicContact CD1-CE1 3.8Å; F983-Y989 AromaticContact CD1-CE2 4Å; F983-Y989 HydrophobicContact CD1-CE2 4Å; F983-Y989 AromaticContact CD1-CG 3.75Å; F983-Y989 HydrophobicContact CD1-CG 3.75Å; F983-Y989 AromaticContact CD1-CZ 3.97Å; F983-Y989 AromaticContact CE1-CD1 3.88Å; F983-Y989 HydrophobicContact CE1-CD1 3.88Å; F983-Y989 HydrophobicContact CE1-CE1 4.01Å; F983-Y989 HydrophobicContact CE1-CG 4.33Å; D985-Y989 WeakPolarHBondContact OD1-CE2 3.43Å; D985-Y989 PolarHBondContact OD2-OH 2.56Å; Q987-Y989 HydrophobicContact CB-CE2 4.03Å; Y989-I1007 HydrophobicContact CD1-CG2 4.37Å; Y989-T1009 HydrophobicContact CD1-CG2 3.84Å; Y989-T1009 HydrophobicContact CE1-CG2 3.61Å; Y989-L1015 HydrophobicContact CD1-CD2 4.27Å; Y989-L1015 HydrophobicContact CE1-CD2 3.74Å |
| 990 | T | 89.6 | Confident | 77.9 | Confident | 10 Ų | 10 | 64.8 Ų | 64.8 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.2 | 175.5 | -57 | 0 | 0 | 0 | 0 | 110.2 | K924 F925 S926 I1007 N1008 | K924-T990 HydrophobicContact CG-CG2 4.15Å; F925-T990 WeakPolarHBondContact O-CA 3.41Å; S926-T990 PolarHBondContact OG-OG1 3.38Å; T990-I1007 WeakPolarHBondContact O-CA 3.46Å; T990-N1008 PolarHBondContact N-O 3.27Å; T990-N1008 PolarHBondContact O-N 3.07Å |
| 991 | I | 90.7 | Very high | 77.5 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 135.9 | 171.2 | -60 | -179.9 | 0 | 0 | 0 | 108.1 | K924 F925 F927 L936 I950 L957 I1005 I1007 | K924-I991 WeakPolarHBondContact CA-O 3.39Å; F925-I991 HydrophobicContact CE1-CB 4.3Å; F925-I991 HydrophobicContact CE1-CG2 4.37Å; F925-I991 HydrophobicContact CE2-CB 4.47Å; F925-I991 HydrophobicContact CE2-CD1 4.02Å; F925-I991 HydrophobicContact CZ-CB 4.19Å; F925-I991 HydrophobicContact CZ-CD1 3.85Å; F925-I991 HydrophobicContact CZ-CG1 4.49Å; F925-I991 HydrophobicContact CZ-CG2 4.46Å; F925-I991 PolarHBondContact N-O 2.78Å; F925-I991 PolarHBondContact O-N 2.86Å; F927-I991 HydrophobicContact CD1-CD1 3.87Å; F927-I991 HydrophobicContact CD1-CG1 4.04Å; F927-I991 HydrophobicContact CE1-CD1 3.58Å; F927-I991 HydrophobicContact CE1-CG1 3.79Å; L936-I991 HydrophobicContact CD1-CD1 4.4Å; I950-I991 HydrophobicContact CD1-CG2 4.28Å; I950-I991 HydrophobicContact CG2-CD1 4.13Å; L957-I991 HydrophobicContact CD1-CD1 3.92Å; L957-I991 HydrophobicContact CD2-CD1 4.19Å; I991-I1005 HydrophobicContact CG2-CG2 4.18Å; I991-I1007 HydrophobicContact CG1-CG1 4.43Å |
| 992 | E | 88.2 | Confident | 77.1 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 9% | 0.089 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 112.6 | 177.3 | -167.6 | 176.2 | -114.3 | 0 | 0 | 108.9 | L922 V923 K924 F994 R1006 | L922-E992 HydrophobicContact CD1-CG 4.23Å; V923-E992 WeakPolarHBondContact O-CA 3.38Å; K924-E992 HydrophobicContact CB-CG 4.31Å; K924-E992 HydrophobicContact CD-CG 4.27Å; K924-E992 WeakPolarHBondContact CD-OE1 3.41Å; K924-E992 WeakPolarHBondContact CE-OE1 3.26Å; K924-E992 HydrophobicContact CG-CB 4.29Å; K924-E992 HydrophobicContact CG-CG 4.11Å; K924-E992 IonicContact NZ-OE1 2.77Å; K924-E992 PolarHBondContact NZ-OE1 3.1Å; E992-F994 HydrophobicContact CG-CD1 4.2Å; E992-R1006 HydrophobicContact CB-CB 4.38Å; E992-R1006 PolarHBondContact N-O 3.11Å; E992-R1006 PolarHBondContact O-N 2.81Å; E992-R1006 IonicContact OE1-NH2 2.72Å; E992-R1006 IonicContact OE2-CZ 2.65Å; E992-R1006 IonicContact OE2-NE 3.96Å; E992-R1006 PolarHBondContact OE2-NE 2.97Å; E992-R1006 IonicContact OE2-NH2 2.65Å; E992-R1006 PolarHBondContact OE2-NH2 2.88Å |
| 993 | L | 87.5 | Confident | 76.7 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.8 | -174.7 | 175.5 | 85.1 | 0 | 0 | 0 | 108.4 | L921 L922 V923 L948 F959 L1003 T1004 I1005 | L921-L993 HydrophobicContact CD2-CD2 4.28Å; L922-L993 CarbonylContact C-O 3.49Å; L922-L993 WeakPolarHBondContact CA-O 3.36Å; V923-L993 HydrophobicContact CB-CB 4.22Å; V923-L993 HydrophobicContact CB-CD2 4.08Å; V923-L993 HydrophobicContact CG2-CD2 3.98Å; V923-L993 PolarHBondContact N-O 2.8Å; V923-L993 PolarHBondContact O-N 2.82Å; L948-L993 HydrophobicContact CD1-CD2 3.93Å; L948-L993 HydrophobicContact CD2-CD2 4.43Å; F959-L993 HydrophobicContact CE2-CD1 3.79Å; F959-L993 HydrophobicContact CZ-CD1 3.95Å; L993-L1003 HydrophobicContact CD1-CD2 3.34Å; L993-L1003 HydrophobicContact CG-CD2 3.78Å; L993-T1004 WeakPolarHBondContact CA-O 3.23Å; L993-I1005 HydrophobicContact CD1-CD1 3.96Å; L993-I1005 HydrophobicContact CD1-CG1 3.43Å; L993-I1005 VanDerWaalsContact CD1-CG1 3.43Å |
| 994 | F | 80 | Confident | 76.3 | Confident | 54 Ų | 54 | 54 Ų | 54 | 24% | 0.237 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 156.7 | -176.6 | 60.2 | -80.7 | 0 | 0 | 0 | 113.7 | L921 L922 E992 V996 T1004 R1006 | L921-F994 WeakPolarHBondContact O-CA 3.4Å; L922-F994 HydrophobicContact CD1-CB 3.93Å; E992-F994 HydrophobicContact CG-CD1 4.2Å; F994-V996 HydrophobicContact CD2-CG2 4.29Å; F994-V996 HydrophobicContact CE2-CG2 3.93Å; F994-T1004 HydrophobicContact CE1-CG2 4.07Å; F994-T1004 HydrophobicContact CE2-CG2 4.41Å; F994-T1004 HydrophobicContact CZ-CG2 3.85Å; F994-T1004 PolarHBondContact N-O 2.88Å; F994-T1004 PolarHBondContact O-N 2.77Å; F994-R1006 HydrophobicContact CE1-CB 4.1Å |
| 995 | K | 73.5 | Confident | 76.3 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 21% | 0.209 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 124.3 | 167.8 | -159 | -173.6 | -175.6 | -175.4 | 0 | 109.1 | L921 N997 K998 N1000 N1001 I1029 | L921-K995 PolarHBondContact O-N 2.78Å; K995-N997 VanDerWaalsContact CD-O 3.24Å; K995-N997 WeakPolarHBondContact CD-O 3.14Å; K995-N997 WeakPolarHBondContact CE-O 3.18Å; K995-N997 WeakPolarHBondContact CG-O 3.25Å; K995-K998 PolarHBondContact NZ-O 2.81Å; K995-N1000 WeakPolarHBondContact CE-O 3.48Å; K995-N1000 PolarHBondContact NZ-O 3.04Å; K995-N1001 PolarHBondContact NZ-OD1 3.06Å; K995-I1029 HydrophobicContact CD-CD1 4.08Å; K995-I1029 HydrophobicContact CG-CD1 4.48Å |
| 996 | V | 63.9 | Low | 76.4 | Confident | 86 Ų | 86 | 52.8 Ų | 52.8 | 52% | 0.521 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -71.9 | -37.3 | -174.5 | 179.6 | 0 | 0 | 0 | 0 | 112.4 | F994 T1004 | F994-V996 HydrophobicContact CD2-CG2 4.29Å; F994-V996 HydrophobicContact CE2-CG2 3.93Å; V996-T1004 WeakPolarHBondContact CG2-OG1 3.25Å |
| 997 | N | 60.9 | Low | 76.4 | Confident | 90 Ų | 90 | 50.3 Ų | 50.3 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | trans | -143.4 | 156.4 | -177 | -149.8 | -4.6 | 0 | 0 | 0 | 110.5 | K995 | K995-N997 VanDerWaalsContact CD-O 3.24Å; K995-N997 WeakPolarHBondContact CD-O 3.14Å; K995-N997 WeakPolarHBondContact CE-O 3.18Å; K995-N997 WeakPolarHBondContact CG-O 3.25Å | ||
| 998 | K | 55.9 | Low | 76.1 | Confident | 185 Ų | 185 | 46.7 Ų | 46.7 | 80% | 0.804 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -67.6 | -39.6 | -179.7 | -78.1 | -178.3 | 178.8 | 173.8 | 0 | 111.9 | K995 | K995-K998 PolarHBondContact NZ-O 2.81Š|
| 999 | E | 52.7 | Low | 75.1 | Confident | 162 Ų | 162 | 46 Ų | 46 | 76% | 0.757 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -79.1 | -56.6 | -169.3 | -63.7 | 169.3 | 161.5 | 0 | 0 | 112.3 | N1001 | E999-N1001 PolarHBondContact O-N 3.47Š|
| 1000 | N | 53.8 | Low | 73.5 | Confident | 106 Ų | 106 | 50 Ų | 50 | 57% | 0.567 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -71.3 | 129.1 | 178.9 | -66.2 | 9.4 | 0 | 0 | 0 | 111.4 | K995 S1002 | K995-N1000 WeakPolarHBondContact CE-O 3.48Å; K995-N1000 PolarHBondContact NZ-O 3.04Å; N1000-S1002 PolarHBondContact O-N 2.91Å |
| 1001 | N | 64.3 | Low | 71.5 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 19% | 0.187 | 27% | 0.27 | C | S | . | . | trans | -77.4 | 33 | 175.6 | -79 | -23.1 | 0 | 0 | 0 | 114.5 | K995 E999 L1023 F1027 | K995-N1001 PolarHBondContact NZ-OD1 3.06Å; E999-N1001 PolarHBondContact O-N 3.47Å; N1001-L1023 HydrophobicContact CB-CB 4.49Å; N1001-L1023 VanDerWaalsContact O-CB 3.31Å; N1001-L1023 WeakPolarHBondContact O-CB 3.32Å; N1001-L1023 PolarHBondContact O-N 3.17Å; N1001-F1027 PolarHBondContact ND2-O 3.11Å | ||
| 1002 | S | 68.2 | Low | 69.3 | Low | 13 Ų | 13 | 56.1 Ų | 56.1 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 135.2 | 172.3 | 61.1 | 0 | 0 | 0 | 0 | 111.8 | N1000 I1021 D1022 | N1000-S1002 PolarHBondContact O-N 2.91Å; S1002-I1021 WeakPolarHBondContact CA-O 3.36Å; S1002-D1022 VanDerWaalsContact CB-OD1 3.3Å; S1002-D1022 WeakPolarHBondContact CB-OD1 3.49Å |
| 1003 | L | 77.2 | Confident | 67.4 | Low | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123.8 | -178.6 | -144 | 171.7 | 0 | 0 | 0 | 108.2 | L921 I961 L993 I1021 L1023 I1029 | L921-L1003 HydrophobicContact CD2-CD1 4.12Å; L921-L1003 HydrophobicContact CD2-CD2 4.37Å; L921-L1003 HydrophobicContact CD2-CG 4.48Å; I961-L1003 HydrophobicContact CD1-CD1 4.39Å; L993-L1003 HydrophobicContact CD1-CD2 3.34Å; L993-L1003 HydrophobicContact CG-CD2 3.78Å; L1003-I1021 PolarHBondContact N-O 2.92Å; L1003-I1021 WeakPolarHBondContact O-CB 3.4Å; L1003-I1021 PolarHBondContact O-N 2.76Å; L1003-L1023 HydrophobicContact CB-CD1 4.23Å; L1003-L1023 HydrophobicContact CD1-CD1 4.12Å; L1003-I1029 HydrophobicContact CD1-CD1 4.4Å |
| 1004 | T | 80.8 | Confident | 65.6 | Low | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.018 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 133.3 | -172.9 | -64.2 | 0 | 0 | 0 | 0 | 110.8 | L993 F994 V996 N1020 | L993-T1004 WeakPolarHBondContact CA-O 3.23Å; F994-T1004 HydrophobicContact CE1-CG2 4.07Å; F994-T1004 HydrophobicContact CE2-CG2 4.41Å; F994-T1004 HydrophobicContact CZ-CG2 3.85Å; F994-T1004 PolarHBondContact N-O 2.88Å; F994-T1004 PolarHBondContact O-N 2.77Å; V996-T1004 WeakPolarHBondContact CG2-OG1 3.25Å; T1004-N1020 WeakPolarHBondContact CG2-OD1 3.42Å; T1004-N1020 PolarHBondContact OG1-OD1 2.87Å |
| 1005 | I | 85.8 | Confident | 64.3 | Low | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.015 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.8 | 165.9 | -64.8 | 166.2 | 0 | 0 | 0 | 108.3 | F959 I972 I991 L993 I1007 T1018 T1019 I1021 | F959-I1005 HydrophobicContact CB-CD1 3.79Å; F959-I1005 HydrophobicContact CD1-CD1 3.83Å; F959-I1005 HydrophobicContact CD2-CD1 3.41Å; F959-I1005 VanDerWaalsContact CD2-CD1 3.41Å; F959-I1005 HydrophobicContact CE1-CD1 4.14Å; F959-I1005 HydrophobicContact CE2-CD1 3.76Å; F959-I1005 HydrophobicContact CG-CD1 3.39Å; F959-I1005 HydrophobicContact CZ-CD1 4.09Å; I972-I1005 HydrophobicContact CD1-CB 4.11Å; I972-I1005 HydrophobicContact CD1-CD1 3.63Å; I972-I1005 HydrophobicContact CD1-CG1 4.47Å; I972-I1005 HydrophobicContact CD1-CG2 3.73Å; I991-I1005 HydrophobicContact CG2-CG2 4.18Å; L993-I1005 HydrophobicContact CD1-CD1 3.96Å; L993-I1005 HydrophobicContact CD1-CG1 3.43Å; L993-I1005 VanDerWaalsContact CD1-CG1 3.43Å; I1005-I1007 HydrophobicContact CG2-CG1 4.03Å; I1005-T1018 CarbonylContact O-C 3.04Å; I1005-T1018 WeakPolarHBondContact O-CA 3Å; I1005-T1019 PolarHBondContact N-O 2.8Å; I1005-T1019 PolarHBondContact O-N 2.89Å; I1005-I1021 HydrophobicContact CD1-CD1 4.23Å |
| 1006 | R | 84.8 | Confident | 63.4 | Low | 90 Ų | 90 | 68.3 Ų | 68.3 | 34% | 0.34 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 134.9 | 168.5 | -176.2 | 166.9 | 77.1 | 140.3 | -9.8 | 109.5 | E992 F994 N1008 T1017 T1018 | E992-R1006 HydrophobicContact CB-CB 4.38Å; E992-R1006 PolarHBondContact N-O 3.11Å; E992-R1006 PolarHBondContact O-N 2.81Å; E992-R1006 IonicContact OE1-NH2 2.72Å; E992-R1006 IonicContact OE2-CZ 2.65Å; E992-R1006 IonicContact OE2-NE 3.96Å; E992-R1006 PolarHBondContact OE2-NE 2.97Å; E992-R1006 IonicContact OE2-NH2 2.65Å; E992-R1006 PolarHBondContact OE2-NH2 2.88Å; F994-R1006 HydrophobicContact CE1-CB 4.1Å; R1006-N1008 VanDerWaalsContact CG-OD1 3.26Å; R1006-N1008 WeakPolarHBondContact CG-OD1 3.41Å; R1006-N1008 PolarHBondContact NE-ND2 3.36Å; R1006-T1017 CarbonylContact C-O 3.44Å; R1006-T1017 WeakPolarHBondContact CA-O 3.34Å; R1006-T1018 HydrophobicContact CB-CG2 4.04Å; R1006-T1018 HydrophobicContact CG-CG2 3.93Å |
| 1007 | I | 84.5 | Confident | 63.4 | Low | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122.9 | 173.1 | -51.4 | -177.8 | 0 | 0 | 0 | 108.8 | L957 I972 F983 Y989 T990 I991 I1005 S1016 T1017 | L957-I1007 HydrophobicContact CD1-CD1 3.48Å; L957-I1007 VanDerWaalsContact CD1-CD1 3.48Å; I972-I1007 HydrophobicContact CB-CD1 4.32Å; I972-I1007 HydrophobicContact CD1-CD1 4.44Å; I972-I1007 HydrophobicContact CG2-CD1 3.61Å; I972-I1007 HydrophobicContact CG2-CG1 4.5Å; F983-I1007 HydrophobicContact CE1-CG2 4.06Å; F983-I1007 HydrophobicContact CZ-CD1 4.2Å; Y989-I1007 HydrophobicContact CD1-CG2 4.37Å; T990-I1007 WeakPolarHBondContact O-CA 3.46Å; I991-I1007 HydrophobicContact CG1-CG1 4.43Å; I1005-I1007 HydrophobicContact CG2-CG1 4.03Å; I1007-S1016 WeakPolarHBondContact O-CA 3.34Å; I1007-T1017 PolarHBondContact N-O 3.14Å; I1007-T1017 PolarHBondContact O-N 3.33Å |
| 1008 | N | 78.3 | Confident | 63.5 | Low | 26 Ų | 26 | 65.8 Ų | 65.8 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 156 | -179.9 | -44.2 | -52.8 | 0 | 0 | 0 | 111.7 | T990 R1006 L1015 S1016 | T990-N1008 PolarHBondContact N-O 3.27Å; T990-N1008 PolarHBondContact O-N 3.07Å; R1006-N1008 VanDerWaalsContact CG-OD1 3.26Å; R1006-N1008 WeakPolarHBondContact CG-OD1 3.41Å; R1006-N1008 PolarHBondContact NE-ND2 3.36Å; N1008-L1015 VanDerWaalsContact CA-O 3.29Å; N1008-L1015 WeakPolarHBondContact CA-O 3.38Å; N1008-S1016 VanDerWaalsContact OD1-CB 3.23Å; N1008-S1016 WeakPolarHBondContact OD1-CB 3.37Å |
| 1009 | T | 67.2 | Low | 64.2 | Low | 18 Ų | 18 | 58.7 Ų | 58.7 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | trans | -98.9 | 155.8 | 153.3 | 80.4 | 0 | 0 | 0 | 0 | 109.8 | Y989 T1011 S1012 L1015 | Y989-T1009 HydrophobicContact CD1-CG2 3.84Å; Y989-T1009 HydrophobicContact CE1-CG2 3.61Å; T1009-T1011 PolarHBondContact OG1-N 2.85Å; T1009-T1011 PolarHBondContact OG1-OG1 2.87Å; T1009-S1012 PolarHBondContact OG1-N 2.89Å; T1009-S1012 PolarHBondContact OG1-O 2.76Å; T1009-S1012 PolarHBondContact OG1-OG 3.18Å; T1009-S1012 VanDerWaalsContact OG1-OG 3.09Å; T1009-L1015 HydrophobicContact CG2-CB 4.22Å; T1009-L1015 HydrophobicContact CG2-CD2 3.72Å; T1009-L1015 PolarHBondContact N-O 3.02Å | ||
| 1010 | Q | 55.5 | Low | 65.2 | Low | 95 Ų | 95 | 54.9 Ų | 54.9 | 44% | 0.444 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -89.9 | -3.2 | 171.7 | -72.9 | 169.5 | -77 | 0 | 0 | 112.7 | I894 Y896 | I894-Q1010 HydrophobicContact CD1-CB 3.86Å; I894-Q1010 HydrophobicContact CG2-CB 4.03Å; Y896-Q1010 VanDerWaalsContact CE1-OE1 3.24Å; Y896-Q1010 PolarHBondContact OH-OE1 2.77Å |
| 1011 | T | 47.5 | Very low | 66.1 | Low | 101 Ų | 101 | 50 Ų | 50 | 62% | 0.62 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -103.9 | -24.4 | -176.4 | 45.2 | 0 | 0 | 0 | 0 | 114.1 | I894 T1009 | I894-T1011 HydrophobicContact CD1-CG2 3.47Å; I894-T1011 VanDerWaalsContact CD1-CG2 3.47Å; T1009-T1011 PolarHBondContact OG1-N 2.85Å; T1009-T1011 PolarHBondContact OG1-OG1 2.87Å |
| 1012 | S | 45.5 | Very low | 66.4 | Low | 40 Ų | 40 | 54.1 Ų | 54.1 | 28% | 0.28 | 29% | 0.294 | S | S | . | . | trans | -130.2 | 126.2 | 175.3 | 66.7 | 0 | 0 | 0 | 0 | 112.5 | T1009 E1014 L1015 | T1009-S1012 PolarHBondContact OG1-N 2.89Å; T1009-S1012 PolarHBondContact OG1-O 2.76Å; T1009-S1012 PolarHBondContact OG1-OG 3.18Å; T1009-S1012 VanDerWaalsContact OG1-OG 3.09Å; S1012-E1014 PolarHBondContact O-N 3.36Å; S1012-L1015 PolarHBondContact O-N 3.3Å | ||
| 1013 | I | 48.2 | Very low | 66.3 | Low | 172 Ų | 172 | 53.9 Ų | 53.9 | 88% | 0.882 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -26.6 | 175.5 | -61 | 168.6 | 0 | 0 | 0 | 110.8 | L1015 | I1013-L1015 VanDerWaalsContact C-N 3.29Å; I1013-L1015 PolarHBondContact O-N 2.74Å |
| 1014 | E | 50 | Low | 65.6 | Low | 127 Ų | 127 | 59.1 Ų | 59.1 | 59% | 0.593 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22.3 | -178.9 | -59.3 | -178.5 | 159.7 | 0 | 0 | 114.1 | S1012 | S1012-E1014 PolarHBondContact O-N 3.36Š|
| 1015 | L | 51.1 | Low | 64.4 | Low | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | trans | -105.5 | 86.8 | -179.7 | -153.3 | 86.3 | 0 | 0 | 0 | 112.2 | A974 M975 V981 Y989 N1008 T1009 S1012 I1013 | A974-L1015 HydrophobicContact CB-CD1 4.28Å; A974-L1015 HydrophobicContact CB-CD2 4.33Å; M975-L1015 WeakPolarHBondContact O-CD1 3.3Å; V981-L1015 HydrophobicContact CG2-CD1 3.78Å; V981-L1015 HydrophobicContact CG2-CD2 4.15Å; Y989-L1015 HydrophobicContact CD1-CD2 4.27Å; Y989-L1015 HydrophobicContact CE1-CD2 3.74Å; N1008-L1015 VanDerWaalsContact CA-O 3.29Å; N1008-L1015 WeakPolarHBondContact CA-O 3.38Å; T1009-L1015 HydrophobicContact CG2-CB 4.22Å; T1009-L1015 HydrophobicContact CG2-CD2 3.72Å; T1009-L1015 PolarHBondContact N-O 3.02Å; S1012-L1015 PolarHBondContact O-N 3.3Å; I1013-L1015 VanDerWaalsContact C-N 3.29Å; I1013-L1015 PolarHBondContact O-N 2.74Å | ||
| 1016 | S | 56.6 | Low | 62.8 | Low | 76 Ų | 76 | 72.5 Ų | 72.5 | 53% | 0.531 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 119.5 | 157.1 | 59.2 | 0 | 0 | 0 | 0 | 109 | I1007 N1008 | I1007-S1016 WeakPolarHBondContact O-CA 3.34Å; N1008-S1016 VanDerWaalsContact OD1-CB 3.23Å; N1008-S1016 WeakPolarHBondContact OD1-CB 3.37Å |
| 1017 | T | 62 | Low | 61.6 | Low | 31 Ų | 31 | 68.5 Ų | 68.5 | 19% | 0.19 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.6 | 174.4 | 51.2 | 0 | 0 | 0 | 0 | 110.7 | A974 R1006 I1007 | A974-T1017 HydrophobicContact CB-CG2 3.99Å; R1006-T1017 CarbonylContact C-O 3.44Å; R1006-T1017 WeakPolarHBondContact CA-O 3.34Å; I1007-T1017 PolarHBondContact N-O 3.14Å; I1007-T1017 PolarHBondContact O-N 3.33Å |
| 1018 | T | 64.2 | Low | 60.7 | Low | 92 Ų | 92 | 72.6 Ų | 72.6 | 56% | 0.564 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.3 | 176.6 | 42.6 | 0 | 0 | 0 | 0 | 109.5 | I1005 R1006 | I1005-T1018 CarbonylContact O-C 3.04Å; I1005-T1018 WeakPolarHBondContact O-CA 3Å; R1006-T1018 HydrophobicContact CB-CG2 4.04Å; R1006-T1018 HydrophobicContact CG-CG2 3.93Å |
| 1019 | T | 71.2 | Confident | 59.9 | Low | 35 Ų | 35 | 72.3 Ų | 72.3 | 22% | 0.215 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 112.4 | 172 | 51.8 | 0 | 0 | 0 | 0 | 109.2 | I972 I1005 | I972-T1019 HydrophobicContact CG2-CG2 4.07Å; I1005-T1019 PolarHBondContact N-O 2.8Å; I1005-T1019 PolarHBondContact O-N 2.89Å |
| 1020 | N | 72.4 | Confident | 59.8 | Low | 82 Ų | 82 | 77.3 Ų | 77.3 | 44% | 0.439 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 145.3 | 170.1 | -66.9 | -3.4 | 0 | 0 | 0 | 109.5 | K970 T1004 | K970-N1020 PolarHBondContact NZ-O 2.83Å; T1004-N1020 WeakPolarHBondContact CG2-OD1 3.42Å; T1004-N1020 PolarHBondContact OG1-OD1 2.87Å |
| 1021 | I | 73.9 | Confident | 60.2 | Low | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.015 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 100.8 | 177.1 | -55.8 | 179.5 | 0 | 0 | 0 | 105.9 | F959 I968 K970 S1002 L1003 I1005 L1023 | F959-I1021 HydrophobicContact CD1-CD1 3.22Å; F959-I1021 HydrophobicContact CE1-CD1 3.35Å; F959-I1021 HydrophobicContact CG-CD1 4.25Å; F959-I1021 HydrophobicContact CZ-CD1 4.46Å; I968-I1021 HydrophobicContact CG2-CG2 4.34Å; K970-I1021 HydrophobicContact CB-CD1 4.22Å; K970-I1021 HydrophobicContact CD-CD1 4.38Å; K970-I1021 HydrophobicContact CD-CG1 3.96Å; K970-I1021 HydrophobicContact CG-CD1 4.32Å; K970-I1021 HydrophobicContact CG-CG1 4.31Å; S1002-I1021 WeakPolarHBondContact CA-O 3.36Å; L1003-I1021 PolarHBondContact N-O 2.92Å; L1003-I1021 WeakPolarHBondContact O-CB 3.4Å; L1003-I1021 PolarHBondContact O-N 2.76Å; I1005-I1021 HydrophobicContact CD1-CD1 4.23Å; I1021-L1023 HydrophobicContact CG2-CD2 4.01Å; I1021-L1023 PolarHBondContact O-N 3.02Å |
| 1022 | D | 70.3 | Confident | 61.1 | Low | 123 Ų | 123 | 72.9 Ų | 72.9 | 66% | 0.658 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 123.8 | 172.6 | -55.7 | -56.2 | 0 | 0 | 0 | 108.3 | S1002 | S1002-D1022 VanDerWaalsContact CB-OD1 3.3Å; S1002-D1022 WeakPolarHBondContact CB-OD1 3.49Å |
| 1023 | L | 66 | Low | 62.2 | Low | 8 Ų | 8 | 71.8 Ų | 71.8 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -102.7 | 127.2 | 172.4 | -53 | 170.3 | 0 | 0 | 0 | 107 | I961 I968 N1001 L1003 I1021 F1027 I1029 | I961-L1023 HydrophobicContact CD1-CD1 4.46Å; I961-L1023 HydrophobicContact CD1-CD2 3.96Å; I968-L1023 HydrophobicContact CD1-CD2 3.85Å; N1001-L1023 HydrophobicContact CB-CB 4.49Å; N1001-L1023 VanDerWaalsContact O-CB 3.31Å; N1001-L1023 WeakPolarHBondContact O-CB 3.32Å; N1001-L1023 PolarHBondContact O-N 3.17Å; L1003-L1023 HydrophobicContact CB-CD1 4.23Å; L1003-L1023 HydrophobicContact CD1-CD1 4.12Å; I1021-L1023 HydrophobicContact CG2-CD2 4.01Å; I1021-L1023 PolarHBondContact O-N 3.02Å; L1023-F1027 HydrophobicContact CB-CB 3.63Å; L1023-F1027 HydrophobicContact CB-CD1 4.4Å; L1023-F1027 HydrophobicContact CB-CD2 3.93Å; L1023-F1027 HydrophobicContact CB-CG 3.76Å; L1023-F1027 HydrophobicContact CD1-CB 4.27Å; L1023-F1027 HydrophobicContact CD1-CD1 3.95Å; L1023-F1027 HydrophobicContact CD1-CE1 4.45Å; L1023-F1027 HydrophobicContact CD1-CG 4.14Å; L1023-F1027 HydrophobicContact CD2-CD1 4.45Å; L1023-F1027 HydrophobicContact CD2-CD2 4.34Å; L1023-F1027 HydrophobicContact CD2-CE1 4.38Å; L1023-F1027 HydrophobicContact CD2-CE2 4.27Å; L1023-F1027 HydrophobicContact CD2-CG 4.4Å; L1023-F1027 HydrophobicContact CD2-CZ 4.26Å; L1023-F1027 HydrophobicContact CG-CG 4.32Å; L1023-I1029 HydrophobicContact CD1-CD1 4.16Å; L1023-I1029 HydrophobicContact CD1-CG1 4.2Å |
| 1024 | N | 62.9 | Low | 63.1 | Low | 112 Ų | 112 | 66.1 Ų | 66.1 | 60% | 0.599 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 150.2 | 176 | -70.4 | -20.2 | 0 | 0 | 0 | 110.7 | I1026 F1027 | N1024-I1026 PolarHBondContact O-N 2.72Å; N1024-F1027 WeakPolarHBondContact O-CB 3.43Å; N1024-F1027 PolarHBondContact O-N 2.82Å |
| 1025 | D | 54.9 | Low | 64 | Low | 148 Ų | 148 | 65 Ų | 65 | 79% | 0.791 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -17.9 | -168.7 | -59 | -53.1 | 0 | 0 | 0 | 115.8 | F1027 | D1025-F1027 PolarHBondContact O-N 3.25Š|
| 1026 | I | 52.4 | Low | 65.3 | Low | 139 Ų | 139 | 64.8 Ų | 64.8 | 71% | 0.713 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.4 | 173.4 | -54.1 | 175.3 | 0 | 0 | 0 | 112.4 | N1024 N1028 | N1024-I1026 PolarHBondContact O-N 2.72Å; I1026-N1028 PolarHBondContact O-N 2.75Å |
| 1027 | F | 59.1 | Low | 66.7 | Low | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | trans | -76.8 | 84.5 | -177.4 | -107.9 | -85.8 | 0 | 0 | 0 | 113.7 | I961 F963 I968 N1001 L1023 N1024 D1025 I1029 | I961-F1027 HydrophobicContact CG2-CE1 3.52Å; I961-F1027 HydrophobicContact CG2-CZ 3.59Å; F963-F1027 HydrophobicContact CB-CD1 4.21Å; F963-F1027 HydrophobicContact CB-CE1 3.3Å; F963-F1027 HydrophobicContact CB-CE2 3.95Å; F963-F1027 HydrophobicContact CB-CZ 3.17Å; F963-F1027 AromaticContact CD1-CD1 3.93Å; F963-F1027 HydrophobicContact CD1-CD1 3.93Å; F963-F1027 HydrophobicContact CD1-CD2 4.19Å; F963-F1027 AromaticContact CD1-CE1 3.89Å; F963-F1027 HydrophobicContact CD1-CE1 3.89Å; F963-F1027 HydrophobicContact CD1-CE2 4.15Å; F963-F1027 HydrophobicContact CD1-CG 4.11Å; F963-F1027 HydrophobicContact CD1-CZ 4.03Å; F963-F1027 HydrophobicContact CD2-CD1 4.26Å; F963-F1027 AromaticContact CD2-CE1 3.97Å; F963-F1027 HydrophobicContact CD2-CE1 3.97Å; F963-F1027 HydrophobicContact CE1-CD1 4.32Å; F963-F1027 HydrophobicContact CE1-CG 4.41Å; F963-F1027 AromaticContact CG-CD1 3.9Å; F963-F1027 HydrophobicContact CG-CD1 3.9Å; F963-F1027 AromaticContact CG-CE1 3.48Å; F963-F1027 HydrophobicContact CG-CE1 3.48Å; F963-F1027 VanDerWaalsContact CG-CE1 3.48Å; F963-F1027 HydrophobicContact CG-CE2 4.35Å; F963-F1027 AromaticContact CG-CZ 3.77Å; F963-F1027 HydrophobicContact CG-CZ 3.77Å; I968-F1027 HydrophobicContact CD1-CE2 3.72Å; I968-F1027 HydrophobicContact CD1-CZ 4.14Å; N1001-F1027 PolarHBondContact ND2-O 3.11Å; L1023-F1027 HydrophobicContact CB-CB 3.63Å; L1023-F1027 HydrophobicContact CB-CD1 4.4Å; L1023-F1027 HydrophobicContact CB-CD2 3.93Å; L1023-F1027 HydrophobicContact CB-CG 3.76Å; L1023-F1027 HydrophobicContact CD1-CB 4.27Å; L1023-F1027 HydrophobicContact CD1-CD1 3.95Å; L1023-F1027 HydrophobicContact CD1-CE1 4.45Å; L1023-F1027 HydrophobicContact CD1-CG 4.14Å; L1023-F1027 HydrophobicContact CD2-CD1 4.45Å; L1023-F1027 HydrophobicContact CD2-CD2 4.34Å; L1023-F1027 HydrophobicContact CD2-CE1 4.38Å; L1023-F1027 HydrophobicContact CD2-CE2 4.27Å; L1023-F1027 HydrophobicContact CD2-CG 4.4Å; L1023-F1027 HydrophobicContact CD2-CZ 4.26Å; L1023-F1027 HydrophobicContact CG-CG 4.32Å; N1024-F1027 WeakPolarHBondContact O-CB 3.43Å; N1024-F1027 PolarHBondContact O-N 2.82Å; D1025-F1027 PolarHBondContact O-N 3.25Å; F1027-I1029 PolarHBondContact O-N 3.04Å | ||
| 1028 | N | 64.5 | Low | 68.1 | Low | 87 Ų | 87 | 61.5 Ų | 61.5 | 47% | 0.465 | 33% | 0.325 | S | S | . | . | trans | -75 | 90.5 | 168.6 | -170.6 | -10.1 | 0 | 0 | 0 | 111.3 | I1026 K1030 Q1031 | I1026-N1028 PolarHBondContact O-N 2.75Å; N1028-K1030 PolarHBondContact O-N 3.35Å; N1028-K1030 VanDerWaalsContact O-N 3.08Å; N1028-K1030 PolarHBondContact OD1-N 3.11Å; N1028-Q1031 HydrophobicContact CB-CB 4.45Å; N1028-Q1031 VanDerWaalsContact O-CB 3.31Å; N1028-Q1031 WeakPolarHBondContact O-CB 3.3Å; N1028-Q1031 PolarHBondContact O-N 3.42Å | ||
| 1029 | I | 63.4 | Low | 69.4 | Low | 20 Ų | 20 | 57.3 Ų | 57.3 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -36.9 | -178.5 | -63.3 | 174.8 | 0 | 0 | 0 | 112.5 | L921 K995 L1003 L1023 F1027 Q1031 L1032 F1033 | L921-I1029 HydrophobicContact CD2-CG2 4.41Å; K995-I1029 HydrophobicContact CD-CD1 4.08Å; K995-I1029 HydrophobicContact CG-CD1 4.48Å; L1003-I1029 HydrophobicContact CD1-CD1 4.4Å; L1023-I1029 HydrophobicContact CD1-CD1 4.16Å; L1023-I1029 HydrophobicContact CD1-CG1 4.2Å; F1027-I1029 PolarHBondContact O-N 3.04Å; I1029-Q1031 PolarHBondContact O-N 3.02Å; I1029-L1032 WeakPolarHBondContact O-CB 3.34Å; I1029-L1032 PolarHBondContact O-N 3.49Å; I1029-F1033 HydrophobicContact CG2-CD2 4.03Å; I1029-F1033 HydrophobicContact CG2-CE2 3.85Å; I1029-F1033 WeakPolarHBondContact O-CD2 3.38Å |
| 1030 | K | 64.2 | Low | 70.5 | Confident | 122 Ų | 122 | 55.7 Ų | 55.7 | 53% | 0.53 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.4 | -39.2 | 178.1 | -72.8 | -167.9 | 174.8 | -171.5 | 0 | 112.2 | N918 N1028 L1032 F1033 S1034 | N918-K1030 PolarHBondContact OD1-NZ 3.12Å; N1028-K1030 PolarHBondContact O-N 3.35Å; N1028-K1030 VanDerWaalsContact O-N 3.08Å; N1028-K1030 PolarHBondContact OD1-N 3.11Å; K1030-L1032 PolarHBondContact O-N 3.13Å; K1030-F1033 PolarHBondContact O-N 3.14Å; K1030-F1033 VanDerWaalsContact O-N 3.08Å; K1030-S1034 PolarHBondContact O-N 2.79Å; K1030-S1034 VanDerWaalsContact O-N 3.08Å; K1030-S1034 PolarHBondContact O-OG 3.44Å |
| 1031 | Q | 64.6 | Low | 71.4 | Confident | 100 Ų | 100 | 51.8 Ų | 51.8 | 47% | 0.467 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.6 | -13.9 | -177.3 | -155.9 | 174.8 | 18.6 | 0 | 0 | 113.6 | N941 N944 N1028 I1029 | N941-Q1031 PolarHBondContact ND2-O 3.31Å; N944-Q1031 PolarHBondContact ND2-O 2.91Å; N1028-Q1031 HydrophobicContact CB-CB 4.45Å; N1028-Q1031 VanDerWaalsContact O-CB 3.31Å; N1028-Q1031 WeakPolarHBondContact O-CB 3.3Å; N1028-Q1031 PolarHBondContact O-N 3.42Å; I1029-Q1031 PolarHBondContact O-N 3.02Å |
| 1032 | L | 66.5 | Low | 72.3 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -82.4 | -26.1 | 172.4 | -166.3 | 69.5 | 0 | 0 | 0 | 112.5 | N946 L948 F963 I1029 K1030 | N946-L1032 HydrophobicContact CB-CD1 3.59Å; L948-L1032 HydrophobicContact CB-CD2 4.19Å; F963-L1032 HydrophobicContact CD2-CD1 4.23Å; I1029-L1032 WeakPolarHBondContact O-CB 3.34Å; I1029-L1032 PolarHBondContact O-N 3.49Å; K1030-L1032 PolarHBondContact O-N 3.13Å |
| 1033 | F | 68.2 | Low | 73.2 | Confident | 16 Ų | 16 | 46.8 Ų | 46.8 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -109.8 | -23.1 | -171.4 | -67.5 | -84.6 | 0 | 0 | 0 | 115 | N913 L921 I939 L948 I1029 K1030 N1035 S1036 F1070 | N913-F1033 PolarHBondContact ND2-O 2.96Å; L921-F1033 HydrophobicContact CD1-CD1 4.09Å; L921-F1033 HydrophobicContact CD1-CD2 4.36Å; L921-F1033 HydrophobicContact CD1-CE1 3.54Å; L921-F1033 HydrophobicContact CD1-CE2 3.87Å; L921-F1033 HydrophobicContact CD1-CG 4.48Å; L921-F1033 HydrophobicContact CD1-CZ 3.43Å; L921-F1033 VanDerWaalsContact CD1-CZ 3.43Å; L921-F1033 HydrophobicContact CD2-CE2 3.66Å; L921-F1033 HydrophobicContact CD2-CZ 3.58Å; L921-F1033 HydrophobicContact CG-CE2 4.33Å; L921-F1033 HydrophobicContact CG-CZ 4.15Å; I939-F1033 HydrophobicContact CD1-CE1 3.78Å; I939-F1033 HydrophobicContact CG2-CD1 4.04Å; I939-F1033 HydrophobicContact CG2-CE1 3.94Å; L948-F1033 HydrophobicContact CD1-CZ 4.17Å; I1029-F1033 HydrophobicContact CG2-CD2 4.03Å; I1029-F1033 HydrophobicContact CG2-CE2 3.85Å; I1029-F1033 WeakPolarHBondContact O-CD2 3.38Å; K1030-F1033 PolarHBondContact O-N 3.14Å; K1030-F1033 VanDerWaalsContact O-N 3.08Å; F1033-N1035 PolarHBondContact O-N 3.43Å; F1033-S1036 WeakPolarHBondContact O-CB 3.32Å; F1033-S1036 PolarHBondContact O-N 2.65Å; F1033-S1036 PolarHBondContact O-OG 2.94Å; F1033-S1036 VanDerWaalsContact O-OG 3.07Å; F1033-F1070 HydrophobicContact CD1-CZ 4.36Å |
| 1034 | S | 65.8 | Low | 74.2 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 37% | 0.371 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 125.1 | 171.8 | -63.9 | 0 | 0 | 0 | 0 | 111.1 | N941 K1030 S1036 | N941-S1034 PolarHBondContact ND2-O 3.44Å; K1030-S1034 PolarHBondContact O-N 2.79Å; K1030-S1034 VanDerWaalsContact O-N 3.08Å; K1030-S1034 PolarHBondContact O-OG 3.44Å; S1034-S1036 PolarHBondContact O-N 3.14Å |
| 1035 | N | 69.4 | Low | 75 | Confident | 104 Ų | 104 | 47.9 Ų | 47.9 | 56% | 0.556 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 31.1 | -174.7 | -64.5 | -6.7 | 0 | 0 | 0 | 114.6 | L943 F1033 | L943-N1035 HydrophobicContact CD1-CB 4.35Å; F1033-N1035 PolarHBondContact O-N 3.43Å |
| 1036 | S | 78.8 | Confident | 76.2 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 150 | 175.6 | 71.9 | 0 | 0 | 0 | 0 | 112.8 | N913 L940 F1033 S1034 | N913-S1036 WeakPolarHBondContact CB-O 3.26Å; N913-S1036 PolarHBondContact N-O 3.39Å; L940-S1036 WeakPolarHBondContact O-CA 3.27Å; F1033-S1036 WeakPolarHBondContact O-CB 3.32Å; F1033-S1036 PolarHBondContact O-N 2.65Å; F1033-S1036 PolarHBondContact O-OG 2.94Å; F1033-S1036 VanDerWaalsContact O-OG 3.07Å; S1034-S1036 PolarHBondContact O-N 3.14Å |
| 1037 | I | 86.7 | Confident | 77.8 | Confident | 33 Ų | 33 | 38.7 Ų | 38.7 | 17% | 0.169 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.3 | 168.1 | -61.6 | 178 | 0 | 0 | 0 | 107.5 | S910 I939 L940 K942 | S910-I1037 WeakPolarHBondContact OG-CG2 3.33Å; I939-I1037 WeakPolarHBondContact CA-O 3.49Å; L940-I1037 PolarHBondContact N-O 2.7Å; L940-I1037 PolarHBondContact O-N 3.41Å; K942-I1037 HydrophobicContact CD-CD1 3.78Å; K942-I1037 HydrophobicContact CG-CD1 4.29Å |
| 1038 | I | 90 | Very high | 78.8 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 100.9 | 179.1 | -58.7 | 165.9 | 0 | 0 | 0 | 107 | S910 I911 N913 L937 I939 I1040 F1068 F1070 | S910-I1038 WeakPolarHBondContact CA-O 3.26Å; I911-I1038 HydrophobicContact CB-CB 4.31Å; I911-I1038 PolarHBondContact N-O 2.77Å; I911-I1038 PolarHBondContact O-N 3.14Å; N913-I1038 HydrophobicContact CB-CD1 4.31Å; L937-I1038 HydrophobicContact CD1-CG2 3.97Å; I939-I1038 HydrophobicContact CD1-CG1 4.23Å; I939-I1038 HydrophobicContact CD1-CG2 4.32Å; I939-I1038 HydrophobicContact CG1-CB 4.38Å; I939-I1038 HydrophobicContact CG1-CG1 4.16Å; I939-I1038 HydrophobicContact CG1-CG2 4.13Å; I939-I1038 HydrophobicContact CG2-CG1 4.21Å; I1038-I1040 HydrophobicContact CG2-CD1 4.36Å; I1038-I1040 HydrophobicContact CG2-CG1 4.13Å; I1038-F1068 HydrophobicContact CG2-CZ 4.43Å; I1038-F1070 HydrophobicContact CD1-CD1 4.35Å; I1038-F1070 HydrophobicContact CD1-CD2 4.04Å; I1038-F1070 HydrophobicContact CD1-CE1 3.88Å; I1038-F1070 HydrophobicContact CD1-CE2 3.55Å; I1038-F1070 HydrophobicContact CD1-CG 4.43Å; I1038-F1070 HydrophobicContact CD1-CZ 3.47Å; I1038-F1070 VanDerWaalsContact CD1-CZ 3.47Å; I1038-F1070 HydrophobicContact CG1-CE2 4.41Å; I1038-F1070 HydrophobicContact CG1-CZ 4.47Å |
| 1039 | N | 92.6 | Very high | 79.4 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 137.6 | 172.9 | -53.8 | -70.8 | 0 | 0 | 0 | 110.1 | Y908 L909 S910 F938 G1042 | Y908-N1039 HydrophobicContact CD2-CB 4.11Å; Y908-N1039 HydrophobicContact CE2-CB 4.46Å; Y908-N1039 WeakPolarHBondContact CE2-OD1 3.21Å; L909-N1039 CarbonylContact O-C 3.51Å; L909-N1039 VanDerWaalsContact O-CA 3.28Å; L909-N1039 WeakPolarHBondContact O-CA 3.11Å; S910-N1039 WeakPolarHBondContact CB-OD1 3.27Å; S910-N1039 PolarHBondContact OG-OD1 2.7Å; F938-N1039 HydrophobicContact CB-CB 4.45Å; F938-N1039 PolarHBondContact N-O 3.31Å; F938-N1039 WeakPolarHBondContact O-CB 3.38Å; F938-N1039 PolarHBondContact O-N 3.07Å; F938-N1039 PolarHBondContact O-ND2 2.95Å; N1039-G1042 WeakPolarHBondContact CB-O 3.46Å |
| 1040 | I | 94.5 | Very high | 80.5 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 126.8 | -173.8 | -55.5 | 165.1 | 0 | 0 | 0 | 107.7 | F902 L909 I911 L937 I1038 G1042 I1065 F1068 L1078 | F902-I1040 WeakPolarHBondContact CE1-O 3.35Å; F902-I1040 HydrophobicContact CZ-CG2 4.18Å; L909-I1040 HydrophobicContact CB-CB 4.3Å; L909-I1040 PolarHBondContact N-O 2.79Å; L909-I1040 PolarHBondContact O-N 2.9Å; I911-I1040 HydrophobicContact CD1-CD1 4Å; L937-I1040 HydrophobicContact CD1-CG1 3.98Å; I1038-I1040 HydrophobicContact CG2-CD1 4.36Å; I1038-I1040 HydrophobicContact CG2-CG1 4.13Å; I1040-G1042 VanDerWaalsContact C-N 3.29Å; I1040-G1042 PolarHBondContact O-N 3.49Å; I1040-I1065 HydrophobicContact CG2-CD1 3.62Å; I1040-F1068 HydrophobicContact CD1-CD2 4.16Å; I1040-F1068 HydrophobicContact CD1-CE1 4.09Å; I1040-F1068 HydrophobicContact CD1-CE2 3.56Å; I1040-F1068 HydrophobicContact CD1-CZ 3.52Å; I1040-F1068 HydrophobicContact CG1-CE2 4Å; I1040-F1068 HydrophobicContact CG1-CZ 4.15Å; I1040-L1078 HydrophobicContact CD1-CD1 4.15Å; I1040-L1078 HydrophobicContact CD1-CD2 3.5Å; I1040-L1078 VanDerWaalsContact CD1-CD2 3.5Å; I1040-L1078 HydrophobicContact CD1-CG 4.48Å; I1040-L1078 HydrophobicContact CG2-CD1 4.39Å |
| 1041 | G | 91.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 77.8 | 2.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | I935 L936 G1060 F1061 | I935-G1041 CarbonylContact O-C 3.46Å; I935-G1041 VanDerWaalsContact O-CA 3.24Å; I935-G1041 WeakPolarHBondContact O-CA 3.49Å; L936-G1041 PolarHBondContact O-N 2.74Å; G1041-G1060 CarbonylContact O-C 3.46Å; G1041-G1060 VanDerWaalsContact O-CA 3.29Å; G1041-G1060 WeakPolarHBondContact O-CA 3.21Å; G1041-F1061 PolarHBondContact O-N 3.38Å |
| 1042 | G | 91.5 | Very high | 82 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | trans | 168.7 | -164.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I935 N1039 I1040 | I935-G1042 PolarHBondContact O-N 2.99Å; N1039-G1042 WeakPolarHBondContact CB-O 3.46Å; I1040-G1042 VanDerWaalsContact C-N 3.29Å; I1040-G1042 PolarHBondContact O-N 3.49Å | ||
| 1043 | C | 89.6 | Confident | 82.5 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 12% | 0.115 | 25% | 0.252 | C | S | . | . | trans | -151.6 | 171.3 | 174.3 | 64.2 | 0 | 0 | 0 | 0 | 110.2 | Y908 F938 | Y908-C1043 WeakPolarHBondContact CE1-O 3.17Å; F938-C1043 HydrophobicContact CB-CB 4.49Å; F938-C1043 HydrophobicContact CD1-CB 3.43Å; F938-C1043 VanDerWaalsContact CD1-CB 3.43Å; F938-C1043 HydrophobicContact CE1-CB 3.89Å; F938-C1043 HydrophobicContact CG-CB 4.18Å | ||
| 1044 | S | 86.9 | Confident | 83.4 | Confident | 15 Ų | 15 | 47 Ų | 47 | 11% | 0.105 | 26% | 0.261 | C | S | . | . | trans | -70.2 | 149.8 | 177.7 | 81.6 | 0 | 0 | 0 | 0 | 111.3 | Y908 S1046 D1047 F1048 | Y908-S1044 WeakPolarHBondContact OH-CA 3.45Å; Y908-S1044 VanDerWaalsContact OH-CB 3.32Å; Y908-S1044 WeakPolarHBondContact OH-CB 3.31Å; S1044-S1046 PolarHBondContact O-N 3.43Å; S1044-S1046 PolarHBondContact OG-OG 3.23Å; S1044-D1047 WeakPolarHBondContact CB-OD2 3.33Å; S1044-D1047 PolarHBondContact O-N 3.44Å; S1044-D1047 PolarHBondContact OG-N 3.05Å; S1044-D1047 VanDerWaalsContact OG-N 3.11Å; S1044-D1047 PolarHBondContact OG-OD2 2.73Å; S1044-F1048 PolarHBondContact O-N 3.28Å | ||
| 1045 | M | 79.1 | Confident | 84.4 | Confident | 128 Ų | 128 | 44.9 Ų | 44.9 | 63% | 0.631 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.5 | -29.8 | 178.1 | -164.4 | 64.5 | -173.4 | 0 | 0 | 112.4 | F1048 I1049 | M1045-F1048 HydrophobicContact CE-CD1 4.15Å; M1045-F1048 PolarHBondContact O-N 2.78Å; M1045-F1048 HydrophobicContact SD-CB 4.42Å; M1045-F1048 HydrophobicContact SD-CD1 4.2Å; M1045-I1049 HydrophobicContact CE-CD1 4.29Å; M1045-I1049 HydrophobicContact CE-CG1 4.3Å; M1045-I1049 HydrophobicContact CG-CD1 4.11Å; M1045-I1049 WeakPolarHBondContact O-CB 3.42Å; M1045-I1049 WeakPolarHBondContact O-CD1 3.22Å; M1045-I1049 VanDerWaalsContact O-CG1 3.26Å; M1045-I1049 WeakPolarHBondContact O-CG1 3.39Å; M1045-I1049 PolarHBondContact O-N 3.1Å |
| 1046 | S | 80.9 | Confident | 85.2 | Confident | 82 Ų | 82 | 45.9 Ų | 45.9 | 57% | 0.573 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.3 | -43.4 | 170.9 | 34.5 | 0 | 0 | 0 | 0 | 113.2 | S1044 K1050 | S1044-S1046 PolarHBondContact O-N 3.43Å; S1044-S1046 PolarHBondContact OG-OG 3.23Å; S1046-K1050 VanDerWaalsContact O-CB 3.25Å; S1046-K1050 WeakPolarHBondContact O-CB 3.34Å; S1046-K1050 PolarHBondContact O-N 3.25Å |
| 1047 | D | 86.4 | Confident | 85.4 | Confident | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70 | -38.4 | 176.6 | -53.6 | -50.1 | 0 | 0 | 0 | 110 | F938 L940 S1044 K1050 F1051 | F938-D1047 HydrophobicContact CE1-CB 4.07Å; L940-D1047 HydrophobicContact CD2-CB 4.44Å; L940-D1047 WeakPolarHBondContact CD2-OD1 3.49Å; S1044-D1047 WeakPolarHBondContact CB-OD2 3.33Å; S1044-D1047 PolarHBondContact O-N 3.44Å; S1044-D1047 PolarHBondContact OG-N 3.05Å; S1044-D1047 VanDerWaalsContact OG-N 3.11Å; S1044-D1047 PolarHBondContact OG-OD2 2.73Å; D1047-K1050 PolarHBondContact O-N 3.44Å; D1047-F1051 HydrophobicContact CB-CD2 4.37Å; D1047-F1051 HydrophobicContact CB-CE2 4.48Å; D1047-F1051 WeakPolarHBondContact O-CD2 3.38Å; D1047-F1051 PolarHBondContact O-N 3.31Å |
| 1048 | F | 80.9 | Confident | 84.8 | Confident | 33 Ų | 33 | 53.3 Ų | 53.3 | 15% | 0.145 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 176.1 | -172.9 | -91.3 | 0 | 0 | 0 | 112.7 | S1044 M1045 Q1052 I1055 S1057 | S1044-F1048 PolarHBondContact O-N 3.28Å; M1045-F1048 HydrophobicContact CE-CD1 4.15Å; M1045-F1048 PolarHBondContact O-N 2.78Å; M1045-F1048 HydrophobicContact SD-CB 4.42Å; M1045-F1048 HydrophobicContact SD-CD1 4.2Å; F1048-Q1052 WeakPolarHBondContact O-CA 3.49Å; F1048-Q1052 PolarHBondContact O-N 2.98Å; F1048-Q1052 VanDerWaalsContact O-N 3.08Å; F1048-I1055 HydrophobicContact CD2-CG2 4.45Å; F1048-I1055 HydrophobicContact CE2-CG2 4.17Å; F1048-S1057 VanDerWaalsContact CE2-O 3.24Å; F1048-S1057 WeakPolarHBondContact CE2-O 3.36Å |
| 1049 | I | 76.4 | Confident | 84.3 | Confident | 98 Ų | 98 | 58.4 Ų | 58.4 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.8 | -41.7 | 175.6 | -67.6 | 165.4 | 0 | 0 | 0 | 110.5 | M1045 F1051 Q1052 | M1045-I1049 HydrophobicContact CE-CD1 4.29Å; M1045-I1049 HydrophobicContact CE-CG1 4.3Å; M1045-I1049 HydrophobicContact CG-CD1 4.11Å; M1045-I1049 WeakPolarHBondContact O-CB 3.42Å; M1045-I1049 WeakPolarHBondContact O-CD1 3.22Å; M1045-I1049 VanDerWaalsContact O-CG1 3.26Å; M1045-I1049 WeakPolarHBondContact O-CG1 3.39Å; M1045-I1049 PolarHBondContact O-N 3.1Å; I1049-F1051 VanDerWaalsContact C-N 3.3Å; I1049-F1051 PolarHBondContact O-N 2.92Å; I1049-Q1052 VanDerWaalsContact O-CB 3.32Å; I1049-Q1052 WeakPolarHBondContact O-CB 3.46Å; I1049-Q1052 PolarHBondContact O-N 2.79Å |
| 1050 | K | 85.3 | Confident | 84 | Confident | 121 Ų | 121 | 58.6 Ų | 58.6 | 53% | 0.526 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.9 | -35.2 | 179.6 | -173.1 | 175.8 | -173.8 | -178.3 | 0 | 113.3 | D945 S1046 D1047 | D945-K1050 WeakPolarHBondContact OD1-CE 3.24Å; D945-K1050 IonicContact OD1-NZ 3.83Å; D945-K1050 PolarHBondContact OD1-NZ 2.95Å; D945-K1050 WeakPolarHBondContact OD2-CE 3.34Å; D945-K1050 IonicContact OD2-NZ 3.63Å; D945-K1050 PolarHBondContact OD2-NZ 3.02Å; S1046-K1050 VanDerWaalsContact O-CB 3.25Å; S1046-K1050 WeakPolarHBondContact O-CB 3.34Å; S1046-K1050 PolarHBondContact O-N 3.25Å; D1047-K1050 PolarHBondContact O-N 3.44Å |
| 1051 | F | 87.3 | Confident | 83.9 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.035 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 21.2 | -179.8 | -56.7 | -61.5 | 0 | 0 | 0 | 113.2 | F938 L940 D945 F947 D1047 I1049 G1053 K1054 I1055 | F938-F1051 AromaticContact CZ-CD2 3.87Å; F938-F1051 HydrophobicContact CZ-CD2 3.87Å; F938-F1051 HydrophobicContact CZ-CE2 4.05Å; L940-F1051 HydrophobicContact CD1-CE2 3.76Å; L940-F1051 HydrophobicContact CD1-CZ 3.8Å; L940-F1051 HydrophobicContact CD2-CE2 4.09Å; D945-F1051 HydrophobicContact CB-CE1 4.08Å; D945-F1051 HydrophobicContact CB-CZ 3.97Å; F947-F1051 HydrophobicContact CD1-CD1 4.1Å; F947-F1051 HydrophobicContact CD1-CD2 4.43Å; F947-F1051 HydrophobicContact CD1-CE1 4.07Å; F947-F1051 HydrophobicContact CD1-CE2 4.42Å; F947-F1051 HydrophobicContact CD1-CG 4.28Å; F947-F1051 HydrophobicContact CD1-CZ 4.23Å; F947-F1051 HydrophobicContact CE1-CB 4.27Å; F947-F1051 AromaticContact CE1-CD1 3.65Å; F947-F1051 HydrophobicContact CE1-CD1 3.65Å; F947-F1051 HydrophobicContact CE1-CD2 4.41Å; F947-F1051 HydrophobicContact CE1-CE1 4.04Å; F947-F1051 AromaticContact CE1-CG 3.85Å; F947-F1051 HydrophobicContact CE1-CG 3.85Å; D1047-F1051 HydrophobicContact CB-CD2 4.37Å; D1047-F1051 HydrophobicContact CB-CE2 4.48Å; D1047-F1051 WeakPolarHBondContact O-CD2 3.38Å; D1047-F1051 PolarHBondContact O-N 3.31Å; I1049-F1051 VanDerWaalsContact C-N 3.3Å; I1049-F1051 PolarHBondContact O-N 2.92Å; F1051-G1053 PolarHBondContact O-N 2.75Å; F1051-K1054 WeakPolarHBondContact O-CA 3.28Å; F1051-K1054 WeakPolarHBondContact O-CB 3.44Å; F1051-K1054 PolarHBondContact O-N 3.09Å; F1051-I1055 HydrophobicContact CB-CD1 3.93Å; F1051-I1055 HydrophobicContact CB-CG1 4.03Å; F1051-I1055 PolarHBondContact O-N 3.31Å |
| 1052 | Q | 74.2 | Confident | 83.9 | Confident | 140 Ų | 140 | 62 Ų | 62 | 65% | 0.654 | 31% | 0.313 | S | S | * | . | B | Isolated β-bridge | trans | -59.2 | 125.8 | 179.8 | -164.7 | 171.5 | 21.4 | 0 | 0 | 110.6 | F1048 I1049 K1054 | F1048-Q1052 WeakPolarHBondContact O-CA 3.49Å; F1048-Q1052 PolarHBondContact O-N 2.98Å; F1048-Q1052 VanDerWaalsContact O-N 3.08Å; I1049-Q1052 VanDerWaalsContact O-CB 3.32Å; I1049-Q1052 WeakPolarHBondContact O-CB 3.46Å; I1049-Q1052 PolarHBondContact O-N 2.79Å; Q1052-K1054 VanDerWaalsContact C-N 3.34Å |
| 1053 | G | 76.5 | Confident | 83.9 | Confident | 66 Ų | 66 | 62.5 Ų | 62.5 | 68% | 0.68 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | -19.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | F1051 | F1051-G1053 PolarHBondContact O-N 2.75Š|
| 1054 | K | 87.4 | Confident | 84 | Confident | 63 Ų | 63 | 61.9 Ų | 61.9 | 27% | 0.274 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -42.5 | 164.1 | -62.4 | -178.8 | 177.4 | 178.2 | 0 | 110.8 | F947 H962 L967 F1051 Q1052 | F947-K1054 HydrophobicContact CE1-CD 4.38Å; F947-K1054 HydrophobicContact CZ-CB 4.06Å; H962-K1054 PolarHBondContact CD2-NZ 2.92Å; H962-K1054 PolarHBondContact CE1-NZ 2.85Å; H962-K1054 PolarHBondContact NE2-NZ 2.88Å; L967-K1054 HydrophobicContact CD1-CB 4.21Å; L967-K1054 HydrophobicContact CD1-CD 4.28Å; L967-K1054 HydrophobicContact CD1-CG 4.29Å; L967-K1054 HydrophobicContact CD2-CB 4.45Å; L967-K1054 HydrophobicContact CD2-CG 4.34Å; F1051-K1054 WeakPolarHBondContact O-CA 3.28Å; F1051-K1054 WeakPolarHBondContact O-CB 3.44Å; F1051-K1054 PolarHBondContact O-N 3.09Å; Q1052-K1054 VanDerWaalsContact C-N 3.34Å |
| 1055 | I | 86.9 | Confident | 84.3 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -79.2 | 136.1 | 164.2 | -56.4 | 175.1 | 0 | 0 | 0 | 108.2 | I935 F938 L949 F1048 F1051 | I935-I1055 HydrophobicContact CD1-CG2 3.9Å; I935-I1055 HydrophobicContact CG1-CG2 4.32Å; F938-I1055 HydrophobicContact CE2-CD1 4.35Å; L949-I1055 HydrophobicContact CD2-CB 4.46Å; L949-I1055 HydrophobicContact CD2-CG1 4.13Å; L949-I1055 HydrophobicContact CD2-CG2 4.38Å; F1048-I1055 HydrophobicContact CD2-CG2 4.45Å; F1048-I1055 HydrophobicContact CE2-CG2 4.17Å; F1051-I1055 HydrophobicContact CB-CD1 3.93Å; F1051-I1055 HydrophobicContact CB-CG1 4.03Å; F1051-I1055 PolarHBondContact O-N 3.31Å |
| 1056 | K | 85.3 | Confident | 84.8 | Confident | 125 Ų | 125 | 55.1 Ų | 55.1 | 54% | 0.543 | 28% | 0.279 | S | S | . | . | trans | -110.6 | -29 | -177.8 | -68.4 | -177.2 | 179.8 | -179.6 | 0 | 114.5 | E951 I953 L958 | E951-K1056 PolarHBondContact OE1-N 2.87Å; E951-K1056 PolarHBondContact OE2-N 2.75Å; I953-K1056 HydrophobicContact CD1-CB 3.5Å; I953-K1056 VanDerWaalsContact CD1-CB 3.5Å; I953-K1056 HydrophobicContact CD1-CD 3.98Å; I953-K1056 HydrophobicContact CD1-CG 4.36Å; L958-K1056 HydrophobicContact CD2-CD 4.09Å | ||
| 1057 | S | 83.1 | Confident | 85.1 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | trans | -56.8 | 144 | 167.9 | -60.9 | 0 | 0 | 0 | 0 | 110 | E951 L952 F1048 | E951-S1057 WeakPolarHBondContact CB-OG 3.48Å; E951-S1057 VanDerWaalsContact OE2-CB 3.23Å; E951-S1057 WeakPolarHBondContact OE2-CB 3.38Å; E951-S1057 PolarHBondContact OE2-N 3.28Å; E951-S1057 PolarHBondContact OE2-OG 2.88Å; L952-S1057 PolarHBondContact O-OG 2.8Å; F1048-S1057 VanDerWaalsContact CE2-O 3.24Å; F1048-S1057 WeakPolarHBondContact CE2-O 3.36Å | ||
| 1058 | R | 74.1 | Confident | 85.3 | Confident | 186 Ų | 186 | 51.9 Ų | 51.9 | 70% | 0.702 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -93.5 | -11.2 | 177.3 | -68.2 | -178.7 | 179 | -177.1 | -0.4 | 114 | ||
| 1059 | F | 81.2 | Confident | 85.4 | Confident | 111 Ų | 111 | 51.3 Ų | 51.3 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -146.7 | 165.9 | -171 | -40.2 | -73.7 | 0 | 0 | 0 | 110 | I935 | I935-F1059 PolarHBondContact N-O 2.75Š|
| 1060 | G | 85.8 | Confident | 85.6 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -67.5 | 176.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S905 G1041 | S905-G1060 WeakPolarHBondContact CB-O 3.18Å; S905-G1060 WeakPolarHBondContact O-CA 3.43Å; S905-G1060 PolarHBondContact O-N 2.92Å; G1041-G1060 CarbonylContact O-C 3.46Å; G1041-G1060 VanDerWaalsContact O-CA 3.29Å; G1041-G1060 WeakPolarHBondContact O-CA 3.21Å |
| 1061 | F | 92.3 | Very high | 85 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | trans | -74.1 | 149.1 | 175 | 175 | -104.5 | 0 | 0 | 0 | 111.8 | F902 F927 T929 I935 L936 G1041 G1063 C1064 I1065 | F902-F1061 HydrophobicContact CB-CD1 4.32Å; F902-F1061 AromaticContact CD2-CD1 3.88Å; F902-F1061 HydrophobicContact CD2-CD1 3.88Å; F902-F1061 HydrophobicContact CD2-CE1 4.16Å; F902-F1061 HydrophobicContact CG-CD1 4.22Å; F927-F1061 HydrophobicContact CB-CZ 4.45Å; F927-F1061 HydrophobicContact CD2-CE2 4.21Å; F927-F1061 HydrophobicContact CD2-CZ 4.4Å; T929-F1061 HydrophobicContact CG2-CE2 3.84Å; I935-F1061 VanDerWaalsContact O-CB 3.22Å; I935-F1061 WeakPolarHBondContact O-CB 3.39Å; I935-F1061 PolarHBondContact O-N 3.33Å; L936-F1061 HydrophobicContact CD2-CD1 4.25Å; L936-F1061 HydrophobicContact CD2-CD2 3.46Å; L936-F1061 VanDerWaalsContact CD2-CD2 3.46Å; L936-F1061 HydrophobicContact CD2-CE1 4.25Å; L936-F1061 HydrophobicContact CD2-CE2 3.47Å; L936-F1061 VanDerWaalsContact CD2-CE2 3.47Å; L936-F1061 HydrophobicContact CD2-CG 3.86Å; L936-F1061 HydrophobicContact CD2-CZ 3.87Å; L936-F1061 HydrophobicContact CG-CD2 4.08Å; L936-F1061 HydrophobicContact CG-CE2 4.39Å; G1041-F1061 PolarHBondContact O-N 3.38Å; F1061-G1063 VanDerWaalsContact CE1-C 3.41Å; F1061-C1064 WeakPolarHBondContact CE1-O 3.46Å; F1061-C1064 WeakPolarHBondContact CZ-O 3.38Å; F1061-I1065 HydrophobicContact CD1-CD1 4.28Å; F1061-I1065 HydrophobicContact CD1-CG1 4.34Å; F1061-I1065 HydrophobicContact CE1-CD1 4.27Å; F1061-I1065 HydrophobicContact CE1-CG1 3.84Å; F1061-I1065 HydrophobicContact CZ-CG1 4.49Å | ||
| 1062 | Q | 90.2 | Very high | 83.9 | Confident | 71 Ų | 71 | 43.4 Ų | 43.4 | 33% | 0.332 | 23% | 0.229 | S | C | . | . | trans | -138.3 | 134.1 | 169.6 | 173.9 | 177.8 | -9 | 0 | 0 | 107 | F902 K903 T929 I931 | F902-Q1062 WeakPolarHBondContact O-CA 3.25Å; F902-Q1062 WeakPolarHBondContact O-CG 3.24Å; K903-Q1062 PolarHBondContact O-NE2 3.49Å; T929-Q1062 WeakPolarHBondContact CB-O 3.46Å; T929-Q1062 PolarHBondContact OG1-O 3.38Å; I931-Q1062 HydrophobicContact CD1-CB 3.95Å; I931-Q1062 HydrophobicContact CD1-CG 3.91Å | ||
| 1063 | G | 91.2 | Very high | 83.6 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 13% | 0.134 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.9 | -157.2 | -161.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q901 F902 K928 F1061 | Q901-G1063 CarbonylContact C-O 3.5Å; Q901-G1063 VanDerWaalsContact CA-O 3.26Å; Q901-G1063 WeakPolarHBondContact CA-O 3.38Å; Q901-G1063 WeakPolarHBondContact CG-O 3.21Å; F902-G1063 PolarHBondContact N-O 2.98Å; F902-G1063 PolarHBondContact O-N 2.78Å; F902-G1063 VanDerWaalsContact O-N 3.08Å; K928-G1063 CarbonylContact O-C 3.56Å; K928-G1063 WeakPolarHBondContact O-CA 3.42Å; F1061-G1063 VanDerWaalsContact CE1-C 3.41Å |
| 1064 | C | 93.3 | Very high | 83.1 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.034 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 152.8 | -179 | -45.8 | 0 | 0 | 0 | 0 | 113.8 | I900 F927 K928 W988 F1061 C1098 | I900-C1064 CarbonylContact O-C 3.34Å; I900-C1064 WeakPolarHBondContact O-CA 3.3Å; I900-C1064 VanDerWaalsContact O-CB 3.28Å; I900-C1064 WeakPolarHBondContact O-CB 2.78Å; F927-C1064 CarbonylContact C-O 3.57Å; F927-C1064 VanDerWaalsContact CA-O 3.22Å; F927-C1064 WeakPolarHBondContact CA-O 3.22Å; K928-C1064 HydrophobicContact CB-CB 4.39Å; K928-C1064 PolarHBondContact N-O 2.71Å; K928-C1064 PolarHBondContact O-N 3.33Å; W988-C1064 HydrophobicContact CH2-CB 3.61Å; W988-C1064 HydrophobicContact CZ2-CB 4.26Å; W988-C1064 HydrophobicContact CZ3-CB 4.11Å; F1061-C1064 WeakPolarHBondContact CE1-O 3.46Å; F1061-C1064 WeakPolarHBondContact CZ-O 3.38Å; C1064-C1098 HydrophobicContact CB-CB 3.7Å; C1064-C1098 WeakPolarHBondContact CB-SG 3.22Å; C1064-C1098 VanDerWaalsContact SG-CA 3.53Å; C1064-C1098 WeakPolarHBondContact SG-CB 3.24Å; C1064-C1098 CovalentContact SG-SG 2.02Å; C1064-C1098 PolarHBondContact SG-SG 2.86Å |
| 1065 | I | 93.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 144.5 | 168 | -63.7 | -179.2 | 0 | 0 | 0 | 108.2 | P899 I900 F902 F925 S926 F927 L936 I1040 F1061 L1078 | P899-I1065 CarbonylContact C-O 3.58Å; P899-I1065 WeakPolarHBondContact CA-O 3.4Å; I900-I1065 HydrophobicContact CG1-CB 4.16Å; I900-I1065 WeakPolarHBondContact CG1-O 3.34Å; I900-I1065 PolarHBondContact N-O 2.82Å; I900-I1065 PolarHBondContact O-N 2.86Å; F902-I1065 HydrophobicContact CD2-CD1 4.5Å; F902-I1065 HydrophobicContact CE2-CB 4.24Å; F902-I1065 HydrophobicContact CE2-CD1 3.77Å; F902-I1065 HydrophobicContact CE2-CG1 4.03Å; F902-I1065 HydrophobicContact CZ-CD1 4.33Å; F925-I1065 HydrophobicContact CB-CG2 4.16Å; F925-I1065 HydrophobicContact CD2-CG2 4.2Å; S926-I1065 CarbonylContact O-C 3.6Å; S926-I1065 VanDerWaalsContact O-CA 3.24Å; S926-I1065 WeakPolarHBondContact O-CA 3.3Å; F927-I1065 HydrophobicContact CB-CG1 4.29Å; L936-I1065 HydrophobicContact CD2-CD1 4.32Å; I1040-I1065 HydrophobicContact CG2-CD1 3.62Å; F1061-I1065 HydrophobicContact CD1-CD1 4.28Å; F1061-I1065 HydrophobicContact CD1-CG1 4.34Å; F1061-I1065 HydrophobicContact CE1-CD1 4.27Å; F1061-I1065 HydrophobicContact CE1-CG1 3.84Å; F1061-I1065 HydrophobicContact CZ-CG1 4.49Å; I1065-L1078 HydrophobicContact CG2-CD1 4.26Å |
| 1066 | A | 89.5 | Confident | 81.8 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 178.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y896 P899 S926 W988 F1068 | Y896-A1066 HydrophobicContact CD1-CB 4.13Å; Y896-A1066 HydrophobicContact CG-CB 4.48Å; P899-A1066 HydrophobicContact CB-CB 3.93Å; S926-A1066 PolarHBondContact N-O 2.72Å; S926-A1066 PolarHBondContact O-N 3.09Å; W988-A1066 HydrophobicContact CH2-CB 3.54Å; W988-A1066 HydrophobicContact CZ2-CB 4.33Å; W988-A1066 HydrophobicContact CZ3-CB 3.77Å; A1066-F1068 PolarHBondContact O-N 2.89Å; A1066-F1068 VanDerWaalsContact O-N 3.08Å |
| 1067 | N | 87.2 | Confident | 81.4 | Confident | 21 Ų | 21 | 31.3 Ų | 31.3 | 11% | 0.112 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.7 | 31.5 | 172.7 | -61.5 | -24.7 | 0 | 0 | 0 | 113.9 | Y896 D897 S926 Q1069 T1075 | Y896-N1067 WeakPolarHBondContact CA-OD1 3.48Å; Y896-N1067 VanDerWaalsContact CD1-ND2 3.33Å; Y896-N1067 WeakPolarHBondContact CD1-ND2 3.18Å; D897-N1067 PolarHBondContact N-OD1 2.81Å; D897-N1067 PolarHBondContact O-N 2.95Å; S926-N1067 PolarHBondContact OG-ND2 2.85Å; N1067-Q1069 PolarHBondContact O-N 3.15Å; N1067-T1075 HydrophobicContact CB-CG2 4.44Å |
| 1068 | F | 88.9 | Confident | 81.4 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 114.6 | -173.4 | -166.7 | -82.4 | 0 | 0 | 0 | 110.8 | V923 K924 F925 L937 I1038 I1040 A1066 F1070 I1076 L1078 | V923-F1068 HydrophobicContact CG1-CZ 4.35Å; K924-F1068 CarbonylContact O-C 3.59Å; K924-F1068 VanDerWaalsContact O-CA 3.3Å; K924-F1068 WeakPolarHBondContact O-CA 3.04Å; F925-F1068 HydrophobicContact CB-CB 4.42Å; F925-F1068 HydrophobicContact CB-CD2 3.75Å; F925-F1068 HydrophobicContact CB-CE2 4.5Å; F925-F1068 HydrophobicContact CB-CG 4.44Å; F925-F1068 HydrophobicContact CD1-CD2 4.4Å; F925-F1068 HydrophobicContact CD1-CE2 4.34Å; F925-F1068 HydrophobicContact CG-CD2 4.27Å; L937-F1068 HydrophobicContact CD1-CE2 4.37Å; L937-F1068 HydrophobicContact CD1-CZ 4.5Å; I1038-F1068 HydrophobicContact CG2-CZ 4.43Å; I1040-F1068 HydrophobicContact CD1-CD2 4.16Å; I1040-F1068 HydrophobicContact CD1-CE1 4.09Å; I1040-F1068 HydrophobicContact CD1-CE2 3.56Å; I1040-F1068 HydrophobicContact CD1-CZ 3.52Å; I1040-F1068 HydrophobicContact CG1-CE2 4Å; I1040-F1068 HydrophobicContact CG1-CZ 4.15Å; A1066-F1068 PolarHBondContact O-N 2.89Å; A1066-F1068 VanDerWaalsContact O-N 3.08Å; F1068-F1070 HydrophobicContact CE1-CB 4.19Å; F1068-I1076 HydrophobicContact CD1-CB 4.42Å; F1068-I1076 HydrophobicContact CD1-CD1 4.44Å; F1068-I1076 PolarHBondContact O-N 3.42Å; F1068-L1078 HydrophobicContact CB-CD1 3.76Å; F1068-L1078 HydrophobicContact CB-CD2 4.13Å; F1068-L1078 HydrophobicContact CB-CG 3.88Å; F1068-L1078 HydrophobicContact CD1-CD2 3.65Å; F1068-L1078 HydrophobicContact CD1-CG 4.36Å; F1068-L1078 HydrophobicContact CD2-CD1 3.96Å; F1068-L1078 HydrophobicContact CD2-CD2 4.3Å; F1068-L1078 HydrophobicContact CE1-CD2 4.1Å; F1068-L1078 HydrophobicContact CG-CD1 3.87Å; F1068-L1078 HydrophobicContact CG-CD2 3.76Å; F1068-L1078 HydrophobicContact CG-CG 4.04Å |
| 1069 | Q | 84.7 | Confident | 81.6 | Confident | 21 Ų | 21 | 23.9 Ų | 23.9 | 10% | 0.098 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 140.8 | 174.8 | -61 | 179.6 | -28.6 | 0 | 0 | 109.4 | H666 K924 N1067 T1075 | H666-Q1069 PolarHBondContact CE1-NE2 2.81Å; H666-Q1069 VanDerWaalsContact CE1-NE2 3.28Å; H666-Q1069 PolarHBondContact NE2-NE2 3.09Å; K924-Q1069 HydrophobicContact CB-CB 4.25Å; K924-Q1069 PolarHBondContact N-O 2.96Å; K924-Q1069 PolarHBondContact O-N 2.92Å; N1067-Q1069 PolarHBondContact O-N 3.15Å; Q1069-T1075 HydrophobicContact CG-CG2 3.77Å |
| 1070 | F | 79.9 | Confident | 81.2 | Confident | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 129.7 | 177.8 | -166 | -95.1 | 0 | 0 | 0 | 109.8 | F916 L922 V923 I939 F1033 I1038 F1068 G1072 H1073 I1076 | F916-F1070 AromaticContact CD2-CD1 3.71Å; F916-F1070 HydrophobicContact CD2-CD1 3.71Å; F916-F1070 AromaticContact CD2-CE1 3.53Å; F916-F1070 HydrophobicContact CD2-CE1 3.53Å; F916-F1070 AromaticContact CE2-CD1 3.55Å; F916-F1070 HydrophobicContact CE2-CD1 3.55Å; F916-F1070 AromaticContact CE2-CE1 3.89Å; F916-F1070 HydrophobicContact CE2-CE1 3.89Å; F916-F1070 HydrophobicContact CG-CD1 4.4Å; F916-F1070 HydrophobicContact CG-CE1 4.14Å; F916-F1070 HydrophobicContact CZ-CD1 4.12Å; L922-F1070 CarbonylContact O-C 3.56Å; L922-F1070 WeakPolarHBondContact O-CA 3.37Å; V923-F1070 HydrophobicContact CB-CD2 4.44Å; V923-F1070 HydrophobicContact CG1-CD2 4.21Å; V923-F1070 HydrophobicContact CG2-CD2 3.66Å; V923-F1070 HydrophobicContact CG2-CE2 3.57Å; I939-F1070 HydrophobicContact CD1-CE2 4.25Å; F1033-F1070 HydrophobicContact CD1-CZ 4.36Å; I1038-F1070 HydrophobicContact CD1-CD1 4.35Å; I1038-F1070 HydrophobicContact CD1-CD2 4.04Å; I1038-F1070 HydrophobicContact CD1-CE1 3.88Å; I1038-F1070 HydrophobicContact CD1-CE2 3.55Å; I1038-F1070 HydrophobicContact CD1-CG 4.43Å; I1038-F1070 HydrophobicContact CD1-CZ 3.47Å; I1038-F1070 VanDerWaalsContact CD1-CZ 3.47Å; I1038-F1070 HydrophobicContact CG1-CE2 4.41Å; I1038-F1070 HydrophobicContact CG1-CZ 4.47Å; F1068-F1070 HydrophobicContact CE1-CB 4.19Å; F1070-G1072 VanDerWaalsContact C-N 3.29Å; F1070-G1072 PolarHBondContact O-N 2.98Å; F1070-H1073 WeakPolarHBondContact O-CB 3.43Å; F1070-H1073 PolarHBondContact O-N 2.95Å; F1070-H1073 VanDerWaalsContact O-N 3.13Å; F1070-I1076 HydrophobicContact CB-CD1 3.9Å |
| 1071 | N | 73.6 | Confident | 80.6 | Confident | 12 Ų | 12 | 30.3 Ų | 30.3 | 6% | 0.064 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 48.1 | 177.3 | -70.1 | -5.2 | 0 | 0 | 0 | 113.8 | F916 V919 P920 L922 H1073 | F916-N1071 WeakPolarHBondContact CB-ND2 3.22Å; F916-N1071 HydrophobicContact CD1-CB 3.83Å; F916-N1071 HydrophobicContact CE1-CB 3.97Å; F916-N1071 HydrophobicContact CG-CB 4.31Å; F916-N1071 WeakPolarHBondContact CG-ND2 3.47Å; V919-N1071 HydrophobicContact CB-CB 4.08Å; V919-N1071 HydrophobicContact CG1-CB 3.82Å; V919-N1071 WeakPolarHBondContact CG1-O 3.48Å; P920-N1071 PolarHBondContact O-OD1 2.89Å; L922-N1071 PolarHBondContact N-OD1 2.81Å; L922-N1071 PolarHBondContact O-N 2.87Å; N1071-H1073 VanDerWaalsContact C-N 3.28Å; N1071-H1073 PolarHBondContact O-N 3.01Å |
| 1072 | G | 63.1 | Low | 80.1 | Confident | 45 Ų | 45 | 30.8 Ų | 30.8 | 46% | 0.464 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | -0.1 | 174 | 0 | 0 | 0 | 0 | 0 | 116.2 | F1070 | F1070-G1072 VanDerWaalsContact C-N 3.29Å; F1070-G1072 PolarHBondContact O-N 2.98Å |
| 1073 | H | 67.4 | Low | 79.9 | Confident | 78 Ų | 78 | 33.7 Ų | 33.7 | 36% | 0.361 | 18% | 0.18 | S | C | . | . | trans | -62.9 | 154.8 | 170.3 | -81.9 | -97.5 | 0 | 0 | 0 | 112 | F916 F1070 N1071 I1076 | F916-H1073 AromaticContact CE1-CD2 3.48Å; F916-H1073 VanDerWaalsContact CE1-CD2 3.48Å; F916-H1073 WeakPolarHBondContact CE1-CD2 3.4Å; F916-H1073 AromaticContact CE1-NE2 3.36Å; F916-H1073 WeakPolarHBondContact CE1-NE2 3.34Å; F916-H1073 AromaticContact CZ-CD2 3.58Å; F916-H1073 AromaticContact CZ-NE2 3.61Å; F1070-H1073 WeakPolarHBondContact O-CB 3.43Å; F1070-H1073 PolarHBondContact O-N 2.95Å; F1070-H1073 VanDerWaalsContact O-N 3.13Å; N1071-H1073 VanDerWaalsContact C-N 3.28Å; N1071-H1073 PolarHBondContact O-N 3.01Å; H1073-I1076 HydrophobicContact CB-CG1 4.49Å | ||
| 1074 | P | 65.9 | Low | 79.6 | Confident | 20 Ų | 20 | 33.5 Ų | 33.5 | 13% | 0.13 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -58.6 | 172.1 | 164.9 | 29.3 | -36.8 | 0 | 0 | 0 | 111.1 | N830 I1076 | N830-P1074 HydrophobicContact CB-CG 4.21Å; P1074-I1076 PolarHBondContact O-N 3.33Å |
| 1075 | T | 71.9 | Confident | 79.1 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 6% | 0.061 | 19% | 0.192 | C | C | . | . | trans | -56.9 | 111.6 | -177.3 | 26 | 0 | 0 | 0 | 0 | 111.5 | D897 F898 N1067 Q1069 | D897-T1075 HydrophobicContact CB-CG2 3.75Å; D897-T1075 WeakPolarHBondContact OD2-CB 3.49Å; D897-T1075 WeakPolarHBondContact OD2-CG2 3.43Å; D897-T1075 PolarHBondContact OD2-OG1 2.98Å; F898-T1075 WeakPolarHBondContact CD2-O 3.23Å; F898-T1075 VanDerWaalsContact CE2-O 3.23Å; F898-T1075 WeakPolarHBondContact CE2-O 3.32Å; N1067-T1075 HydrophobicContact CB-CG2 4.44Å; Q1069-T1075 HydrophobicContact CG-CG2 3.77Å | ||
| 1076 | I | 76.5 | Confident | 78.4 | Confident | 20 Ų | 20 | 40.2 Ų | 40.2 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | trans | -76.8 | 127 | -173.5 | -63.3 | 177.1 | 0 | 0 | 0 | 109.1 | F1068 F1070 H1073 P1074 L1078 M1081 | F1068-I1076 HydrophobicContact CD1-CB 4.42Å; F1068-I1076 HydrophobicContact CD1-CD1 4.44Å; F1068-I1076 PolarHBondContact O-N 3.42Å; F1070-I1076 HydrophobicContact CB-CD1 3.9Å; H1073-I1076 HydrophobicContact CB-CG1 4.49Å; P1074-I1076 PolarHBondContact O-N 3.33Å; I1076-L1078 VanDerWaalsContact C-N 3.34Å; I1076-L1078 HydrophobicContact CG2-CD2 4.34Å; I1076-L1078 PolarHBondContact O-N 3.4Å; I1076-M1081 HydrophobicContact CG2-CB 4.1Å; I1076-M1081 HydrophobicContact CG2-CG 4.32Å; I1076-M1081 HydrophobicContact CG2-SD 3.62Å | ||
| 1077 | N | 75.8 | Confident | 77.4 | Confident | 19 Ų | 19 | 44.6 Ų | 44.6 | 10% | 0.102 | 23% | 0.232 | C | C | . | . | trans | -73.1 | 89 | 170.3 | -171.9 | -0.3 | 0 | 0 | 0 | 111.1 | F898 L1079 Q1080 M1081 Y1096 | F898-N1077 HydrophobicContact CD1-CB 3.92Å; F898-N1077 HydrophobicContact CD2-CB 4.34Å; F898-N1077 HydrophobicContact CE1-CB 4.28Å; F898-N1077 HydrophobicContact CG-CB 3.97Å; N1077-L1079 VanDerWaalsContact C-N 3.32Å; N1077-L1079 PolarHBondContact O-N 2.75Å; N1077-Q1080 HydrophobicContact CB-CB 4.1Å; N1077-Q1080 WeakPolarHBondContact ND2-CB 3.43Å; N1077-Q1080 PolarHBondContact ND2-OE1 2.81Å; N1077-Q1080 PolarHBondContact O-N 2.84Å; N1077-M1081 WeakPolarHBondContact O-CB 3.33Å; N1077-M1081 PolarHBondContact O-N 3.08Å; N1077-Y1096 PolarHBondContact ND2-OH 3.44Å; N1077-Y1096 WeakPolarHBondContact OD1-CE1 3.35Å; N1077-Y1096 PolarHBondContact OD1-OH 2.96Å | ||
| 1078 | L | 83.3 | Confident | 76.7 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.6 | -40.1 | -174.3 | -73.9 | -176.7 | 0 | 0 | 0 | 114.3 | I900 L909 I911 I1040 I1065 F1068 I1076 Q1080 A1082 | I900-L1078 HydrophobicContact CD1-CB 4.01Å; I900-L1078 HydrophobicContact CD1-CD1 3.67Å; I900-L1078 HydrophobicContact CG1-CD1 4.42Å; L909-L1078 HydrophobicContact CD1-CB 3.81Å; I911-L1078 HydrophobicContact CD1-CD2 3.89Å; I1040-L1078 HydrophobicContact CD1-CD1 4.15Å; I1040-L1078 HydrophobicContact CD1-CD2 3.5Å; I1040-L1078 VanDerWaalsContact CD1-CD2 3.5Å; I1040-L1078 HydrophobicContact CD1-CG 4.48Å; I1040-L1078 HydrophobicContact CG2-CD1 4.39Å; I1065-L1078 HydrophobicContact CG2-CD1 4.26Å; F1068-L1078 HydrophobicContact CB-CD1 3.76Å; F1068-L1078 HydrophobicContact CB-CD2 4.13Å; F1068-L1078 HydrophobicContact CB-CG 3.88Å; F1068-L1078 HydrophobicContact CD1-CD2 3.65Å; F1068-L1078 HydrophobicContact CD1-CG 4.36Å; F1068-L1078 HydrophobicContact CD2-CD1 3.96Å; F1068-L1078 HydrophobicContact CD2-CD2 4.3Å; F1068-L1078 HydrophobicContact CE1-CD2 4.1Å; F1068-L1078 HydrophobicContact CG-CD1 3.87Å; F1068-L1078 HydrophobicContact CG-CD2 3.76Å; F1068-L1078 HydrophobicContact CG-CG 4.04Å; I1076-L1078 VanDerWaalsContact C-N 3.34Å; I1076-L1078 HydrophobicContact CG2-CD2 4.34Å; I1076-L1078 PolarHBondContact O-N 3.4Å; L1078-Q1080 VanDerWaalsContact C-N 3.27Å; L1078-Q1080 PolarHBondContact O-N 3.17Å; L1078-A1082 WeakPolarHBondContact O-CB 3.32Å; L1078-A1082 PolarHBondContact O-N 2.89Å |
| 1079 | L | 78.7 | Confident | 76 | Confident | 31 Ų | 31 | 55.3 Ų | 55.3 | 16% | 0.162 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -74.7 | -16.2 | -179.2 | -100.8 | 169.4 | 0 | 0 | 0 | 113.8 | I900 N1077 V1084 I1094 Y1096 L1147 | I900-L1079 HydrophobicContact CG2-CD1 3.73Å; I900-L1079 HydrophobicContact CG2-CG 4.08Å; N1077-L1079 VanDerWaalsContact C-N 3.32Å; N1077-L1079 PolarHBondContact O-N 2.75Å; L1079-V1084 HydrophobicContact CD2-CG2 4.31Å; L1079-I1094 HydrophobicContact CD2-CG2 4.26Å; L1079-I1094 HydrophobicContact CG-CG2 4.43Å; L1079-Y1096 HydrophobicContact CB-CD1 4.31Å; L1079-Y1096 HydrophobicContact CB-CE1 3.53Å; L1079-Y1096 HydrophobicContact CB-CE2 4.39Å; L1079-Y1096 WeakPolarHBondContact CB-OH 3.36Å; L1079-Y1096 HydrophobicContact CD1-CD1 3.68Å; L1079-Y1096 HydrophobicContact CD1-CD2 4.3Å; L1079-Y1096 HydrophobicContact CD1-CE1 3.76Å; L1079-Y1096 HydrophobicContact CD1-CE2 4.34Å; L1079-Y1096 HydrophobicContact CD1-CG 3.9Å; L1079-Y1096 HydrophobicContact CG-CE1 4.26Å; L1079-L1147 HydrophobicContact CD1-CB 4.37Å; L1079-L1147 HydrophobicContact CD1-CD1 4.39Å; L1079-L1147 HydrophobicContact CD1-CD2 4.11Å; L1079-L1147 HydrophobicContact CD2-CD2 4.45Å |
| 1080 | Q | 72.7 | Confident | 75.6 | Confident | 128 Ų | 128 | 54.3 Ų | 54.3 | 60% | 0.598 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -98.6 | -23.7 | 178 | -169.1 | 175.2 | 3.4 | 0 | 0 | 112.2 | N1077 L1078 | N1077-Q1080 HydrophobicContact CB-CB 4.1Å; N1077-Q1080 WeakPolarHBondContact ND2-CB 3.43Å; N1077-Q1080 PolarHBondContact ND2-OE1 2.81Å; N1077-Q1080 PolarHBondContact O-N 2.84Å; L1078-Q1080 VanDerWaalsContact C-N 3.27Å; L1078-Q1080 PolarHBondContact O-N 3.17Å |
| 1081 | M | 73.6 | Confident | 75.3 | Confident | 128 Ų | 128 | 57.7 Ų | 57.7 | 63% | 0.631 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -113 | -19.1 | -172.7 | -166 | 166 | 175.4 | 0 | 0 | 114.3 | I1076 N1077 | I1076-M1081 HydrophobicContact CG2-CB 4.1Å; I1076-M1081 HydrophobicContact CG2-CG 4.32Å; I1076-M1081 HydrophobicContact CG2-SD 3.62Å; N1077-M1081 WeakPolarHBondContact O-CB 3.33Å; N1077-M1081 PolarHBondContact O-N 3.08Å |
| 1082 | A | 82.4 | Confident | 75.3 | Confident | 12 Ų | 12 | 62.5 Ų | 62.5 | 10% | 0.099 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -102.3 | 155.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L909 I911 L1078 | L909-A1082 HydrophobicContact CB-CB 3.88Å; L909-A1082 HydrophobicContact CD1-CB 4.3Å; L909-A1082 HydrophobicContact CD2-CB 4.32Å; L909-A1082 HydrophobicContact CG-CB 4.4Å; I911-A1082 HydrophobicContact CD1-CB 4.08Å; I911-A1082 HydrophobicContact CG1-CB 3.43Å; I911-A1082 VanDerWaalsContact CG1-CB 3.43Å; L1078-A1082 WeakPolarHBondContact O-CB 3.32Å; L1078-A1082 PolarHBondContact O-N 2.89Å |
| 1083 | K | 85 | Confident | 76.1 | Confident | 131 Ų | 131 | 64.4 Ų | 64.4 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 135.3 | 171.2 | -71.2 | 176.1 | -178.4 | 171.7 | 0 | 110.5 | L909 S910 Y1085 | L909-K1083 CarbonylContact C-O 3.59Å; L909-K1083 WeakPolarHBondContact CA-O 3.28Å; S910-K1083 PolarHBondContact N-O 2.79Å; S910-K1083 PolarHBondContact O-N 3.2Å; K1083-Y1085 HydrophobicContact CB-CD2 4.24Å; K1083-Y1085 HydrophobicContact CB-CE2 3.6Å |
| 1084 | V | 84.9 | Confident | 76.8 | Confident | 10 Ų | 10 | 60.7 Ų | 60.7 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 136.7 | 173.8 | 175.2 | 0 | 0 | 0 | 0 | 110.3 | L909 L1079 N1087 C1090 N1091 I1094 | L909-V1084 HydrophobicContact CD2-CB 4.36Å; L909-V1084 HydrophobicContact CD2-CG2 3.59Å; L1079-V1084 HydrophobicContact CD2-CG2 4.31Å; V1084-N1087 WeakPolarHBondContact O-CB 3.4Å; V1084-N1087 PolarHBondContact O-OD1 2.83Å; V1084-C1090 HydrophobicContact CG1-CB 3.52Å; V1084-N1091 VanDerWaalsContact CB-OD1 3.28Å; V1084-N1091 WeakPolarHBondContact CB-OD1 3.22Å; V1084-N1091 WeakPolarHBondContact CG1-OD1 3.4Å; V1084-I1094 HydrophobicContact CG1-CD1 4.17Å |
| 1085 | Y | 83.4 | Confident | 77.2 | Confident | 90 Ų | 90 | 60 Ų | 60 | 35% | 0.353 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 143.7 | 175.9 | -75.2 | -83 | 0 | 0 | 0 | 112.5 | C907 Y908 K1083 | C907-Y1085 WeakPolarHBondContact CA-O 3.27Å; Y908-Y1085 HydrophobicContact CE2-CD2 4.25Å; Y908-Y1085 HydrophobicContact CE2-CG 4.24Å; Y908-Y1085 PolarHBondContact N-O 2.9Å; Y908-Y1085 PolarHBondContact O-N 3.44Å; K1083-Y1085 HydrophobicContact CB-CD2 4.24Å; K1083-Y1085 HydrophobicContact CB-CE2 3.6Å |
| 1086 | P | 78.3 | Confident | 77.4 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 36% | 0.357 | 31% | 0.31 | S | S | . | . | S | Bend | cis | -65.2 | 131.8 | -17.9 | 25.3 | -34.2 | 0 | 0 | 0 | 112.6 | K906 L1088 D1089 C1090 | K906-P1086 WeakPolarHBondContact O-CD 3.07Å; P1086-L1088 VanDerWaalsContact C-N 3.34Å; P1086-L1088 PolarHBondContact O-N 2.94Å; P1086-D1089 HydrophobicContact CG-CB 4.29Å; P1086-D1089 PolarHBondContact O-N 2.84Å; P1086-C1090 VanDerWaalsContact CD-SG 3.56Å; P1086-C1090 WeakPolarHBondContact O-CB 3.27Å; P1086-C1090 PolarHBondContact O-N 2.88Å |
| 1087 | N | 69 | Low | 77.3 | Confident | 94 Ų | 94 | 62.6 Ų | 62.6 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -20.1 | -162.4 | -159.9 | 28.8 | 0 | 0 | 0 | 115.4 | V1084 N1091 | V1084-N1087 WeakPolarHBondContact O-CB 3.4Å; V1084-N1087 PolarHBondContact O-OD1 2.83Å; N1087-N1091 PolarHBondContact O-ND2 3.01Å; N1087-N1091 PolarHBondContact OD1-OD1 2.9Å |
| 1088 | L | 71.3 | Confident | 77.2 | Confident | 171 Ų | 171 | 62.6 Ų | 62.6 | 90% | 0.895 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -34.9 | 173.8 | -91.4 | 75.8 | 0 | 0 | 0 | 112.7 | P1086 | P1086-L1088 VanDerWaalsContact C-N 3.34Å; P1086-L1088 PolarHBondContact O-N 2.94Å |
| 1089 | D | 74.1 | Confident | 75.8 | Confident | 80 Ų | 80 | 68.3 Ų | 68.3 | 43% | 0.428 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -28.6 | -169.1 | -73.6 | 18.8 | 0 | 0 | 0 | 112.9 | K906 P1086 Y1093 | K906-D1089 IonicContact NZ-OD2 3.15Å; K906-D1089 PolarHBondContact NZ-OD2 2.81Å; P1086-D1089 HydrophobicContact CG-CB 4.29Å; P1086-D1089 PolarHBondContact O-N 2.84Å; D1089-Y1093 WeakPolarHBondContact O-CD2 3.23Å; D1089-Y1093 WeakPolarHBondContact O-CE2 3.48Å |
| 1090 | C | 76.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -107.5 | -4 | -155.7 | -75.2 | 0 | 0 | 0 | 0 | 116.5 | C907 V1084 P1086 D1092 Y1093 I1094 | C907-C1090 WeakPolarHBondContact CA-SG 3.37Å; C907-C1090 HydrophobicContact CB-CB 3.58Å; C907-C1090 WeakPolarHBondContact CB-SG 3.2Å; C907-C1090 WeakPolarHBondContact SG-CB 3.46Å; C907-C1090 CovalentContact SG-SG 2.03Å; C907-C1090 PolarHBondContact SG-SG 3.3Å; V1084-C1090 HydrophobicContact CG1-CB 3.52Å; P1086-C1090 VanDerWaalsContact CD-SG 3.56Å; P1086-C1090 WeakPolarHBondContact O-CB 3.27Å; P1086-C1090 PolarHBondContact O-N 2.88Å; C1090-D1092 VanDerWaalsContact C-N 3.29Å; C1090-D1092 PolarHBondContact O-N 3.35Å; C1090-Y1093 CarbonylContact O-C 3.58Å; C1090-Y1093 PolarHBondContact O-N 2.98Å; C1090-I1094 PolarHBondContact O-N 2.83Å |
| 1091 | N | 74.5 | Confident | 72.4 | Confident | 75 Ų | 75 | 72.7 Ų | 72.7 | 40% | 0.401 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -31.1 | -177.4 | -71.3 | -26.7 | 0 | 0 | 0 | 113.3 | V1084 N1087 Y1093 | V1084-N1091 VanDerWaalsContact CB-OD1 3.28Å; V1084-N1091 WeakPolarHBondContact CB-OD1 3.22Å; V1084-N1091 WeakPolarHBondContact CG1-OD1 3.4Å; N1087-N1091 PolarHBondContact O-ND2 3.01Å; N1087-N1091 PolarHBondContact OD1-OD1 2.9Å; N1091-Y1093 VanDerWaalsContact C-N 3.34Å |
| 1092 | D | 73.7 | Confident | 70.8 | Confident | 113 Ų | 113 | 70 Ų | 70 | 60% | 0.604 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -7.7 | 174 | -63 | -62 | 0 | 0 | 0 | 113.7 | K903 C1090 V1095 | K903-D1092 PolarHBondContact NZ-O 3.19Å; C1090-D1092 VanDerWaalsContact C-N 3.29Å; C1090-D1092 PolarHBondContact O-N 3.35Å; D1092-V1095 WeakPolarHBondContact O-CG1 3.29Å |
| 1093 | Y | 79.2 | Confident | 68.8 | Low | 85 Ų | 85 | 71.8 Ų | 71.8 | 33% | 0.333 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -9.3 | -176.6 | -57.2 | -41.2 | 0 | 0 | 0 | 114.5 | K903 Q904 D1089 C1090 N1091 | K903-Y1093 HydrophobicContact CB-CD1 4.36Å; K903-Y1093 HydrophobicContact CD-CD1 4.36Å; K903-Y1093 PolarHBondContact N-O 3.45Å; Q904-Y1093 HydrophobicContact CB-CG 4.49Å; Q904-Y1093 VanDerWaalsContact CD-CD2 3.44Å; Q904-Y1093 VanDerWaalsContact CD-CE2 3.46Å; Q904-Y1093 HydrophobicContact CG-CD1 4.18Å; Q904-Y1093 HydrophobicContact CG-CD2 4.1Å; Q904-Y1093 HydrophobicContact CG-CG 3.94Å; Q904-Y1093 VanDerWaalsContact NE2-CE2 3.28Å; D1089-Y1093 WeakPolarHBondContact O-CD2 3.23Å; D1089-Y1093 WeakPolarHBondContact O-CE2 3.48Å; C1090-Y1093 CarbonylContact O-C 3.58Å; C1090-Y1093 PolarHBondContact O-N 2.98Å; N1091-Y1093 VanDerWaalsContact C-N 3.34Å |
| 1094 | I | 82.3 | Confident | 67 | Low | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 119.2 | 164.2 | -50.2 | 179.8 | 0 | 0 | 0 | 109.1 | I900 Q901 F902 C907 L909 L1079 V1084 C1090 | I900-I1094 HydrophobicContact CD1-CG2 4.39Å; Q901-I1094 WeakPolarHBondContact O-CA 3.47Å; F902-I1094 HydrophobicContact CD1-CD1 3.9Å; F902-I1094 HydrophobicContact CD1-CG1 3.97Å; F902-I1094 HydrophobicContact CD1-CG2 4.39Å; F902-I1094 HydrophobicContact CE1-CD1 3.77Å; F902-I1094 HydrophobicContact CE1-CG1 4.25Å; F902-I1094 HydrophobicContact CE1-CG2 4.19Å; F902-I1094 HydrophobicContact CZ-CG2 4.39Å; C907-I1094 HydrophobicContact CB-CD1 3.92Å; C907-I1094 HydrophobicContact CB-CG1 3.84Å; L909-I1094 HydrophobicContact CD1-CG2 4.15Å; L909-I1094 HydrophobicContact CD2-CD1 3.84Å; L909-I1094 HydrophobicContact CD2-CG2 4.02Å; L909-I1094 HydrophobicContact CG-CD1 3.98Å; L909-I1094 HydrophobicContact CG-CG2 4.04Å; L1079-I1094 HydrophobicContact CD2-CG2 4.26Å; L1079-I1094 HydrophobicContact CG-CG2 4.43Å; V1084-I1094 HydrophobicContact CG1-CD1 4.17Å; C1090-I1094 PolarHBondContact O-N 2.83Å |
| 1095 | V | 74.9 | Confident | 65.4 | Low | 5 Ų | 5 | 67.7 Ų | 67.7 | 3% | 0.03 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 159.9 | -151.1 | -90 | 0 | 0 | 0 | 0 | 110.6 | I900 Q901 K903 D1092 L1147 N1148 | I900-V1095 CarbonylContact C-O 3.52Å; I900-V1095 WeakPolarHBondContact CA-O 3.4Å; I900-V1095 WeakPolarHBondContact CB-O 3.35Å; Q901-V1095 PolarHBondContact N-O 2.8Å; Q901-V1095 WeakPolarHBondContact O-CG2 3.38Å; Q901-V1095 PolarHBondContact O-N 3Å; Q901-V1095 VanDerWaalsContact O-N 3.17Å; K903-V1095 HydrophobicContact CD-CG2 4.03Å; K903-V1095 HydrophobicContact CG-CG2 4.03Å; D1092-V1095 WeakPolarHBondContact O-CG1 3.29Å; V1095-L1147 HydrophobicContact CB-CB 4.12Å; V1095-L1147 HydrophobicContact CB-CD2 4.38Å; V1095-L1147 HydrophobicContact CG1-CB 4.14Å; V1095-L1147 HydrophobicContact CG1-CD2 3.76Å; V1095-L1147 HydrophobicContact CG1-CG 4.42Å; V1095-N1148 VanDerWaalsContact C-CG 3.47Å; V1095-N1148 WeakPolarHBondContact CB-OD1 3.25Å; V1095-N1148 WeakPolarHBondContact CG2-OD1 3.41Å; V1095-N1148 PolarHBondContact O-ND2 2.83Å |
| 1096 | Y | 76.1 | Confident | 63.8 | Low | 68 Ų | 68 | 66.8 Ų | 66.8 | 27% | 0.267 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 123.1 | -167.1 | -75.3 | -52.5 | 0 | 0 | 0 | 115.9 | P899 I900 N1077 L1079 L1147 N1148 | P899-Y1096 CarbonylContact O-C 3.5Å; P899-Y1096 VanDerWaalsContact O-CA 3.26Å; P899-Y1096 WeakPolarHBondContact O-CA 3.43Å; I900-Y1096 HydrophobicContact CG2-CD1 3.82Å; I900-Y1096 HydrophobicContact CG2-CE1 4.23Å; N1077-Y1096 PolarHBondContact ND2-OH 3.44Å; N1077-Y1096 WeakPolarHBondContact OD1-CE1 3.35Å; N1077-Y1096 PolarHBondContact OD1-OH 2.96Å; L1079-Y1096 HydrophobicContact CB-CD1 4.31Å; L1079-Y1096 HydrophobicContact CB-CE1 3.53Å; L1079-Y1096 HydrophobicContact CB-CE2 4.39Å; L1079-Y1096 WeakPolarHBondContact CB-OH 3.36Å; L1079-Y1096 HydrophobicContact CD1-CD1 3.68Å; L1079-Y1096 HydrophobicContact CD1-CD2 4.3Å; L1079-Y1096 HydrophobicContact CD1-CE1 3.76Å; L1079-Y1096 HydrophobicContact CD1-CE2 4.34Å; L1079-Y1096 HydrophobicContact CD1-CG 3.9Å; L1079-Y1096 HydrophobicContact CG-CE1 4.26Å; Y1096-L1147 HydrophobicContact CD2-CB 3.54Å; Y1096-L1147 HydrophobicContact CD2-CD1 3.41Å; Y1096-L1147 VanDerWaalsContact CD2-CD1 3.41Å; Y1096-L1147 HydrophobicContact CD2-CG 4.12Å; Y1096-L1147 HydrophobicContact CE2-CB 4.41Å; Y1096-L1147 HydrophobicContact CE2-CD1 3.42Å; Y1096-L1147 VanDerWaalsContact CE2-CD1 3.42Å; Y1096-L1147 HydrophobicContact CG-CB 3.85Å; Y1096-L1147 HydrophobicContact CG-CD1 4.37Å; Y1096-L1147 CarbonylContact O-C 3.58Å; Y1096-N1148 VanDerWaalsContact C-CB 3.42Å; Y1096-N1148 VanDerWaalsContact N-N 3.2Å; Y1096-N1148 PolarHBondContact N-ND2 3.36Å; Y1096-N1148 CarbonylContact O-C 3.27Å; Y1096-N1148 WeakPolarHBondContact O-CA 3.41Å; Y1096-N1148 WeakPolarHBondContact O-CB 3.29Å; Y1096-N1148 PolarHBondContact O-N 3.46Å; Y1096-N1148 VanDerWaalsContact O-N 3.1Å |
| 1097 | G | 74 | Confident | 62.1 | Low | 18 Ų | 18 | 69 Ų | 69 | 19% | 0.186 | 40% | 0.396 | C | S | . | . | trans | 126 | -176.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111 | P899 I900 N1148 | P899-G1097 PolarHBondContact O-N 3.22Å; I900-G1097 CarbonylContact C-O 3.31Å; G1097-N1148 PolarHBondContact N-ND2 2.88Å; G1097-N1148 VanDerWaalsContact N-ND2 3.11Å; G1097-N1148 PolarHBondContact O-ND2 2.91Å | ||
| 1098 | C | 73.5 | Confident | 60.7 | Low | 19 Ų | 19 | 70.2 Ų | 70.2 | 13% | 0.128 | 41% | 0.412 | C | S | . | . | trans | -156.1 | 48.3 | 173.7 | -172.1 | 0 | 0 | 0 | 0 | 113.5 | P899 K928 W988 C1064 | P899-C1098 HydrophobicContact CB-CB 4.5Å; K928-C1098 VanDerWaalsContact CD-SG 3.58Å; K928-C1098 PolarHBondContact NZ-O 2.76Å; W988-C1098 HydrophobicContact CH2-CB 4.02Å; W988-C1098 HydrophobicContact CZ2-CB 3.47Å; W988-C1098 VanDerWaalsContact CZ2-CB 3.47Å; W988-C1098 VanDerWaalsContact CZ2-SG 3.53Å; C1064-C1098 HydrophobicContact CB-CB 3.7Å; C1064-C1098 WeakPolarHBondContact CB-SG 3.22Å; C1064-C1098 VanDerWaalsContact SG-CA 3.53Å; C1064-C1098 WeakPolarHBondContact SG-CB 3.24Å; C1064-C1098 CovalentContact SG-SG 2.02Å; C1064-C1098 PolarHBondContact SG-SG 2.86Å | ||
| 1099 | E | 55 | Low | 58.9 | Low | 122 Ų | 122 | 68.2 Ų | 68.2 | 57% | 0.57 | 40% | 0.398 | S | S | * | . | trans | -89.6 | 151.9 | 172.2 | -61.2 | -160.5 | 153.5 | 0 | 0 | 110.7 | ||||
| 1100 | P | 42.2 | Very low | 57 | Low | 110 Ų | 110 | 72.2 Ų | 72.2 | 71% | 0.714 | 42% | 0.419 | S | S | * | . | trans | -58.5 | 147.4 | 163.6 | 29.4 | -35.3 | 0 | 0 | 0 | 108.7 | T1102 | P1100-T1102 VanDerWaalsContact C-N 3.35Å; P1100-T1102 PolarHBondContact O-N 2.85Å | ||
| 1101 | M | 36.4 | Very low | 54.8 | Low | 141 Ų | 141 | 79.8 Ų | 79.8 | 70% | 0.695 | 45% | 0.453 | S | S | * | . | trans | -58.9 | 91.4 | -174.8 | -76.5 | 175.2 | 59.3 | 0 | 0 | 112.8 | S1103 | M1101-S1103 PolarHBondContact O-N 3.05Š| ||
| 1102 | T | 39.9 | Very low | 52.7 | Low | 71 Ų | 71 | 83.8 Ų | 83.8 | 44% | 0.436 | 47% | 0.474 | S | S | . | . | trans | -54 | 123.3 | 133.7 | 48.1 | 0 | 0 | 0 | 0 | 105.7 | P1100 G1104 | P1100-T1102 VanDerWaalsContact C-N 3.35Å; P1100-T1102 PolarHBondContact O-N 2.85Å; T1102-G1104 PolarHBondContact O-N 2.96Å | ||
| 1103 | S | 42 | Very low | 50.7 | Low | 49 Ų | 49 | 85 Ų | 85 | 34% | 0.343 | 48% | 0.48 | S | S | . | . | trans | -61.9 | 110.6 | -169.3 | 45.9 | 0 | 0 | 0 | 0 | 109.8 | M1101 M1136 | M1101-S1103 PolarHBondContact O-N 3.05Å; S1103-M1136 WeakPolarHBondContact O-CG 3.48Å | ||
| 1104 | G | 46.1 | Very low | 48.3 | Very low | 33 Ų | 33 | 87.9 Ų | 87.9 | 34% | 0.34 | 50% | 0.502 | S | S | . | . | trans | -50.3 | 147.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | T1102 A1106 N1145 | T1102-G1104 PolarHBondContact O-N 2.96Å; G1104-A1106 PolarHBondContact O-N 3.33Å; G1104-N1145 WeakPolarHBondContact CA-OD1 3.24Å | ||
| 1105 | C | 50.6 | Low | 45.7 | Very low | 23 Ų | 23 | 95.3 Ų | 95.3 | 16% | 0.155 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -39.9 | 107.6 | -163.6 | -53.2 | 0 | 0 | 0 | 0 | 112.1 | S1107 C1143 N1145 | C1105-S1107 PolarHBondContact O-N 3.07Å; C1105-C1143 WeakPolarHBondContact CA-SG 3.32Å; C1105-C1143 HydrophobicContact CB-CB 3.69Å; C1105-C1143 WeakPolarHBondContact CB-SG 3.26Å; C1105-C1143 VanDerWaalsContact SG-CA 3.57Å; C1105-C1143 WeakPolarHBondContact SG-CB 3.28Å; C1105-C1143 PolarHBondContact SG-O 3.36Å; C1105-C1143 CovalentContact SG-SG 2.03Å; C1105-C1143 PolarHBondContact SG-SG 3.21Å; C1105-N1145 PolarHBondContact N-OD1 2.83Å; C1105-N1145 PolarHBondContact SG-OD1 3Å |
| 1106 | A | 51.3 | Low | 43.5 | Very low | 70 Ų | 70 | 99.6 Ų | 99.6 | 58% | 0.579 | 57% | 0.57 | S | S | * | * | trans | -58.9 | 113.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G1104 S1108 | G1104-A1106 PolarHBondContact O-N 3.33Å; A1106-S1108 PolarHBondContact O-N 3Å | ||
| 1107 | S | 42 | Very low | 41.4 | Very low | 101 Ų | 101 | 100.4 Ų | 100.4 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | trans | -76.9 | 96.1 | -167.8 | 54 | 0 | 0 | 0 | 0 | 111.1 | C1105 E1109 | C1105-S1107 PolarHBondContact O-N 3.07Å; S1107-E1109 PolarHBondContact O-N 2.89Å | ||
| 1108 | S | 38.9 | Very low | 39.2 | Very low | 121 Ų | 121 | 104.6 Ų | 104.6 | 85% | 0.846 | 60% | 0.597 | S | S | * | * | trans | -70.5 | 63.8 | 162.7 | -166.7 | 0 | 0 | 0 | 0 | 110.5 | A1106 N1110 | A1106-S1108 PolarHBondContact O-N 3Å; S1108-N1110 PolarHBondContact O-N 2.62Å | ||
| 1109 | E | 33.7 | Very low | 37.1 | Very low | 129 Ų | 129 | 111 Ų | 111 | 60% | 0.603 | 62% | 0.619 | S | S | * | * | trans | -87.7 | 82.3 | 168.6 | -82 | -160.2 | -176.9 | 0 | 0 | 110.3 | S1107 K1111 | S1107-E1109 PolarHBondContact O-N 2.89Å; E1109-K1111 PolarHBondContact O-N 3.02Å; E1109-K1111 WeakPolarHBondContact OE2-CE 3.44Å; E1109-K1111 IonicContact OE2-NZ 2.62Å; E1109-K1111 PolarHBondContact OE2-NZ 3.03Å | ||
| 1110 | N | 33.8 | Very low | 35.8 | Very low | 163 Ų | 163 | 110.8 Ų | 110.8 | 87% | 0.872 | 63% | 0.631 | S | S | * | * | trans | -83.7 | 94.3 | 154.8 | -102.3 | -16.9 | 0 | 0 | 0 | 108.6 | S1108 N1112 | S1108-N1110 PolarHBondContact O-N 2.62Å; N1110-N1112 PolarHBondContact O-N 3.21Å | ||
| 1111 | K | 30.5 | Very low | 35.2 | Very low | 160 Ų | 160 | 109.6 Ų | 109.6 | 70% | 0.696 | 63% | 0.625 | S | S | * | * | trans | -70 | 116.7 | 173.1 | -76.8 | 176 | 166.1 | 111.4 | 0 | 110.4 | E1109 | E1109-K1111 PolarHBondContact O-N 3.02Å; E1109-K1111 WeakPolarHBondContact OE2-CE 3.44Å; E1109-K1111 IonicContact OE2-NZ 2.62Å; E1109-K1111 PolarHBondContact OE2-NZ 3.03Å | ||
| 1112 | N | 31.8 | Very low | 34.8 | Very low | 158 Ų | 158 | 111 Ų | 111 | 85% | 0.845 | 63% | 0.628 | S | S | * | * | trans | -157.7 | 158.9 | 142.4 | -99.4 | -37.7 | 0 | 0 | 0 | 110.9 | N1110 | N1110-N1112 PolarHBondContact O-N 3.21Š| ||
| 1113 | N | 30.4 | Very low | 34.3 | Very low | 138 Ų | 138 | 115.1 Ų | 115.1 | 74% | 0.738 | 64% | 0.642 | S | S | * | * | trans | -87.3 | 159.4 | -155.3 | -62.3 | -39.4 | 0 | 0 | 0 | 115.5 | ||||
| 1114 | N | 28.3 | Very low | 33.6 | Very low | 147 Ų | 147 | 119.4 Ų | 119.4 | 79% | 0.786 | 66% | 0.661 | S | S | * | * | trans | 86.3 | 128.3 | 153.3 | -59.9 | -24.5 | 0 | 0 | 0 | 120.2 | ||||
| 1115 | I | 28.3 | Very low | 32.8 | Very low | 155 Ų | 155 | 126.7 Ų | 126.7 | 80% | 0.795 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 78.9 | 103.6 | 156.1 | -56.6 | 156.5 | 0 | 0 | 0 | 118.2 | ||
| 1116 | S | 28 | Very low | 31.6 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 66% | 0.664 | 71% | 0.713 | S | S | * | * | trans | 68.4 | 144.1 | 156.5 | 72.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1117 | P | 32.2 | Very low | 30.5 | Very low | 86 Ų | 86 | 134.8 Ų | 134.8 | 56% | 0.558 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -85.7 | 163.5 | 176.1 | 36.1 | -35.8 | 0 | 0 | 0 | 113 | ||
| 1118 | F | 28.2 | Very low | 29.9 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 47% | 0.465 | 73% | 0.729 | S | S | . | * | trans | 63.2 | 90.7 | 177.6 | -62.5 | -85.3 | 0 | 0 | 0 | 116.2 | L1304 | F1118-L1304 HydrophobicContact CD1-CD1 3.75Å; F1118-L1304 HydrophobicContact CE1-CD1 3.73Å | ||
| 1119 | Y | 28.8 | Very low | 29.5 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 60% | 0.604 | 73% | 0.727 | S | S | * | * | -179.8 | 125.4 | 128.6 | -104.3 | -67.6 | 0 | 0 | 0 | 111.6 | V1313 | Y1119-V1313 HydrophobicContact CE2-CB 4.26Å; Y1119-V1313 HydrophobicContact CE2-CG2 4.33Å | |||
| 1120 | S | 28.8 | Very low | 29.3 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | trans | 168.3 | 142.9 | 134.6 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1121 | S | 29.6 | Very low | 29.3 | Very low | 85 Ų | 85 | 135.3 Ų | 135.3 | 59% | 0.594 | 73% | 0.73 | S | S | * | * | trans | -154.3 | 156.9 | 160.8 | 52.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1122 | F | 28.1 | Very low | 29.5 | Very low | 170 Ų | 170 | 137 Ų | 137 | 75% | 0.746 | 74% | 0.737 | S | S | * | * | trans | 84.3 | 149.2 | 174.3 | -65.2 | -78.7 | 0 | 0 | 0 | 120.3 | ||||
| 1123 | H | 28.2 | Very low | 29.8 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | 72.5 | 129.8 | 179.4 | -59.2 | -70.5 | 0 | 0 | 0 | 116.4 | ||||
| 1124 | D | 28.3 | Very low | 30.8 | Very low | 139 Ų | 139 | 134 Ų | 134 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | cis | -148.4 | -171 | 1.4 | -112.6 | -22.3 | 0 | 0 | 0 | 114.2 | ||||
| 1125 | F | 29.3 | Very low | 32.3 | Very low | 185 Ų | 185 | 132.3 Ų | 132.3 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | trans | -69.9 | 170.7 | -167.9 | -107.1 | -113 | 0 | 0 | 0 | 117.5 | ||||
| 1126 | D | 25.8 | Very low | 34.3 | Very low | 143 Ų | 143 | 126.1 Ų | 126.1 | 77% | 0.765 | 68% | 0.683 | S | S | * | * | trans | 63.2 | 95.1 | 160.2 | -66.6 | -21.4 | 0 | 0 | 0 | 120.4 | ||||
| 1127 | S | 28.1 | Very low | 36.8 | Very low | 120 Ų | 120 | 122.2 Ų | 122.2 | 84% | 0.839 | 66% | 0.656 | S | S | * | * | -166.4 | 153.8 | 111.4 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1128 | S | 28.2 | Very low | 39.3 | Very low | 112 Ų | 112 | 120.1 Ų | 120.1 | 78% | 0.783 | 64% | 0.637 | S | S | * | * | trans | -54.6 | 128.5 | -179.7 | 50.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1129 | D | 30.6 | Very low | 42.2 | Very low | 150 Ų | 150 | 115.3 Ų | 115.3 | 80% | 0.802 | 62% | 0.617 | S | S | * | * | -161.8 | 115.6 | 114.8 | -124.6 | -11.9 | 0 | 0 | 0 | 112.7 | S1131 | D1129-S1131 VanDerWaalsContact C-N 3.29Å; D1129-S1131 PolarHBondContact O-N 3.46Å | |||
| 1130 | D | 30.8 | Very low | 45 | Very low | 178 Ų | 178 | 112.6 Ų | 112.6 | 95% | 0.952 | 61% | 0.613 | S | S | * | * | trans | -88 | 58.4 | -170.3 | -137.5 | -16.8 | 0 | 0 | 0 | 111.6 | ||||
| 1131 | S | 32.3 | Very low | 47.6 | Very low | 85 Ų | 85 | 107.5 Ų | 107.5 | 59% | 0.594 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -145.8 | 124.4 | 174.4 | 87 | 0 | 0 | 0 | 0 | 116.3 | D1129 | D1129-S1131 VanDerWaalsContact C-N 3.29Å; D1129-S1131 PolarHBondContact O-N 3.46Å |
| 1132 | K | 35.5 | Very low | 50 | Low | 195 Ų | 195 | 110.4 Ų | 110.4 | 85% | 0.848 | 58% | 0.58 | S | S | * | * | trans | 65.6 | 49 | 158.2 | -55.4 | 177.5 | -177.5 | 170.4 | 0 | 119.2 | ||||
| 1133 | N | 38.7 | Very low | 52.5 | Low | 141 Ų | 141 | 104 Ų | 104 | 75% | 0.754 | 56% | 0.556 | S | S | * | * | trans | -111 | 94.9 | 147.7 | -91.6 | -33.3 | 0 | 0 | 0 | 110 | ||||
| 1134 | V | 50.3 | Low | 54.3 | Low | 94 Ų | 94 | 99.8 Ų | 99.8 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | trans | -103.4 | 116 | 171.4 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | M1136 | V1134-M1136 HydrophobicContact CB-CE 3.64Å; V1134-M1136 HydrophobicContact CG1-CE 3.56Å; V1134-M1136 WeakPolarHBondContact O-CE 3.28Å; V1134-M1136 PolarHBondContact O-N 3.06Å | ||
| 1135 | N | 60.5 | Low | 55.7 | Low | 111 Ų | 111 | 97.3 Ų | 97.3 | 59% | 0.594 | 53% | 0.525 | S | S | * | . | trans | -64.1 | 106.6 | 175.6 | -70 | 4.9 | 0 | 0 | 0 | 109.2 | C1137 | N1135-C1137 PolarHBondContact O-N 3.36Š| ||
| 1136 | M | 71 | Confident | 56.6 | Low | 24 Ų | 24 | 96 Ų | 96 | 12% | 0.118 | 52% | 0.515 | C | S | . | . | S | Bend | trans | -64.8 | -23.9 | 178.1 | -68 | -62 | 98.6 | 0 | 0 | 112.7 | S1103 V1134 F1150 C1152 Q1163 | S1103-M1136 WeakPolarHBondContact O-CG 3.48Å; V1134-M1136 HydrophobicContact CB-CE 3.64Å; V1134-M1136 HydrophobicContact CG1-CE 3.56Å; V1134-M1136 WeakPolarHBondContact O-CE 3.28Å; V1134-M1136 PolarHBondContact O-N 3.06Å; M1136-F1150 HydrophobicContact CB-CD1 4.06Å; M1136-F1150 HydrophobicContact CB-CD2 3.8Å; M1136-F1150 HydrophobicContact CB-CE1 4.12Å; M1136-F1150 HydrophobicContact CB-CE2 3.87Å; M1136-F1150 HydrophobicContact CB-CG 3.91Å; M1136-F1150 HydrophobicContact CB-CZ 4.03Å; M1136-F1150 HydrophobicContact CG-CD1 4Å; M1136-F1150 HydrophobicContact CG-CE1 4.09Å; M1136-F1150 HydrophobicContact CG-CG 4.28Å; M1136-F1150 HydrophobicContact CG-CZ 4.45Å; M1136-F1150 WeakPolarHBondContact O-CE2 3.4Å; M1136-F1150 HydrophobicContact SD-CD1 3.96Å; M1136-F1150 HydrophobicContact SD-CE1 3.55Å; M1136-F1150 VanDerWaalsContact SD-CE1 3.55Å; M1136-F1150 HydrophobicContact SD-CZ 4.02Å; M1136-C1152 PolarHBondContact O-SG 3.02Å; M1136-Q1163 PolarHBondContact O-NE2 3.18Å |
| 1137 | C | 79.5 | Confident | 57.3 | Low | 13 Ų | 13 | 92.1 Ų | 92.1 | 9% | 0.088 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -125.3 | 132 | 175.8 | -55.1 | 0 | 0 | 0 | 0 | 108.9 | N1135 G1141 C1143 C1152 | N1135-C1137 PolarHBondContact O-N 3.36Å; C1137-G1141 WeakPolarHBondContact CB-O 3.08Å; C1137-C1143 HydrophobicContact CB-CB 4.36Å; C1137-C1143 WeakPolarHBondContact SG-CA 3.4Å; C1137-C1143 WeakPolarHBondContact SG-CB 3.41Å; C1137-C1152 WeakPolarHBondContact CA-SG 3.33Å; C1137-C1152 HydrophobicContact CB-CB 3.67Å; C1137-C1152 WeakPolarHBondContact CB-SG 3.26Å; C1137-C1152 WeakPolarHBondContact SG-CA 3.5Å; C1137-C1152 WeakPolarHBondContact SG-CB 3.23Å; C1137-C1152 CovalentContact SG-SG 2.02Å; C1137-C1152 PolarHBondContact SG-SG 2.71Å |
| 1138 | Y | 84.7 | Confident | 58 | Low | 42 Ų | 42 | 87.4 Ų | 87.4 | 17% | 0.165 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -91.9 | 170.4 | 176.5 | -61.1 | -87 | 0 | 0 | 0 | 110.6 | D1140 G1141 Q1163 D1165 Y1395 | Y1138-D1140 VanDerWaalsContact C-N 3.28Å; Y1138-D1140 PolarHBondContact O-N 3.44Å; Y1138-G1141 PolarHBondContact O-N 2.86Å; Y1138-Q1163 HydrophobicContact CD2-CB 3.82Å; Y1138-Q1163 HydrophobicContact CE2-CB 4.04Å; Y1138-Q1163 PolarHBondContact N-O 3.01Å; Y1138-D1165 HydrophobicContact CD2-CB 3.75Å; Y1138-D1165 HydrophobicContact CE2-CB 4.35Å; Y1138-D1165 HydrophobicContact CG-CB 4.31Å; Y1138-Y1395 HydrophobicContact CD1-CD2 4.46Å; Y1138-Y1395 HydrophobicContact CD1-CG 4.17Å |
| 1139 | N | 89.7 | Confident | 59 | Low | 6 Ų | 6 | 85 Ų | 85 | 3% | 0.032 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 36.2 | 169.3 | -55 | -42.7 | 0 | 0 | 0 | 115.2 | G1141 T1157 F1159 C1164 R1293 F1394 Y1395 | N1139-G1141 PolarHBondContact O-N 3.24Å; N1139-T1157 VanDerWaalsContact O-CB 3.29Å; N1139-T1157 WeakPolarHBondContact O-CB 3.43Å; N1139-T1157 VanDerWaalsContact O-CG2 3.23Å; N1139-T1157 WeakPolarHBondContact O-CG2 3.36Å; N1139-F1159 HydrophobicContact CB-CD2 3.33Å; N1139-F1159 HydrophobicContact CB-CE2 3.68Å; N1139-F1159 HydrophobicContact CB-CG 4.01Å; N1139-F1159 VanDerWaalsContact CG-CD2 3.47Å; N1139-F1159 WeakPolarHBondContact ND2-CD2 3.43Å; N1139-F1159 WeakPolarHBondContact ND2-CG 3.41Å; N1139-C1164 PolarHBondContact ND2-O 3.45Å; N1139-R1293 PolarHBondContact O-NH1 3.38Å; N1139-F1394 HydrophobicContact CB-CD1 4.19Å; N1139-F1394 VanDerWaalsContact OD1-CA 3.27Å; N1139-F1394 WeakPolarHBondContact OD1-CA 3.49Å; N1139-F1394 WeakPolarHBondContact OD1-CB 3.4Å; N1139-Y1395 PolarHBondContact ND2-O 3.05Å; N1139-Y1395 PolarHBondContact OD1-N 3.17Å; N1139-Y1395 PolarHBondContact OD1-O 2.89Å |
| 1140 | D | 86.4 | Confident | 60.5 | Low | 97 Ų | 97 | 78.6 Ų | 78.6 | 52% | 0.519 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 22.7 | -174 | -45.6 | -52.1 | 0 | 0 | 0 | 114.8 | Y1138 K1142 R1293 | Y1138-D1140 VanDerWaalsContact C-N 3.28Å; Y1138-D1140 PolarHBondContact O-N 3.44Å; D1140-K1142 PolarHBondContact O-N 2.9Å; D1140-K1142 VanDerWaalsContact O-N 3.13Å; D1140-R1293 IonicContact OD2-CZ 2.66Å; D1140-R1293 IonicContact OD2-NH1 3.42Å; D1140-R1293 PolarHBondContact OD2-NH1 3Å; D1140-R1293 IonicContact OD2-NH2 3.18Å; D1140-R1293 PolarHBondContact OD2-NH2 3.06Å |
| 1141 | G | 84.1 | Confident | 62.1 | Low | 8 Ų | 8 | 73.6 Ų | 73.6 | 8% | 0.082 | 37% | 0.373 | C | S | . | . | trans | -54.8 | 117.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110 | C1137 Y1138 N1139 C1143 T1157 | C1137-G1141 WeakPolarHBondContact CB-O 3.08Å; Y1138-G1141 PolarHBondContact O-N 2.86Å; N1139-G1141 PolarHBondContact O-N 3.24Å; G1141-C1143 PolarHBondContact O-N 2.96Å; G1141-T1157 VanDerWaalsContact N-CG2 3.31Å | ||
| 1142 | K | 80.5 | Confident | 64.2 | Low | 146 Ų | 146 | 69.6 Ų | 69.6 | 64% | 0.635 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 107.1 | -178 | -175.7 | 177.7 | 179.7 | -179.2 | 0 | 107.9 | D1140 L1144 A1153 | D1140-K1142 PolarHBondContact O-N 2.9Å; D1140-K1142 VanDerWaalsContact O-N 3.13Å; K1142-L1144 HydrophobicContact CD-CD2 3.84Å; K1142-L1144 HydrophobicContact CG-CD2 3.93Å; K1142-L1144 PolarHBondContact O-N 3.43Å; K1142-A1153 HydrophobicContact CB-CB 4.35Å; K1142-A1153 PolarHBondContact N-O 3.15Å; K1142-A1153 PolarHBondContact O-N 2.84Å |
| 1143 | C | 79.6 | Confident | 66.3 | Low | 37 Ų | 37 | 61.1 Ų | 61.1 | 25% | 0.25 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 105.4 | 171.9 | -167.8 | 0 | 0 | 0 | 0 | 108.1 | C1105 C1137 G1141 | C1105-C1143 WeakPolarHBondContact CA-SG 3.32Å; C1105-C1143 HydrophobicContact CB-CB 3.69Å; C1105-C1143 WeakPolarHBondContact CB-SG 3.26Å; C1105-C1143 VanDerWaalsContact SG-CA 3.57Å; C1105-C1143 WeakPolarHBondContact SG-CB 3.28Å; C1105-C1143 PolarHBondContact SG-O 3.36Å; C1105-C1143 CovalentContact SG-SG 2.03Å; C1105-C1143 PolarHBondContact SG-SG 3.21Å; C1137-C1143 HydrophobicContact CB-CB 4.36Å; C1137-C1143 WeakPolarHBondContact SG-CA 3.4Å; C1137-C1143 WeakPolarHBondContact SG-CB 3.41Å; G1141-C1143 PolarHBondContact O-N 2.96Å |
| 1144 | L | 66.9 | Low | 68.5 | Low | 70 Ų | 70 | 54.8 Ų | 54.8 | 37% | 0.366 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 122.1 | 169 | -60.2 | -178.8 | 0 | 0 | 0 | 107 | K1142 R1146 Y1151 A1153 | K1142-L1144 HydrophobicContact CD-CD2 3.84Å; K1142-L1144 HydrophobicContact CG-CD2 3.93Å; K1142-L1144 PolarHBondContact O-N 3.43Å; L1144-R1146 PolarHBondContact O-N 3.41Å; L1144-Y1151 WeakPolarHBondContact CB-O 3.4Å; L1144-Y1151 HydrophobicContact CD1-CD1 4.33Å; L1144-Y1151 PolarHBondContact N-O 3.08Å; L1144-Y1151 PolarHBondContact O-N 3.09Å; L1144-A1153 HydrophobicContact CD1-CB 3.93Å; L1144-A1153 HydrophobicContact CG-CB 4.25Å |
| 1145 | N | 57.7 | Low | 70 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 47% | 0.465 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 104.9 | 163.1 | -74.7 | -38.2 | 0 | 0 | 0 | 107 | G1104 C1105 | G1104-N1145 WeakPolarHBondContact CA-OD1 3.24Å; C1105-N1145 PolarHBondContact N-OD1 2.83Å; C1105-N1145 PolarHBondContact SG-OD1 3Å |
| 1146 | R | 47 | Very low | 71.2 | Confident | 156 Ų | 156 | 49.5 Ų | 49.5 | 59% | 0.589 | 25% | 0.247 | S | C | * | . | trans | -77.3 | 165.8 | 149.6 | -74.3 | -174.6 | 177.3 | -162.8 | -3.6 | 107.1 | L1144 N1148 T1149 | L1144-R1146 PolarHBondContact O-N 3.41Å; R1146-N1148 PolarHBondContact O-N 3.3Å; R1146-T1149 CarbonylContact C-O 3.58Å; R1146-T1149 VanDerWaalsContact C-O 3.29Å; R1146-T1149 VanDerWaalsContact CA-O 3.27Å; R1146-T1149 WeakPolarHBondContact CA-O 3.08Å; R1146-T1149 VanDerWaalsContact CB-O 3.25Å; R1146-T1149 WeakPolarHBondContact CB-O 3.22Å; R1146-T1149 PolarHBondContact N-O 3.2Å | ||
| 1147 | L | 40.6 | Very low | 72 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 33% | 0.325 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -59.9 | 127.8 | 170.1 | -53.3 | 146.9 | 0 | 0 | 0 | 105.9 | L1079 V1095 Y1096 T1149 | L1079-L1147 HydrophobicContact CD1-CB 4.37Å; L1079-L1147 HydrophobicContact CD1-CD1 4.39Å; L1079-L1147 HydrophobicContact CD1-CD2 4.11Å; L1079-L1147 HydrophobicContact CD2-CD2 4.45Å; V1095-L1147 HydrophobicContact CB-CB 4.12Å; V1095-L1147 HydrophobicContact CB-CD2 4.38Å; V1095-L1147 HydrophobicContact CG1-CB 4.14Å; V1095-L1147 HydrophobicContact CG1-CD2 3.76Å; V1095-L1147 HydrophobicContact CG1-CG 4.42Å; Y1096-L1147 HydrophobicContact CD2-CB 3.54Å; Y1096-L1147 HydrophobicContact CD2-CD1 3.41Å; Y1096-L1147 VanDerWaalsContact CD2-CD1 3.41Å; Y1096-L1147 HydrophobicContact CD2-CG 4.12Å; Y1096-L1147 HydrophobicContact CE2-CB 4.41Å; Y1096-L1147 HydrophobicContact CE2-CD1 3.42Å; Y1096-L1147 VanDerWaalsContact CE2-CD1 3.42Å; Y1096-L1147 HydrophobicContact CG-CB 3.85Å; Y1096-L1147 HydrophobicContact CG-CD1 4.37Å; Y1096-L1147 CarbonylContact O-C 3.58Å; L1147-T1149 PolarHBondContact O-N 2.84Å; L1147-T1149 PolarHBondContact O-OG1 3.35Å |
| 1148 | N | 42.6 | Very low | 72.6 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 11% | 0.112 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 21.7 | 21.6 | -161.4 | -35.6 | -46.2 | 0 | 0 | 0 | 121.6 | Q901 V1095 Y1096 G1097 R1146 | Q901-N1148 WeakPolarHBondContact CB-ND2 3.41Å; Q901-N1148 PolarHBondContact N-ND2 3.26Å; Q901-N1148 PolarHBondContact OE1-OD1 2.69Å; V1095-N1148 VanDerWaalsContact C-CG 3.47Å; V1095-N1148 WeakPolarHBondContact CB-OD1 3.25Å; V1095-N1148 WeakPolarHBondContact CG2-OD1 3.41Å; V1095-N1148 PolarHBondContact O-ND2 2.83Å; Y1096-N1148 VanDerWaalsContact C-CB 3.42Å; Y1096-N1148 VanDerWaalsContact N-N 3.2Å; Y1096-N1148 PolarHBondContact N-ND2 3.36Å; Y1096-N1148 CarbonylContact O-C 3.27Å; Y1096-N1148 WeakPolarHBondContact O-CA 3.41Å; Y1096-N1148 WeakPolarHBondContact O-CB 3.29Å; Y1096-N1148 PolarHBondContact O-N 3.46Å; Y1096-N1148 VanDerWaalsContact O-N 3.1Å; G1097-N1148 PolarHBondContact N-ND2 2.88Å; G1097-N1148 VanDerWaalsContact N-ND2 3.11Å; G1097-N1148 PolarHBondContact O-ND2 2.91Å; R1146-N1148 PolarHBondContact O-N 3.3Å |
| 1149 | T | 49.4 | Very low | 72.9 | Confident | 63 Ų | 63 | 46.2 Ų | 46.2 | 39% | 0.387 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -132.7 | 136.3 | 163 | 45.5 | 0 | 0 | 0 | 0 | 107.2 | R1146 L1147 | R1146-T1149 CarbonylContact C-O 3.58Å; R1146-T1149 VanDerWaalsContact C-O 3.29Å; R1146-T1149 VanDerWaalsContact CA-O 3.27Å; R1146-T1149 WeakPolarHBondContact CA-O 3.08Å; R1146-T1149 VanDerWaalsContact CB-O 3.25Å; R1146-T1149 WeakPolarHBondContact CB-O 3.22Å; R1146-T1149 PolarHBondContact N-O 3.2Å; L1147-T1149 PolarHBondContact O-N 2.84Å; L1147-T1149 PolarHBondContact O-OG1 3.35Å |
| 1150 | F | 62.6 | Low | 72.7 | Confident | 15 Ų | 15 | 49.1 Ų | 49.1 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 137.3 | 156.1 | 64.6 | -91.7 | 0 | 0 | 0 | 106.8 | M1136 H1162 Q1163 | M1136-F1150 HydrophobicContact CB-CD1 4.06Å; M1136-F1150 HydrophobicContact CB-CD2 3.8Å; M1136-F1150 HydrophobicContact CB-CE1 4.12Å; M1136-F1150 HydrophobicContact CB-CE2 3.87Å; M1136-F1150 HydrophobicContact CB-CG 3.91Å; M1136-F1150 HydrophobicContact CB-CZ 4.03Å; M1136-F1150 HydrophobicContact CG-CD1 4Å; M1136-F1150 HydrophobicContact CG-CE1 4.09Å; M1136-F1150 HydrophobicContact CG-CG 4.28Å; M1136-F1150 HydrophobicContact CG-CZ 4.45Å; M1136-F1150 WeakPolarHBondContact O-CE2 3.4Å; M1136-F1150 HydrophobicContact SD-CD1 3.96Å; M1136-F1150 HydrophobicContact SD-CE1 3.55Å; M1136-F1150 VanDerWaalsContact SD-CE1 3.55Å; M1136-F1150 HydrophobicContact SD-CZ 4.02Å; F1150-H1162 AromaticContact CZ-NE2 4Å; F1150-H1162 PolarHBondContact O-CE1 3.14Å; F1150-Q1163 HydrophobicContact CE2-CG 4.22Å; F1150-Q1163 HydrophobicContact CZ-CG 4.43Å |
| 1151 | Y | 65.4 | Low | 72.2 | Confident | 72 Ų | 72 | 45.9 Ų | 45.9 | 28% | 0.282 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 119.6 | 169 | 170 | -99.8 | 0 | 0 | 0 | 107.5 | L1144 A1153 | L1144-Y1151 WeakPolarHBondContact CB-O 3.4Å; L1144-Y1151 HydrophobicContact CD1-CD1 4.33Å; L1144-Y1151 PolarHBondContact N-O 3.08Å; L1144-Y1151 PolarHBondContact O-N 3.09Å; Y1151-A1153 HydrophobicContact CD1-CB 4.49Å; Y1151-A1153 HydrophobicContact CE1-CB 4.02Å; Y1151-A1153 PolarHBondContact O-N 2.71Å |
| 1152 | C | 76.2 | Confident | 71.6 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 111.4 | 174.7 | -55.5 | 0 | 0 | 0 | 0 | 109 | M1136 C1137 C1154 H1162 C1164 | M1136-C1152 PolarHBondContact O-SG 3.02Å; C1137-C1152 WeakPolarHBondContact CA-SG 3.33Å; C1137-C1152 HydrophobicContact CB-CB 3.67Å; C1137-C1152 WeakPolarHBondContact CB-SG 3.26Å; C1137-C1152 WeakPolarHBondContact SG-CA 3.5Å; C1137-C1152 WeakPolarHBondContact SG-CB 3.23Å; C1137-C1152 CovalentContact SG-SG 2.02Å; C1137-C1152 PolarHBondContact SG-SG 2.71Å; C1152-C1154 PolarHBondContact O-N 2.87Å; C1152-C1154 VanDerWaalsContact O-N 3.08Å; C1152-C1154 PolarHBondContact O-SG 2.57Å; C1152-H1162 WeakPolarHBondContact CB-O 3.36Å; C1152-H1162 PolarHBondContact SG-O 2.81Å; C1152-H1162 VanDerWaalsContact SG-O 3.36Å; C1152-C1164 WeakPolarHBondContact CB-SG 3.37Å |
| 1153 | A | 79.6 | Confident | 71.6 | Confident | 18 Ų | 18 | 46.4 Ų | 46.4 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 96.6 | 172 | 0 | 0 | 0 | 0 | 0 | 108.9 | K1142 L1144 Y1151 D1155 | K1142-A1153 HydrophobicContact CB-CB 4.35Å; K1142-A1153 PolarHBondContact N-O 3.15Å; K1142-A1153 PolarHBondContact O-N 2.84Å; L1144-A1153 HydrophobicContact CD1-CB 3.93Å; L1144-A1153 HydrophobicContact CG-CB 4.25Å; Y1151-A1153 HydrophobicContact CD1-CB 4.49Å; Y1151-A1153 HydrophobicContact CE1-CB 4.02Å; Y1151-A1153 PolarHBondContact O-N 2.71Å; A1153-D1155 VanDerWaalsContact C-N 3.33Å |
| 1154 | C | 84.3 | Confident | 71.9 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 5% | 0.054 | 23% | 0.225 | C | C | . | . | trans | -83.4 | -4.8 | -174.1 | -49.9 | 0 | 0 | 0 | 0 | 114.2 | C1152 L1156 T1157 F1159 C1164 | C1152-C1154 PolarHBondContact O-N 2.87Å; C1152-C1154 VanDerWaalsContact O-N 3.08Å; C1152-C1154 PolarHBondContact O-SG 2.57Å; C1154-L1156 PolarHBondContact O-N 2.77Å; C1154-L1156 VanDerWaalsContact O-N 3.09Å; C1154-T1157 HydrophobicContact CB-CG2 4.47Å; C1154-T1157 WeakPolarHBondContact O-CB 3.03Å; C1154-T1157 PolarHBondContact O-N 2.93Å; C1154-T1157 PolarHBondContact O-OG1 2.73Å; C1154-F1159 VanDerWaalsContact CB-O 3.23Å; C1154-F1159 WeakPolarHBondContact CB-O 3.42Å; C1154-C1164 WeakPolarHBondContact CA-SG 3.21Å; C1154-C1164 HydrophobicContact CB-CB 3.84Å; C1154-C1164 WeakPolarHBondContact CB-SG 3.14Å; C1154-C1164 WeakPolarHBondContact SG-CA 3.15Å; C1154-C1164 WeakPolarHBondContact SG-CB 3.36Å; C1154-C1164 CovalentContact SG-SG 2.03Å; C1154-C1164 PolarHBondContact SG-SG 3.49Å | ||
| 1155 | D | 81.5 | Confident | 72.7 | Confident | 42 Ų | 42 | 41.9 Ų | 41.9 | 23% | 0.225 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -29.8 | -171.2 | -55.7 | -59.1 | 0 | 0 | 0 | 113.8 | A1153 Y1351 R1356 | A1153-D1155 VanDerWaalsContact C-N 3.33Å; D1155-Y1351 HydrophobicContact CB-CD2 3.75Å; D1155-Y1351 HydrophobicContact CB-CE2 3.67Å; D1155-Y1351 HydrophobicContact CB-CG 4.27Å; D1155-Y1351 WeakPolarHBondContact O-CB 3.44Å; D1155-R1356 IonicContact OD1-CZ 3.98Å; D1155-R1356 VanDerWaalsContact OD1-CZ 3.23Å; D1155-R1356 IonicContact OD1-NE 2.77Å; D1155-R1356 PolarHBondContact OD1-NE 2.98Å; D1155-R1356 IonicContact OD1-NH2 2.78Å; D1155-R1356 PolarHBondContact OD1-NH2 2.84Å |
| 1156 | L | 85.5 | Confident | 74.1 | Confident | 52 Ų | 52 | 41.5 Ų | 41.5 | 27% | 0.272 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 19.3 | 177.1 | -53.7 | -174.7 | 0 | 0 | 0 | 113.7 | C1154 I1215 Y1351 | C1154-L1156 PolarHBondContact O-N 2.77Å; C1154-L1156 VanDerWaalsContact O-N 3.09Å; L1156-I1215 HydrophobicContact CD1-CG2 4.21Å; L1156-I1215 HydrophobicContact CD2-CG2 3.44Å; L1156-I1215 VanDerWaalsContact CD2-CG2 3.44Å; L1156-I1215 HydrophobicContact CG-CG2 4.49Å; L1156-Y1351 HydrophobicContact CD2-CD1 3.61Å; L1156-Y1351 HydrophobicContact CD2-CE1 3.6Å |
| 1157 | T | 88 | Confident | 76 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -25.9 | -175.8 | 72.5 | 0 | 0 | 0 | 0 | 114.3 | N1139 G1141 C1154 F1159 C1164 R1293 | N1139-T1157 VanDerWaalsContact O-CB 3.29Å; N1139-T1157 WeakPolarHBondContact O-CB 3.43Å; N1139-T1157 VanDerWaalsContact O-CG2 3.23Å; N1139-T1157 WeakPolarHBondContact O-CG2 3.36Å; G1141-T1157 VanDerWaalsContact N-CG2 3.31Å; C1154-T1157 HydrophobicContact CB-CG2 4.47Å; C1154-T1157 WeakPolarHBondContact O-CB 3.03Å; C1154-T1157 PolarHBondContact O-N 2.93Å; C1154-T1157 PolarHBondContact O-OG1 2.73Å; T1157-F1159 WeakPolarHBondContact O-CD2 3.47Å; T1157-F1159 PolarHBondContact O-N 2.8Å; T1157-F1159 PolarHBondContact OG1-N 2.81Å; T1157-F1159 PolarHBondContact OG1-O 3.13Å; T1157-C1164 HydrophobicContact CG2-CB 4.4Å; T1157-R1293 VanDerWaalsContact O-CD 3.25Å; T1157-R1293 WeakPolarHBondContact O-CD 3.45Å |
| 1158 | T | 92.9 | Very high | 78.3 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 69.3 | 2.9 | -166.3 | 67.8 | 0 | 0 | 0 | 0 | 115.7 | G1168 T1217 I1218 Y1291 R1293 | T1158-G1168 PolarHBondContact O-N 3.28Å; T1158-T1217 HydrophobicContact CG2-CG2 3.55Å; T1158-I1218 VanDerWaalsContact CG2-C 3.45Å; T1158-Y1291 WeakPolarHBondContact CB-OH 3.31Å; T1158-Y1291 PolarHBondContact OG1-OH 2.85Å; T1158-R1293 HydrophobicContact CG2-CG 3.94Å |
| 1159 | F | 90.4 | Very high | 80.7 | Confident | 7 Ų | 7 | 32.4 Ų | 32.4 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 172.5 | 171.5 | -64.5 | -89.4 | 0 | 0 | 0 | 110.9 | N1139 C1154 T1157 C1164 E1166 Y1291 L1386 F1394 T1396 | N1139-F1159 HydrophobicContact CB-CD2 3.33Å; N1139-F1159 HydrophobicContact CB-CE2 3.68Å; N1139-F1159 HydrophobicContact CB-CG 4.01Å; N1139-F1159 VanDerWaalsContact CG-CD2 3.47Å; N1139-F1159 WeakPolarHBondContact ND2-CD2 3.43Å; N1139-F1159 WeakPolarHBondContact ND2-CG 3.41Å; C1154-F1159 VanDerWaalsContact CB-O 3.23Å; C1154-F1159 WeakPolarHBondContact CB-O 3.42Å; T1157-F1159 WeakPolarHBondContact O-CD2 3.47Å; T1157-F1159 PolarHBondContact O-N 2.8Å; T1157-F1159 PolarHBondContact OG1-N 2.81Å; T1157-F1159 PolarHBondContact OG1-O 3.13Å; F1159-C1164 HydrophobicContact CB-CB 4.28Å; F1159-C1164 VanDerWaalsContact CB-O 3.23Å; F1159-C1164 WeakPolarHBondContact CB-O 3.46Å; F1159-E1166 CarbonylContact C-O 3.52Å; F1159-E1166 WeakPolarHBondContact CA-O 3.34Å; F1159-E1166 VanDerWaalsContact CB-O 3.29Å; F1159-E1166 WeakPolarHBondContact CB-O 3.29Å; F1159-E1166 WeakPolarHBondContact CD1-O 3.21Å; F1159-Y1291 HydrophobicContact CE2-CE1 4.11Å; F1159-Y1291 HydrophobicContact CZ-CD1 4.48Å; F1159-Y1291 AromaticContact CZ-CE1 3.79Å; F1159-Y1291 HydrophobicContact CZ-CE1 3.79Å; F1159-L1386 HydrophobicContact CE1-CD1 4.48Å; F1159-L1386 HydrophobicContact CE1-CD2 3.85Å; F1159-L1386 HydrophobicContact CZ-CD2 4.2Å; F1159-F1394 HydrophobicContact CE2-CB 4.23Å; F1159-F1394 HydrophobicContact CE2-CD1 4.03Å; F1159-F1394 AromaticContact CE2-CG 3.99Å; F1159-F1394 HydrophobicContact CE2-CG 3.99Å; F1159-F1394 HydrophobicContact CZ-CB 3.92Å; F1159-F1394 HydrophobicContact CZ-CG 4.09Å; F1159-T1396 HydrophobicContact CE1-CG2 4.02Å |
| 1160 | Q | 84.5 | Confident | 82.7 | Confident | 68 Ų | 68 | 29.6 Ų | 29.6 | 32% | 0.318 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | -167.6 | 177.2 | 68 | -179 | -23.1 | 0 | 0 | 111.1 | C1164 D1165 E1166 V1167 | Q1160-C1164 CarbonylContact O-C 3.6Å; Q1160-C1164 VanDerWaalsContact O-C 3.31Å; Q1160-C1164 VanDerWaalsContact O-CA 3.22Å; Q1160-C1164 WeakPolarHBondContact O-CA 3.45Å; Q1160-D1165 PolarHBondContact O-N 2.65Å; Q1160-D1165 VanDerWaalsContact O-N 3.13Å; Q1160-E1166 HydrophobicContact CG-CB 4.21Å; Q1160-E1166 PolarHBondContact N-O 3.33Å; Q1160-E1166 PolarHBondContact O-N 2.9Å; Q1160-V1167 WeakPolarHBondContact CG-O 3.16Å; Q1160-V1167 PolarHBondContact NE2-O 2.83Å |
| 1161 | G | 75.9 | Confident | 84.1 | Confident | 28 Ų | 28 | 28.9 Ų | 28.9 | 29% | 0.289 | 15% | 0.152 | S | C | . | . | S | Bend | trans | 81.5 | 168.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q1163 C1164 E1166 | G1161-Q1163 PolarHBondContact O-N 2.95Å; G1161-Q1163 VanDerWaalsContact O-N 3.15Å; G1161-C1164 PolarHBondContact O-N 3.18Å; G1161-C1164 VanDerWaalsContact O-N 3.11Å; G1161-E1166 WeakPolarHBondContact CA-OE2 3.48Å |
| 1162 | H | 72.8 | Confident | 85.2 | Confident | 113 Ų | 113 | 27.2 Ų | 27.2 | 52% | 0.523 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -31.3 | -170.6 | 179.8 | 44.3 | 0 | 0 | 0 | 114.1 | F1150 C1152 | F1150-H1162 AromaticContact CZ-NE2 4Å; F1150-H1162 PolarHBondContact O-CE1 3.14Å; C1152-H1162 WeakPolarHBondContact CB-O 3.36Å; C1152-H1162 PolarHBondContact SG-O 2.81Å; C1152-H1162 VanDerWaalsContact SG-O 3.36Å |
| 1163 | Q | 80.9 | Confident | 85.7 | Confident | 53 Ų | 53 | 27.1 Ų | 27.1 | 25% | 0.248 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 13.1 | 179.2 | -51.6 | -161.1 | -91.9 | 0 | 0 | 113.7 | M1136 Y1138 F1150 G1161 D1165 | M1136-Q1163 PolarHBondContact O-NE2 3.18Å; Y1138-Q1163 HydrophobicContact CD2-CB 3.82Å; Y1138-Q1163 HydrophobicContact CE2-CB 4.04Å; Y1138-Q1163 PolarHBondContact N-O 3.01Å; F1150-Q1163 HydrophobicContact CE2-CG 4.22Å; F1150-Q1163 HydrophobicContact CZ-CG 4.43Å; G1161-Q1163 PolarHBondContact O-N 2.95Å; G1161-Q1163 VanDerWaalsContact O-N 3.15Å; Q1163-D1165 VanDerWaalsContact C-N 3.26Å; Q1163-D1165 HydrophobicContact CB-CB 4.41Å; Q1163-D1165 PolarHBondContact O-N 2.93Å |
| 1164 | C | 84.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 55.9 | 36.1 | -169 | -44.9 | 0 | 0 | 0 | 0 | 113.7 | N1139 C1152 C1154 T1157 F1159 Q1160 G1161 | N1139-C1164 PolarHBondContact ND2-O 3.45Å; C1152-C1164 WeakPolarHBondContact CB-SG 3.37Å; C1154-C1164 WeakPolarHBondContact CA-SG 3.21Å; C1154-C1164 HydrophobicContact CB-CB 3.84Å; C1154-C1164 WeakPolarHBondContact CB-SG 3.14Å; C1154-C1164 WeakPolarHBondContact SG-CA 3.15Å; C1154-C1164 WeakPolarHBondContact SG-CB 3.36Å; C1154-C1164 CovalentContact SG-SG 2.03Å; C1154-C1164 PolarHBondContact SG-SG 3.49Å; T1157-C1164 HydrophobicContact CG2-CB 4.4Å; F1159-C1164 HydrophobicContact CB-CB 4.28Å; F1159-C1164 VanDerWaalsContact CB-O 3.23Å; F1159-C1164 WeakPolarHBondContact CB-O 3.46Å; Q1160-C1164 CarbonylContact O-C 3.6Å; Q1160-C1164 VanDerWaalsContact O-C 3.31Å; Q1160-C1164 VanDerWaalsContact O-CA 3.22Å; Q1160-C1164 WeakPolarHBondContact O-CA 3.45Å; G1161-C1164 PolarHBondContact O-N 3.18Å; G1161-C1164 VanDerWaalsContact O-N 3.11Å |
| 1165 | D | 84.2 | Confident | 83.8 | Confident | 11 Ų | 11 | 31.7 Ų | 31.7 | 6% | 0.059 | 16% | 0.163 | C | C | . | . | trans | -112.3 | 5.1 | -172.5 | 66.4 | -28.4 | 0 | 0 | 0 | 114.7 | Y1138 Q1160 Q1163 K1397 | Y1138-D1165 HydrophobicContact CD2-CB 3.75Å; Y1138-D1165 HydrophobicContact CE2-CB 4.35Å; Y1138-D1165 HydrophobicContact CG-CB 4.31Å; Q1160-D1165 PolarHBondContact O-N 2.65Å; Q1160-D1165 VanDerWaalsContact O-N 3.13Å; Q1163-D1165 VanDerWaalsContact C-N 3.26Å; Q1163-D1165 HydrophobicContact CB-CB 4.41Å; Q1163-D1165 PolarHBondContact O-N 2.93Å; D1165-K1397 HydrophobicContact CB-CG 4.36Å; D1165-K1397 PolarHBondContact O-N 2.87Å; D1165-K1397 WeakPolarHBondContact OD1-CE 3.4Å; D1165-K1397 IonicContact OD1-NZ 3.8Å; D1165-K1397 WeakPolarHBondContact OD2-CE 3.4Å; D1165-K1397 WeakPolarHBondContact OD2-CG 3.38Å; D1165-K1397 IonicContact OD2-NZ 2.74Å | ||
| 1166 | E | 86.7 | Confident | 82 | Confident | 79 Ų | 79 | 36.1 Ų | 36.1 | 37% | 0.369 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 148.7 | 170.9 | -65.3 | 174.2 | 160.2 | 0 | 0 | 109.8 | F1159 Q1160 G1161 K1397 | F1159-E1166 CarbonylContact C-O 3.52Å; F1159-E1166 WeakPolarHBondContact CA-O 3.34Å; F1159-E1166 VanDerWaalsContact CB-O 3.29Å; F1159-E1166 WeakPolarHBondContact CB-O 3.29Å; F1159-E1166 WeakPolarHBondContact CD1-O 3.21Å; Q1160-E1166 HydrophobicContact CG-CB 4.21Å; Q1160-E1166 PolarHBondContact N-O 3.33Å; Q1160-E1166 PolarHBondContact O-N 2.9Å; G1161-E1166 WeakPolarHBondContact CA-OE2 3.48Å; E1166-K1397 VanDerWaalsContact CD-NZ 3.33Å; E1166-K1397 HydrophobicContact CG-CD 4.05Å; E1166-K1397 IonicContact OE1-NZ 3.16Å; E1166-K1397 PolarHBondContact OE1-NZ 3.24Å |
| 1167 | V | 88 | Confident | 79.7 | Confident | 35 Ų | 35 | 36.4 Ų | 36.4 | 21% | 0.212 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 139.3 | 179.7 | -163.1 | 0 | 0 | 0 | 0 | 109.7 | Q1160 T1348 F1384 L1386 | Q1160-V1167 WeakPolarHBondContact CG-O 3.16Å; Q1160-V1167 PolarHBondContact NE2-O 2.83Å; V1167-T1348 HydrophobicContact CG1-CG2 4.3Å; V1167-F1384 HydrophobicContact CG1-CD1 3.82Å; V1167-F1384 HydrophobicContact CG1-CE1 3.84Å; V1167-L1386 HydrophobicContact CG1-CD1 3.98Å; V1167-L1386 HydrophobicContact CG2-CB 4.07Å; V1167-L1386 HydrophobicContact CG2-CD1 4.28Å; V1167-L1386 HydrophobicContact CG2-CD2 4.41Å |
| 1168 | G | 89 | Confident | 77 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 169.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1158 T1170 T1348 | T1158-G1168 PolarHBondContact O-N 3.28Å; G1168-T1170 PolarHBondContact O-N 3.16Å; G1168-T1170 VanDerWaalsContact O-N 3.16Å; G1168-T1170 PolarHBondContact O-OG1 2.89Å; G1168-T1348 WeakPolarHBondContact CA-OG1 3.25Å; G1168-T1348 PolarHBondContact O-OG1 2.86Å |
| 1169 | T | 91.7 | Very high | 74.4 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 121.4 | 169.9 | -53.2 | 0 | 0 | 0 | 0 | 109.5 | T1348 G1349 T1358 D1359 S1362 L1364 Y1380 | T1169-T1348 WeakPolarHBondContact O-CA 3.34Å; T1169-T1348 PolarHBondContact O-OG1 2.88Å; T1169-G1349 PolarHBondContact O-N 2.95Å; T1169-T1358 WeakPolarHBondContact CG2-O 3.32Å; T1169-T1358 VanDerWaalsContact O-CB 3.26Å; T1169-T1358 WeakPolarHBondContact O-CB 3.35Å; T1169-T1358 WeakPolarHBondContact O-CG2 3.46Å; T1169-T1358 PolarHBondContact O-OG1 3.48Å; T1169-D1359 WeakPolarHBondContact CB-OD1 3.41Å; T1169-D1359 PolarHBondContact OG1-OD1 3.45Å; T1169-S1362 WeakPolarHBondContact CG2-OG 3.47Å; T1169-L1364 HydrophobicContact CG2-CD1 3.86Å; T1169-Y1380 HydrophobicContact CG2-CD2 4.02Å; T1169-Y1380 HydrophobicContact CG2-CE2 3.85Å |
| 1170 | T | 93.3 | Very high | 71.5 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.5 | -170.5 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | G1168 Y1346 V1347 T1348 Y1380 T1381 F1384 | G1168-T1170 PolarHBondContact O-N 3.16Å; G1168-T1170 VanDerWaalsContact O-N 3.16Å; G1168-T1170 PolarHBondContact O-OG1 2.89Å; T1170-Y1346 HydrophobicContact CG2-CD1 3.93Å; T1170-Y1346 HydrophobicContact CG2-CG 4.47Å; T1170-V1347 WeakPolarHBondContact CA-O 3.38Å; T1170-T1348 WeakPolarHBondContact OG1-CB 3.37Å; T1170-T1348 PolarHBondContact OG1-OG1 2.87Å; T1170-T1348 VanDerWaalsContact OG1-OG1 3.11Å; T1170-Y1380 WeakPolarHBondContact O-CD2 3.5Å; T1170-T1381 HydrophobicContact CG2-CG2 4.09Å; T1170-T1381 PolarHBondContact O-N 3.28Å; T1170-F1384 HydrophobicContact CG2-CB 3.84Å; T1170-F1384 HydrophobicContact CG2-CD1 3.78Å; T1170-F1384 HydrophobicContact CG2-CD2 4.29Å; T1170-F1384 HydrophobicContact CG2-CE1 4.41Å; T1170-F1384 HydrophobicContact CG2-CG 3.72Å; T1170-F1384 WeakPolarHBondContact OG1-CD1 3.18Å |
| 1171 | L | 91.6 | Very high | 69 | Low | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 138.4 | 170 | -61.6 | 172.9 | 0 | 0 | 0 | 109 | F1173 L1331 Y1346 V1347 T1358 A1361 V1378 E1379 | L1171-F1173 HydrophobicContact CB-CD2 4.08Å; L1171-F1173 HydrophobicContact CB-CE2 3.63Å; L1171-F1173 HydrophobicContact CD1-CE2 4.07Å; L1171-F1173 HydrophobicContact CD1-CZ 4.48Å; L1171-L1331 HydrophobicContact CD1-CD2 4.19Å; L1171-Y1346 WeakPolarHBondContact O-CA 3.4Å; L1171-V1347 PolarHBondContact N-O 3.05Å; L1171-V1347 PolarHBondContact O-N 2.86Å; L1171-T1358 HydrophobicContact CD1-CG2 4.01Å; L1171-T1358 HydrophobicContact CG-CG2 4.15Å; L1171-A1361 HydrophobicContact CD1-CB 3.84Å; L1171-V1378 HydrophobicContact CB-CG1 4.1Å; L1171-V1378 HydrophobicContact CD1-CG1 4.15Å; L1171-V1378 HydrophobicContact CD2-CG1 4.28Å; L1171-V1378 HydrophobicContact CG-CG1 4.41Å; L1171-E1379 CarbonylContact C-O 3.52Å; L1171-E1379 WeakPolarHBondContact CA-O 3.33Å |
| 1172 | H | 89 | Confident | 66.7 | Low | 36 Ų | 36 | 58.1 Ų | 58.1 | 17% | 0.167 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 127.8 | 171.9 | -179.2 | -115.4 | 0 | 0 | 0 | 109 | G1174 G1345 Y1346 V1378 E1379 T1381 | H1172-G1174 PolarHBondContact CE1-O 2.95Å; H1172-G1345 PolarHBondContact CD2-O 3.1Å; H1172-Y1346 HydrophobicContact CB-CD1 4.09Å; H1172-Y1346 HydrophobicContact CB-CE1 3.98Å; H1172-Y1346 AromaticContact CD2-CD1 3.78Å; H1172-Y1346 AromaticContact CD2-CE1 3.34Å; H1172-Y1346 WeakPolarHBondContact CD2-CE1 3.34Å; H1172-Y1346 AromaticContact CD2-CE2 3.87Å; H1172-Y1346 AromaticContact CD2-CZ 3.37Å; H1172-Y1346 AromaticContact CG-CE1 3.91Å; H1172-Y1346 AromaticContact NE2-CZ 3.9Å; H1172-V1378 WeakPolarHBondContact O-CA 3.39Å; H1172-E1379 PolarHBondContact N-O 3.47Å; H1172-E1379 PolarHBondContact O-N 3.37Å; H1172-T1381 HydrophobicContact CB-CG2 4.19Å |
| 1173 | F | 85.9 | Confident | 64.6 | Low | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 117.6 | -176.8 | -78.3 | -117 | 0 | 0 | 0 | 109.7 | L1171 G1198 V1200 L1331 I1343 Q1344 G1345 V1347 E1377 V1378 | L1171-F1173 HydrophobicContact CB-CD2 4.08Å; L1171-F1173 HydrophobicContact CB-CE2 3.63Å; L1171-F1173 HydrophobicContact CD1-CE2 4.07Å; L1171-F1173 HydrophobicContact CD1-CZ 4.48Å; F1173-G1198 WeakPolarHBondContact CD1-O 3.28Å; F1173-V1200 HydrophobicContact CZ-CG2 4.46Å; F1173-L1331 HydrophobicContact CZ-CD2 4.01Å; F1173-L1331 HydrophobicContact CZ-CG 4.07Å; F1173-I1343 HydrophobicContact CB-CB 4.16Å; F1173-I1343 HydrophobicContact CB-CG2 3.98Å; F1173-I1343 WeakPolarHBondContact CB-O 3.3Å; F1173-I1343 HydrophobicContact CD1-CB 3.98Å; F1173-I1343 HydrophobicContact CD1-CG2 4.44Å; F1173-I1343 HydrophobicContact CE1-CD1 4.38Å; F1173-I1343 HydrophobicContact CG-CB 4.19Å; F1173-I1343 HydrophobicContact CG-CG2 4.16Å; F1173-Q1344 WeakPolarHBondContact O-CA 3.42Å; F1173-G1345 PolarHBondContact N-O 2.89Å; F1173-G1345 PolarHBondContact O-N 2.95Å; F1173-V1347 HydrophobicContact CD2-CB 4.16Å; F1173-V1347 HydrophobicContact CD2-CG2 3.52Å; F1173-V1347 HydrophobicContact CE2-CB 3.81Å; F1173-V1347 HydrophobicContact CE2-CG2 3.48Å; F1173-V1347 VanDerWaalsContact CE2-CG2 3.48Å; F1173-V1347 HydrophobicContact CG-CG2 4.25Å; F1173-V1347 HydrophobicContact CZ-CG2 4.18Å; F1173-E1377 WeakPolarHBondContact CA-O 3.19Å; F1173-V1378 HydrophobicContact CD1-CG2 3.99Å; F1173-V1378 HydrophobicContact CD2-CG1 4.19Å; F1173-V1378 HydrophobicContact CE1-CG1 4.45Å; F1173-V1378 HydrophobicContact CE1-CG2 3.97Å; F1173-V1378 HydrophobicContact CE2-CG1 3.86Å; F1173-V1378 HydrophobicContact CG-CG2 4.39Å; F1173-V1378 HydrophobicContact CZ-CG1 4Å; F1173-V1378 HydrophobicContact CZ-CG2 4.34Å |
| 1174 | G | 69.5 | Low | 62.2 | Low | 7 Ų | 7 | 61 Ų | 61 | 7% | 0.072 | 35% | 0.346 | C | S | . | . | trans | 73.7 | 152.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | H1172 E1377 | H1172-G1174 PolarHBondContact CE1-O 2.95Å; G1174-E1377 PolarHBondContact N-O 3.01Å | ||
| 1175 | K | 54.6 | Low | 59.8 | Low | 114 Ų | 114 | 66.9 Ų | 66.9 | 50% | 0.496 | 38% | 0.378 | S | S | . | . | trans | -110.6 | 132.8 | -179.5 | -136.8 | 160.4 | -163.3 | 142.5 | 0 | 111.3 | G1177 E1377 E1379 | K1175-G1177 VanDerWaalsContact C-N 3.28Å; K1175-G1177 PolarHBondContact O-N 2.94Å; K1175-E1377 WeakPolarHBondContact CB-OE1 3.25Å; K1175-E1377 WeakPolarHBondContact CB-OE2 3.31Å; K1175-E1377 PolarHBondContact N-OE2 3.29Å; K1175-E1379 IonicContact NZ-OE1 2.78Å | ||
| 1176 | I | 43.8 | Very low | 57.3 | Low | 135 Ų | 135 | 69.4 Ų | 69.4 | 69% | 0.692 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 87 | 173.3 | -58 | 171.9 | 0 | 0 | 0 | 108.5 | D1223 | I1176-D1223 WeakPolarHBondContact CD1-OD2 3.36Å; I1176-D1223 WeakPolarHBondContact CG1-OD2 3.37Å |
| 1177 | G | 37.5 | Very low | 54.7 | Low | 59 Ų | 59 | 72.6 Ų | 72.6 | 61% | 0.608 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -161.2 | -24.1 | -163.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | K1175 | K1175-G1177 VanDerWaalsContact C-N 3.28Å; K1175-G1177 PolarHBondContact O-N 2.94Å |
| 1178 | S | 31 | Very low | 52 | Low | 85 Ų | 85 | 80.4 Ų | 80.4 | 59% | 0.594 | 44% | 0.44 | S | S | * | . | trans | 170.3 | 118.9 | 163.4 | -85.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1179 | I | 38.3 | Very low | 49.3 | Very low | 111 Ų | 111 | 85.9 Ų | 85.9 | 57% | 0.569 | 47% | 0.472 | S | S | * | . | trans | -137.5 | 109.4 | 165.9 | -58.1 | -178.9 | 0 | 0 | 0 | 110.8 | A1181 | I1179-A1181 HydrophobicContact CG2-CB 3.85Š| ||
| 1180 | N | 29 | Very low | 46.5 | Very low | 159 Ų | 159 | 90.6 Ų | 90.6 | 85% | 0.85 | 50% | 0.497 | S | S | * | . | trans | -103.5 | 96.4 | 158.4 | -86.4 | -11.2 | 0 | 0 | 0 | 108.2 | ||||
| 1181 | A | 31.6 | Very low | 43.6 | Very low | 60 Ų | 60 | 94.2 Ų | 94.2 | 50% | 0.496 | 52% | 0.519 | S | S | . | . | trans | -92.4 | 104.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1179 | I1179-A1181 HydrophobicContact CG2-CB 3.85Š| ||
| 1182 | H | 28.1 | Very low | 40.7 | Very low | 145 Ų | 145 | 95.9 Ų | 95.9 | 67% | 0.671 | 53% | 0.528 | S | S | * | . | trans | -148.8 | 158.7 | 156.5 | -84.8 | -73.6 | 0 | 0 | 0 | 109.2 | K1232 | H1182-K1232 VanDerWaalsContact NE2-CE 3.33Å; H1182-K1232 WeakPolarHBondContact NE2-CE 3.34Å; H1182-K1232 PolarHBondContact NE2-NZ 3.43Å | ||
| 1183 | S | 28.3 | Very low | 38 | Very low | 109 Ų | 109 | 98 Ų | 98 | 76% | 0.762 | 54% | 0.544 | S | S | * | . | trans | 62.1 | 97 | -174.7 | 76 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1184 | F | 31.7 | Very low | 35.8 | Very low | 118 Ų | 118 | 105.1 Ų | 105.1 | 52% | 0.518 | 58% | 0.575 | S | S | . | * | trans | -114.7 | 154.1 | 148.9 | -107.2 | -90.4 | 0 | 0 | 0 | 108.4 | ||||
| 1185 | N | 32.4 | Very low | 34.6 | Very low | 124 Ų | 124 | 111.4 Ų | 111.4 | 66% | 0.663 | 60% | 0.602 | S | S | * | * | trans | -146.3 | 123.9 | 179 | -175.1 | -27.1 | 0 | 0 | 0 | 109.4 | N1187 | N1185-N1187 VanDerWaalsContact C-N 3.27Å; N1185-N1187 PolarHBondContact O-N 2.92Å | ||
| 1186 | P | 31.7 | Very low | 34.3 | Very low | 63 Ų | 63 | 111.1 Ų | 111.1 | 41% | 0.409 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55 | -20.6 | -164.5 | -33.5 | 37.5 | 0 | 0 | 0 | 120.1 | N1338 | P1186-N1338 WeakPolarHBondContact CB-ND2 3.28Å; P1186-N1338 HydrophobicContact CG-CB 4.12Å |
| 1187 | N | 32.8 | Very low | 35 | Very low | 146 Ų | 146 | 106.2 Ų | 106.2 | 78% | 0.781 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | 34 | -157.8 | -68 | -15.3 | 0 | 0 | 0 | 115.1 | N1185 | N1185-N1187 VanDerWaalsContact C-N 3.27Å; N1185-N1187 PolarHBondContact O-N 2.92Å |
| 1188 | R | 32.1 | Very low | 36.6 | Very low | 199 Ų | 199 | 103.5 Ų | 103.5 | 75% | 0.751 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -130 | 144.2 | 171.6 | -78.8 | -166.2 | 174.9 | -167.2 | 1.2 | 113.6 | ||
| 1189 | T | 31.1 | Very low | 39.2 | Very low | 122 Ų | 122 | 99.9 Ų | 99.9 | 75% | 0.748 | 52% | 0.52 | S | S | * | . | trans | -65.2 | 145.8 | -176.6 | 39.8 | 0 | 0 | 0 | 0 | 112.8 | T1191 | T1189-T1191 VanDerWaalsContact C-N 3.35Å; T1189-T1191 PolarHBondContact O-N 3.46Å | ||
| 1190 | L | 34 | Very low | 41.6 | Very low | 106 Ų | 106 | 94.6 Ų | 94.6 | 56% | 0.555 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -80 | 74.4 | -168.9 | -161.3 | 137.2 | 0 | 0 | 0 | 111.9 | F1199 Y1375 | L1190-F1199 HydrophobicContact CD1-CZ 4.31Å; L1190-F1199 HydrophobicContact CD2-CZ 4.2Å; L1190-Y1375 HydrophobicContact CD2-CD1 4.26Å; L1190-Y1375 HydrophobicContact CD2-CE1 4.22Å |
| 1191 | T | 31.7 | Very low | 44.5 | Very low | 81 Ų | 81 | 88.3 Ų | 88.3 | 50% | 0.497 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -128.2 | -5.1 | 174.2 | 73.9 | 0 | 0 | 0 | 0 | 114.7 | D85 T1189 | D85-T1191 VanDerWaalsContact OD1-CB 3.24Å; D85-T1191 WeakPolarHBondContact OD1-CB 3.3Å; D85-T1191 PolarHBondContact OD1-OG1 2.97Å; T1189-T1191 VanDerWaalsContact C-N 3.35Å; T1189-T1191 PolarHBondContact O-N 3.46Å |
| 1192 | N | 29.8 | Very low | 47.3 | Very low | 35 Ų | 35 | 85.4 Ų | 85.4 | 19% | 0.187 | 44% | 0.435 | C | S | . | . | trans | -144.5 | 27.4 | -152.7 | -97.9 | -62.5 | 0 | 0 | 0 | 117.6 | Q83 L84 D85 | Q83-N1192 WeakPolarHBondContact CB-OD1 3.08Å; Q83-N1192 VanDerWaalsContact NE2-CB 3.3Å; Q83-N1192 VanDerWaalsContact NE2-CG 3.29Å; Q83-N1192 PolarHBondContact NE2-ND2 3.4Å; L84-N1192 VanDerWaalsContact C-OD1 3.26Å; L84-N1192 WeakPolarHBondContact CA-OD1 3.41Å; L84-N1192 PolarHBondContact N-OD1 2.79Å; D85-N1192 PolarHBondContact N-OD1 3.08Å; D85-N1192 PolarHBondContact OD1-ND2 2.77Å; D85-N1192 PolarHBondContact OD2-ND2 2.92Å | ||
| 1193 | T | 33.2 | Very low | 50 | Low | 81 Ų | 81 | 80.4 Ų | 80.4 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -130.4 | 101.8 | -178.7 | 50.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1194 | K | 39.9 | Very low | 52.5 | Low | 149 Ų | 149 | 76 Ų | 76 | 65% | 0.648 | 38% | 0.379 | S | S | * | . | trans | 43.3 | 120.6 | 151.7 | -62.9 | 175.4 | -179.2 | 171.6 | 0 | 118.5 | Y1196 | K1194-Y1196 VanDerWaalsContact C-N 3.25Å; K1194-Y1196 PolarHBondContact O-N 2.84Å | ||
| 1195 | Q | 44 | Very low | 54.3 | Low | 138 Ų | 138 | 73.9 Ų | 73.9 | 65% | 0.645 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 3.8 | -167.2 | -66.7 | 165.9 | -77.7 | 0 | 0 | 119 | ||
| 1196 | Y | 48.4 | Very low | 55.6 | Low | 108 Ų | 108 | 76 Ų | 76 | 42% | 0.424 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 5.7 | -165 | -54.1 | -66.3 | 0 | 0 | 0 | 115.6 | K1194 | K1194-Y1196 VanDerWaalsContact C-N 3.25Å; K1194-Y1196 PolarHBondContact O-N 2.84Å |
| 1197 | T | 57.9 | Low | 56.7 | Low | 33 Ų | 33 | 75 Ų | 75 | 20% | 0.202 | 37% | 0.368 | C | S | . | . | trans | -113.4 | 86.7 | -169.9 | 56.7 | 0 | 0 | 0 | 0 | 112.1 | F1342 A1376 | T1197-F1342 HydrophobicContact CG2-CD2 3.51Å; T1197-F1342 HydrophobicContact CG2-CE2 3.54Å; T1197-F1342 HydrophobicContact CG2-CG 4.09Å; T1197-F1342 HydrophobicContact CG2-CZ 4.14Å; T1197-A1376 WeakPolarHBondContact O-CB 3.44Å | ||
| 1198 | G | 72.3 | Confident | 57.5 | Low | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | trans | -73.3 | 135.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F1173 Y1375 | F1173-G1198 WeakPolarHBondContact CD1-O 3.28Å; G1198-Y1375 VanDerWaalsContact CA-O 3.31Å; G1198-Y1375 WeakPolarHBondContact CA-O 3.49Å | ||
| 1199 | F | 86.2 | Confident | 58.2 | Low | 10 Ų | 10 | 70.5 Ų | 70.5 | 4% | 0.044 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 166.9 | 166.2 | 59.8 | -90.6 | 0 | 0 | 0 | 112.9 | L1190 W1330 L1331 H1333 F1342 Y1375 V1378 | L1190-F1199 HydrophobicContact CD1-CZ 4.31Å; L1190-F1199 HydrophobicContact CD2-CZ 4.2Å; F1199-W1330 HydrophobicContact CD2-CE3 4.22Å; F1199-W1330 HydrophobicContact CD2-CZ3 4.35Å; F1199-W1330 HydrophobicContact CE2-CE3 4.25Å; F1199-W1330 AromaticContact CE2-CZ3 3.91Å; F1199-W1330 HydrophobicContact CE2-CZ3 3.91Å; F1199-L1331 WeakPolarHBondContact CA-O 3.31Å; F1199-L1331 WeakPolarHBondContact CB-O 3.38Å; F1199-H1333 HydrophobicContact CB-CB 3.64Å; F1199-H1333 HydrophobicContact CD1-CB 4.08Å; F1199-H1333 HydrophobicContact CD2-CB 3.88Å; F1199-H1333 HydrophobicContact CG-CB 3.6Å; F1199-F1342 HydrophobicContact CD1-CD1 4.25Å; F1199-F1342 AromaticContact CD1-CE1 3.79Å; F1199-F1342 HydrophobicContact CD1-CE1 3.79Å; F1199-F1342 HydrophobicContact CE1-CE1 4.17Å; F1199-Y1375 AromaticContact CD2-CD2 3.68Å; F1199-Y1375 HydrophobicContact CD2-CD2 3.68Å; F1199-Y1375 AromaticContact CD2-CG 3.97Å; F1199-Y1375 HydrophobicContact CD2-CG 3.97Å; F1199-Y1375 HydrophobicContact CE1-CG 4.4Å; F1199-Y1375 HydrophobicContact CE2-CD1 4.06Å; F1199-Y1375 AromaticContact CE2-CD2 3.28Å; F1199-Y1375 HydrophobicContact CE2-CD2 3.28Å; F1199-Y1375 AromaticContact CE2-CE2 3.92Å; F1199-Y1375 HydrophobicContact CE2-CE2 3.92Å; F1199-Y1375 AromaticContact CE2-CG 3.36Å; F1199-Y1375 HydrophobicContact CE2-CG 3.36Å; F1199-Y1375 HydrophobicContact CZ-CD1 4.02Å; F1199-Y1375 HydrophobicContact CZ-CD2 4.05Å; F1199-Y1375 AromaticContact CZ-CG 3.62Å; F1199-Y1375 HydrophobicContact CZ-CG 3.62Å; F1199-Y1375 PolarHBondContact N-O 3.39Å; F1199-Y1375 PolarHBondContact O-N 3.14Å; F1199-V1378 VanDerWaalsContact N-CG2 3.31Å |
| 1200 | V | 88.5 | Confident | 59.4 | Low | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 132.8 | 178.9 | -169.1 | 0 | 0 | 0 | 0 | 111.4 | F1173 F1202 W1330 L1331 A1361 V1372 R1374 V1378 | F1173-V1200 HydrophobicContact CZ-CG2 4.46Å; V1200-F1202 HydrophobicContact CB-CE2 4.03Å; V1200-F1202 HydrophobicContact CB-CZ 4.33Å; V1200-F1202 HydrophobicContact CG1-CD2 4.3Å; V1200-F1202 HydrophobicContact CG1-CE1 4.34Å; V1200-F1202 HydrophobicContact CG1-CE2 3.71Å; V1200-F1202 HydrophobicContact CG1-CZ 3.73Å; V1200-W1330 CarbonylContact O-C 3.45Å; V1200-W1330 WeakPolarHBondContact O-CA 3.37Å; V1200-L1331 HydrophobicContact CB-CB 4.41Å; V1200-L1331 PolarHBondContact N-O 2.86Å; V1200-L1331 PolarHBondContact O-N 3.5Å; V1200-A1361 HydrophobicContact CG1-CB 3.91Å; V1200-A1361 HydrophobicContact CG2-CB 4.32Å; V1200-V1372 HydrophobicContact CG1-CG1 3.75Å; V1200-R1374 HydrophobicContact CG1-CG 4.28Å; V1200-R1374 HydrophobicContact CG2-CG 4.39Å; V1200-V1378 HydrophobicContact CG2-CB 4.3Å; V1200-V1378 HydrophobicContact CG2-CG1 3.82Å; V1200-V1378 HydrophobicContact CG2-CG2 4.22Å |
| 1201 | Q | 89.4 | Confident | 60.6 | Low | 26 Ų | 26 | 68.1 Ų | 68.1 | 12% | 0.121 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 143.7 | 170.6 | -168.3 | -171.6 | 24.2 | 0 | 0 | 110.4 | Y1328 L1329 W1330 T1373 Y1375 | Q1201-Y1328 HydrophobicContact CG-CD1 4.48Å; Q1201-Y1328 VanDerWaalsContact NE2-CD1 3.31Å; Q1201-L1329 CarbonylContact C-O 3.57Å; Q1201-L1329 WeakPolarHBondContact CA-O 3.5Å; Q1201-W1330 HydrophobicContact CB-CD2 4.26Å; Q1201-W1330 HydrophobicContact CB-CE3 3.78Å; Q1201-W1330 HydrophobicContact CB-CH2 4.48Å; Q1201-W1330 HydrophobicContact CB-CZ3 3.89Å; Q1201-W1330 HydrophobicContact CG-CD2 3.85Å; Q1201-W1330 HydrophobicContact CG-CE3 3.79Å; Q1201-W1330 HydrophobicContact CG-CH2 3.97Å; Q1201-W1330 HydrophobicContact CG-CZ2 4.02Å; Q1201-W1330 HydrophobicContact CG-CZ3 3.84Å; Q1201-W1330 VanDerWaalsContact NE2-CH2 3.32Å; Q1201-T1373 PolarHBondContact N-O 3Å; Q1201-T1373 PolarHBondContact O-N 3.22Å; Q1201-Y1375 HydrophobicContact CB-CE2 3.95Å; Q1201-Y1375 PolarHBondContact OE1-OH 2.81Å |
| 1202 | F | 89.6 | Confident | 62.1 | Low | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 120.9 | 171.8 | -51.1 | -105.1 | 0 | 0 | 0 | 107.9 | V1200 Y1328 L1329 L1331 L1357 L1360 A1361 V1370 K1371 V1372 | V1200-F1202 HydrophobicContact CB-CE2 4.03Å; V1200-F1202 HydrophobicContact CB-CZ 4.33Å; V1200-F1202 HydrophobicContact CG1-CD2 4.3Å; V1200-F1202 HydrophobicContact CG1-CE1 4.34Å; V1200-F1202 HydrophobicContact CG1-CE2 3.71Å; V1200-F1202 HydrophobicContact CG1-CZ 3.73Å; F1202-Y1328 WeakPolarHBondContact O-CA 2.93Å; F1202-L1329 HydrophobicContact CB-CB 4.34Å; F1202-L1329 HydrophobicContact CD2-CD2 3.45Å; F1202-L1329 VanDerWaalsContact CD2-CD2 3.45Å; F1202-L1329 HydrophobicContact CE2-CD2 3.88Å; F1202-L1329 HydrophobicContact CG-CD2 4.22Å; F1202-L1329 PolarHBondContact N-O 2.9Å; F1202-L1329 PolarHBondContact O-N 3.42Å; F1202-L1331 HydrophobicContact CE2-CB 4.1Å; F1202-L1357 HydrophobicContact CD1-CD2 3.89Å; F1202-L1357 HydrophobicContact CD2-CD2 4.23Å; F1202-L1357 HydrophobicContact CE1-CB 4.12Å; F1202-L1357 HydrophobicContact CE1-CD2 3.85Å; F1202-L1357 WeakPolarHBondContact CE1-O 3.2Å; F1202-L1357 HydrophobicContact CE2-CB 4.28Å; F1202-L1357 HydrophobicContact CE2-CD2 4.19Å; F1202-L1357 HydrophobicContact CG-CD2 4.09Å; F1202-L1357 HydrophobicContact CZ-CB 3.72Å; F1202-L1357 HydrophobicContact CZ-CD2 3.99Å; F1202-L1357 HydrophobicContact CZ-CG 4.38Å; F1202-L1357 WeakPolarHBondContact CZ-O 3.45Å; F1202-L1360 HydrophobicContact CD1-CB 4.41Å; F1202-L1360 HydrophobicContact CE1-CB 3.94Å; F1202-A1361 HydrophobicContact CE1-CB 4Å; F1202-A1361 HydrophobicContact CZ-CB 3.74Å; F1202-V1370 HydrophobicContact CB-CG1 4.3Å; F1202-V1370 HydrophobicContact CD1-CG1 4.42Å; F1202-K1371 WeakPolarHBondContact CA-O 3.21Å; F1202-V1372 HydrophobicContact CD1-CG1 4.1Å; F1202-V1372 HydrophobicContact CD1-CG2 3.94Å; F1202-V1372 HydrophobicContact CE1-CG1 4Å; F1202-V1372 HydrophobicContact CE1-CG2 4.26Å |
| 1203 | Q | 86.2 | Confident | 64 | Low | 39 Ų | 39 | 69.9 Ų | 69.9 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 117.2 | 171 | 171.2 | 173 | -54.9 | 0 | 0 | 108.3 | E1205 Y1328 V1370 K1371 | Q1203-E1205 HydrophobicContact CG-CG 4.31Å; Q1203-E1205 PolarHBondContact NE2-OE1 3.36Å; Q1203-Y1328 HydrophobicContact CB-CD1 3.98Å; Q1203-Y1328 HydrophobicContact CB-CE1 3.66Å; Q1203-Y1328 HydrophobicContact CG-CD1 4.34Å; Q1203-Y1328 HydrophobicContact CG-CE1 3.68Å; Q1203-Y1328 PolarHBondContact OE1-OH 3.23Å; Q1203-V1370 CarbonylContact O-C 3.29Å; Q1203-V1370 WeakPolarHBondContact O-CA 3.32Å; Q1203-K1371 HydrophobicContact CB-CB 4.27Å; Q1203-K1371 PolarHBondContact N-O 3.11Å; Q1203-K1371 PolarHBondContact O-N 3.01Å |
| 1204 | I | 79.8 | Confident | 66.2 | Low | 16 Ų | 16 | 66 Ų | 66 | 8% | 0.082 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121 | 175.2 | -47.5 | 175.8 | 0 | 0 | 0 | 108.1 | N1207 T1326 R1327 L1355 F1369 | I1204-N1207 HydrophobicContact CB-CB 4.43Å; I1204-N1207 HydrophobicContact CG2-CB 3.79Å; I1204-T1326 HydrophobicContact CD1-CG2 4.29Å; I1204-R1327 PolarHBondContact N-O 3.35Å; I1204-L1355 HydrophobicContact CD1-CD1 3.73Å; I1204-L1355 HydrophobicContact CG1-CD1 4.35Å; I1204-F1369 HydrophobicContact CG2-CD2 4.07Å; I1204-F1369 HydrophobicContact CG2-CE2 4.49Å |
| 1205 | E | 69.1 | Low | 68.3 | Low | 75 Ų | 75 | 61.5 Ų | 61.5 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -92.6 | 150 | 177.9 | -51.4 | -156.3 | 154.8 | 0 | 0 | 110.5 | Q1203 N1207 F1369 | Q1203-E1205 HydrophobicContact CG-CG 4.31Å; Q1203-E1205 PolarHBondContact NE2-OE1 3.36Å; E1205-N1207 PolarHBondContact O-N 3.17Å; E1205-F1369 PolarHBondContact N-O 3.2Å |
| 1206 | H | 60.8 | Low | 70.6 | Confident | 169 Ų | 169 | 55 Ų | 55 | 78% | 0.782 | 27% | 0.265 | S | S | * | . | S | Bend | trans | 58.4 | 15.3 | 178 | -52.8 | 92.8 | 0 | 0 | 0 | 116.8 | D1208 | H1206-D1208 VanDerWaalsContact C-N 3.27Å; H1206-D1208 PolarHBondContact O-N 2.94Å |
| 1207 | N | 54.9 | Low | 72.7 | Confident | 41 Ų | 41 | 49.9 Ų | 49.9 | 22% | 0.219 | 25% | 0.245 | C | C | . | . | trans | -77.5 | 72.2 | 175.8 | -168.1 | 26.6 | 0 | 0 | 0 | 112.5 | I1204 E1205 L1209 K1325 T1326 | I1204-N1207 HydrophobicContact CB-CB 4.43Å; I1204-N1207 HydrophobicContact CG2-CB 3.79Å; E1205-N1207 PolarHBondContact O-N 3.17Å; N1207-L1209 VanDerWaalsContact C-N 3.26Å; N1207-K1325 WeakPolarHBondContact O-CE 2.95Å; N1207-T1326 PolarHBondContact ND2-O 2.92Å | ||
| 1208 | D | 49.7 | Very low | 74.5 | Confident | 114 Ų | 114 | 48.3 Ų | 48.3 | 61% | 0.61 | 24% | 0.236 | S | C | * | . | trans | -81 | -2.8 | 173.9 | -77.9 | -43.1 | 0 | 0 | 0 | 113.9 | H1206 Y1210 K1325 | H1206-D1208 VanDerWaalsContact C-N 3.27Å; H1206-D1208 PolarHBondContact O-N 2.94Å; D1208-Y1210 PolarHBondContact O-N 3.08Å; D1208-K1325 IonicContact OD1-NZ 3.91Å; D1208-K1325 PolarHBondContact OD1-NZ 2.88Å | ||
| 1209 | L | 46.8 | Very low | 75.6 | Confident | 137 Ų | 137 | 48.3 Ų | 48.3 | 72% | 0.717 | 24% | 0.235 | S | C | * | . | trans | -80.4 | 114.2 | 178 | -68 | 177.2 | 0 | 0 | 0 | 111.9 | N1207 | N1207-L1209 VanDerWaalsContact C-N 3.26Š| ||
| 1210 | Y | 55 | Low | 75.9 | Confident | 141 Ų | 141 | 47.8 Ų | 47.8 | 55% | 0.553 | 23% | 0.233 | S | C | * | . | trans | -73.2 | 124.9 | 175.9 | -86.8 | -65.7 | 0 | 0 | 0 | 112.1 | D1208 L1323 K1325 | D1208-Y1210 PolarHBondContact O-N 3.08Å; Y1210-L1323 HydrophobicContact CD1-CB 3.53Å; Y1210-L1323 HydrophobicContact CD1-CD1 4.34Å; Y1210-L1323 HydrophobicContact CG-CB 3.9Å; Y1210-L1323 HydrophobicContact CG-CD1 4.1Å; Y1210-L1323 HydrophobicContact CG-CG 4.49Å; Y1210-K1325 HydrophobicContact CD1-CB 3.99Å; Y1210-K1325 HydrophobicContact CE1-CB 4.04Å; Y1210-K1325 HydrophobicContact CE1-CD 4.17Å | ||
| 1211 | I | 59.1 | Low | 76.1 | Confident | 36 Ų | 36 | 48.1 Ų | 48.1 | 19% | 0.185 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -103.1 | 123.9 | -167.5 | -53 | -178.1 | 0 | 0 | 0 | 112.8 | N1213 R1298 L1324 | I1211-N1213 WeakPolarHBondContact CG2-O 3.46Å; I1211-R1298 PolarHBondContact O-NH2 2.78Å; I1211-L1324 VanDerWaalsContact CB-O 3.3Å; I1211-L1324 WeakPolarHBondContact CB-O 3.49Å; I1211-L1324 PolarHBondContact N-O 3.48Å; I1211-L1324 PolarHBondContact O-N 2.9Å |
| 1212 | I | 63.6 | Low | 76.1 | Confident | 74 Ų | 74 | 47.1 Ų | 47.1 | 38% | 0.379 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -87.5 | -31.5 | 176.5 | -56.5 | 174 | 0 | 0 | 0 | 112.2 | R1298 R1300 L1323 | I1212-R1298 PolarHBondContact O-NH1 2.87Å; I1212-R1298 PolarHBondContact O-NH2 3.27Å; I1212-R1300 HydrophobicContact CG2-CB 4.48Å; I1212-R1300 HydrophobicContact CG2-CG 3.47Å; I1212-R1300 VanDerWaalsContact CG2-CG 3.47Å; I1212-R1300 PolarHBondContact O-N 3.1Å; I1212-L1323 HydrophobicContact CB-CD2 4.46Å; I1212-L1323 HydrophobicContact CD1-CD2 4.15Å; I1212-L1323 HydrophobicContact CG1-CD2 3.3Å |
| 1213 | N | 70.8 | Confident | 75.7 | Confident | 79 Ų | 79 | 48.8 Ų | 48.8 | 42% | 0.422 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 124.5 | -173.6 | -56.1 | -18.4 | 0 | 0 | 0 | 110 | I1211 R1298 S1299 | I1211-N1213 WeakPolarHBondContact CG2-O 3.46Å; N1213-R1298 CarbonylContact C-O 3.55Å; N1213-R1298 WeakPolarHBondContact CA-O 3.36Å; N1213-S1299 WeakPolarHBondContact OD1-CA 3.37Å; N1213-S1299 PolarHBondContact OD1-OG 3.02Å |
| 1214 | D | 77.3 | Confident | 74.7 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 136.4 | 175.7 | -63.1 | -74 | 0 | 0 | 0 | 110.4 | I1297 R1298 L1324 Y1352 N1353 | D1214-I1297 CarbonylContact O-C 3.5Å; D1214-I1297 WeakPolarHBondContact O-CA 3.26Å; D1214-R1298 HydrophobicContact CB-CB 4.25Å; D1214-R1298 PolarHBondContact N-O 2.91Å; D1214-R1298 PolarHBondContact O-N 2.91Å; D1214-R1298 IonicContact OD2-CZ 2.76Å; D1214-R1298 IonicContact OD2-NE 2.74Å; D1214-R1298 PolarHBondContact OD2-NE 2.94Å; D1214-R1298 IonicContact OD2-NH2 3.64Å; D1214-R1298 PolarHBondContact OD2-NH2 3.44Å; D1214-L1324 WeakPolarHBondContact OD2-CD1 3.45Å; D1214-Y1352 PolarHBondContact OD1-OH 2.95Å; D1214-N1353 VanDerWaalsContact CA-OD1 3.31Å; D1214-N1353 WeakPolarHBondContact CA-OD1 3.16Å; D1214-N1353 PolarHBondContact OD1-ND2 3.39Å |
| 1215 | I | 85.6 | Confident | 73.8 | Confident | 54 Ų | 54 | 56 Ų | 56 | 28% | 0.277 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 123.5 | 178.2 | -56.9 | 179.2 | 0 | 0 | 0 | 108.6 | L1156 G1296 I1297 Y1351 Y1352 N1353 | L1156-I1215 HydrophobicContact CD1-CG2 4.21Å; L1156-I1215 HydrophobicContact CD2-CG2 3.44Å; L1156-I1215 VanDerWaalsContact CD2-CG2 3.44Å; L1156-I1215 HydrophobicContact CG-CG2 4.49Å; I1215-G1296 WeakPolarHBondContact CA-O 3.36Å; I1215-I1297 HydrophobicContact CG1-CG1 4.42Å; I1215-I1297 HydrophobicContact CG1-CG2 4.33Å; I1215-I1297 HydrophobicContact CG2-CG1 4.27Å; I1215-Y1351 HydrophobicContact CG2-CE1 4.32Å; I1215-Y1352 WeakPolarHBondContact O-CA 3.27Å; I1215-N1353 PolarHBondContact N-OD1 2.92Å; I1215-N1353 PolarHBondContact O-N 3.46Å; I1215-N1353 PolarHBondContact O-OD1 2.85Å |
| 1216 | F | 91.3 | Very high | 72.5 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 152.8 | 176.7 | 69.6 | -97.5 | 0 | 0 | 0 | 112.4 | I1218 L1244 V1259 M1268 I1294 G1296 L1305 Y1351 Y1352 | F1216-I1218 HydrophobicContact CD2-CD1 4.34Å; F1216-I1218 HydrophobicContact CD2-CG1 4.25Å; F1216-L1244 HydrophobicContact CB-CD2 3.96Å; F1216-L1244 HydrophobicContact CD2-CD2 4.43Å; F1216-L1244 HydrophobicContact CG-CD2 4.13Å; F1216-V1259 HydrophobicContact CD1-CG2 4.47Å; F1216-V1259 HydrophobicContact CE1-CG2 3.8Å; F1216-V1259 HydrophobicContact CE2-CG1 3.9Å; F1216-V1259 HydrophobicContact CE2-CG2 3.96Å; F1216-V1259 HydrophobicContact CZ-CB 4.37Å; F1216-V1259 HydrophobicContact CZ-CG1 3.9Å; F1216-V1259 HydrophobicContact CZ-CG2 3.51Å; F1216-M1268 HydrophobicContact CE1-CE 4.21Å; F1216-M1268 HydrophobicContact CE1-SD 4.31Å; F1216-I1294 HydrophobicContact CE2-CG2 4.14Å; F1216-G1296 PolarHBondContact N-O 2.84Å; F1216-G1296 PolarHBondContact O-N 3.3Å; F1216-L1305 HydrophobicContact CZ-CD2 3.96Å; F1216-Y1351 CarbonylContact C-O 3.56Å; F1216-Y1351 VanDerWaalsContact CA-O 3.24Å; F1216-Y1351 WeakPolarHBondContact CA-O 3.41Å; F1216-Y1352 HydrophobicContact CB-CD2 4.01Å |
| 1217 | T | 93.6 | Very high | 71.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 136.1 | 171.8 | -41.6 | 0 | 0 | 0 | 0 | 109.7 | T1158 R1293 I1294 R1295 V1350 Y1351 | T1158-T1217 HydrophobicContact CG2-CG2 3.55Å; T1217-R1293 HydrophobicContact CG2-CG 3.84Å; T1217-I1294 CarbonylContact C-O 3.57Å; T1217-I1294 VanDerWaalsContact CA-O 3.27Å; T1217-I1294 WeakPolarHBondContact CA-O 3.2Å; T1217-I1294 VanDerWaalsContact CG2-O 3.26Å; T1217-I1294 WeakPolarHBondContact CG2-O 3.45Å; T1217-R1295 HydrophobicContact CG2-CB 4.05Å; T1217-R1295 HydrophobicContact CG2-CG 4.29Å; T1217-V1350 WeakPolarHBondContact O-CA 3.44Å; T1217-Y1351 PolarHBondContact N-O 2.94Å; T1217-Y1351 PolarHBondContact O-N 2.87Å |
| 1218 | I | 95.8 | Very high | 70.5 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 122.2 | -173.4 | -42.4 | -179.3 | 0 | 0 | 0 | 108.4 | T1158 F1216 L1220 L1243 L1244 I1294 V1347 V1350 | T1158-I1218 VanDerWaalsContact CG2-C 3.45Å; F1216-I1218 HydrophobicContact CD2-CD1 4.34Å; F1216-I1218 HydrophobicContact CD2-CG1 4.25Å; I1218-L1220 HydrophobicContact CG2-CD1 4.11Å; I1218-L1220 HydrophobicContact CG2-CD2 4.08Å; I1218-L1220 HydrophobicContact CG2-CG 3.88Å; I1218-L1243 HydrophobicContact CD1-CB 4.02Å; I1218-L1244 HydrophobicContact CD1-CB 3.89Å; I1218-I1294 PolarHBondContact N-O 3.45Å; I1218-I1294 PolarHBondContact O-N 2.87Å; I1218-V1347 HydrophobicContact CG2-CG1 3.88Å; I1218-V1350 HydrophobicContact CG1-CG1 4.32Å; I1218-V1350 HydrophobicContact CG2-CG2 3.92Å |
| 1219 | G | 94.6 | Very high | 69.8 | Low | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 131.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y1291 V1347 T1348 | G1219-Y1291 WeakPolarHBondContact CA-OH 3.19Å; G1219-V1347 CarbonylContact O-C 3.42Å; G1219-V1347 WeakPolarHBondContact O-CA 3.26Å; G1219-T1348 WeakPolarHBondContact CA-O 3.49Å; G1219-T1348 PolarHBondContact N-O 2.91Å; G1219-T1348 PolarHBondContact O-N 2.82Å |
| 1220 | L | 93.3 | Very high | 69.4 | Low | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 138.5 | -170.3 | -71.2 | 163.4 | 0 | 0 | 0 | 111.5 | I1218 L1222 L1243 Y1291 H1292 I1294 V1347 | I1218-L1220 HydrophobicContact CG2-CD1 4.11Å; I1218-L1220 HydrophobicContact CG2-CD2 4.08Å; I1218-L1220 HydrophobicContact CG2-CG 3.88Å; L1220-L1222 HydrophobicContact CD2-CD2 4.47Å; L1220-L1243 HydrophobicContact CD1-CD1 3.7Å; L1220-L1243 HydrophobicContact CD1-CD2 3.68Å; L1220-L1243 HydrophobicContact CD1-CG 4.3Å; L1220-L1243 HydrophobicContact CD2-CD2 4.1Å; L1220-Y1291 WeakPolarHBondContact O-CA 3.43Å; L1220-Y1291 WeakPolarHBondContact O-CD2 3.3Å; L1220-H1292 PolarHBondContact N-O 3.06Å; L1220-H1292 PolarHBondContact O-N 3.33Å; L1220-I1294 HydrophobicContact CD1-CD1 3.65Å; L1220-I1294 HydrophobicContact CD1-CG1 4.23Å; L1220-V1347 HydrophobicContact CD2-CB 4.38Å; L1220-V1347 HydrophobicContact CD2-CG1 4.08Å; L1220-V1347 HydrophobicContact CD2-CG2 3.92Å |
| 1221 | Q | 92.4 | Very high | 68.7 | Low | 6 Ų | 6 | 63.3 Ų | 63.3 | 3% | 0.028 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 94.6 | 165.6 | -174.9 | -177.7 | -68.5 | 0 | 0 | 108 | Y1291 Y1346 F1384 | Q1221-Y1291 HydrophobicContact CB-CD2 4.2Å; Q1221-Y1346 PolarHBondContact N-O 3.13Å; Q1221-Y1346 PolarHBondContact O-N 3.43Å; Q1221-F1384 HydrophobicContact CB-CE2 4.38Å; Q1221-F1384 HydrophobicContact CB-CZ 4.07Å |
| 1222 | L | 88.9 | Confident | 67.9 | Low | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 155.8 | -175.8 | -60.3 | 178.8 | 0 | 0 | 0 | 111.8 | L1220 I1241 L1261 Q1287 I1343 Q1344 | L1220-L1222 HydrophobicContact CD2-CD2 4.47Å; L1222-I1241 HydrophobicContact CD1-CD1 4.25Å; L1222-L1261 HydrophobicContact CD1-CD1 3.59Å; L1222-Q1287 HydrophobicContact CB-CG 4.27Å; L1222-Q1287 HydrophobicContact CD1-CB 4.29Å; L1222-Q1287 HydrophobicContact CD1-CG 4.11Å; L1222-I1343 HydrophobicContact CD2-CG2 3.82Å; L1222-Q1344 WeakPolarHBondContact CA-O 3.44Å |
| 1223 | D | 80.8 | Confident | 66.7 | Low | 36 Ų | 36 | 71.5 Ų | 71.5 | 19% | 0.193 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 138.2 | 167 | -79.6 | -27.3 | 0 | 0 | 0 | 111.2 | I1176 K1225 Q1344 | I1176-D1223 WeakPolarHBondContact CD1-OD2 3.36Å; I1176-D1223 WeakPolarHBondContact CG1-OD2 3.37Å; D1223-K1225 PolarHBondContact O-N 3.24Å; D1223-Q1344 HydrophobicContact CB-CG 4.45Å; D1223-Q1344 PolarHBondContact N-O 2.81Å; D1223-Q1344 PolarHBondContact OD2-NE2 3.4Å |
| 1224 | I | 66.4 | Low | 65.1 | Low | 102 Ų | 102 | 75.4 Ų | 75.4 | 52% | 0.523 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 118.4 | 173 | -55.2 | 175.5 | 0 | 0 | 0 | 107.9 | M1226 D1288 | I1224-M1226 VanDerWaalsContact C-N 3.3Å; I1224-M1226 PolarHBondContact O-N 2.94Å; I1224-D1288 WeakPolarHBondContact CD1-O 3.46Å |
| 1225 | K | 59.1 | Low | 63.2 | Low | 104 Ų | 104 | 78.4 Ų | 78.4 | 45% | 0.452 | 40% | 0.402 | S | S | . | . | trans | -63.1 | 91 | 168.7 | -88.6 | -176 | 174.6 | -178.8 | 0 | 109 | D1223 L1227 D1239 D1341 | D1223-K1225 PolarHBondContact O-N 3.24Å; K1225-L1227 PolarHBondContact O-N 2.72Å; K1225-D1239 IonicContact NZ-OD2 3.71Å; K1225-D1239 PolarHBondContact NZ-OD2 2.89Å; K1225-D1341 WeakPolarHBondContact CE-OD2 3.39Å; K1225-D1341 IonicContact NZ-OD2 3.24Å; K1225-D1341 PolarHBondContact NZ-OD2 3.17Å | ||
| 1226 | M | 43.1 | Very low | 60.9 | Low | 131 Ų | 131 | 85 Ų | 85 | 65% | 0.645 | 44% | 0.435 | S | S | * | . | trans | -58.4 | 106.5 | 171 | -83.5 | -77.9 | -74.1 | 0 | 0 | 109.5 | I1224 H1228 | I1224-M1226 VanDerWaalsContact C-N 3.3Å; I1224-M1226 PolarHBondContact O-N 2.94Å; M1226-H1228 VanDerWaalsContact C-N 3.28Å; M1226-H1228 WeakPolarHBondContact CE-NE2 3.28Å; M1226-H1228 PolarHBondContact O-N 2.58Å | ||
| 1227 | L | 38.6 | Very low | 58.7 | Low | 160 Ų | 160 | 90.7 Ų | 90.7 | 84% | 0.838 | 47% | 0.465 | S | S | * | . | trans | -68.6 | 87.3 | 174.4 | -86.4 | 132.2 | 0 | 0 | 0 | 110 | K1225 | K1225-L1227 PolarHBondContact O-N 2.72Š| ||
| 1228 | H | 34.2 | Very low | 56.7 | Low | 148 Ų | 148 | 95.3 Ų | 95.3 | 69% | 0.685 | 49% | 0.49 | S | S | * | . | trans | -116 | 35.5 | 177.9 | -89.6 | 10.3 | 0 | 0 | 0 | 112.6 | M1226 | M1226-H1228 VanDerWaalsContact C-N 3.28Å; M1226-H1228 WeakPolarHBondContact CE-NE2 3.28Å; M1226-H1228 PolarHBondContact O-N 2.58Å | ||
| 1229 | H | 35.4 | Very low | 55.2 | Low | 149 Ų | 149 | 99.7 Ų | 99.7 | 69% | 0.69 | 51% | 0.513 | S | S | * | . | trans | -154 | 129.9 | 154.9 | -96.7 | 18.4 | 0 | 0 | 0 | 109.2 | ||||
| 1230 | P | 38.1 | Very low | 54.4 | Low | 104 Ų | 104 | 101.4 Ų | 101.4 | 68% | 0.675 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -80.8 | -16.9 | 177.6 | 32.4 | -33.8 | 0 | 0 | 0 | 113.5 | K1232 | P1230-K1232 VanDerWaalsContact C-N 3.28Å; P1230-K1232 PolarHBondContact O-N 3.48Å; P1230-K1232 VanDerWaalsContact O-N 3.17Å |
| 1231 | D | 41.3 | Very low | 54 | Low | 138 Ų | 138 | 101.9 Ų | 101.9 | 74% | 0.738 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 6.1 | -162.8 | -53.8 | -48.9 | 0 | 0 | 0 | 115.4 | ||
| 1232 | K | 41.4 | Very low | 53.9 | Low | 125 Ų | 125 | 101.6 Ų | 101.6 | 54% | 0.543 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 20.7 | -176.8 | -128.7 | -175.9 | -173.1 | -173.3 | 0 | 115 | H1182 P1230 N1234 | H1182-K1232 VanDerWaalsContact NE2-CE 3.33Å; H1182-K1232 WeakPolarHBondContact NE2-CE 3.34Å; H1182-K1232 PolarHBondContact NE2-NZ 3.43Å; P1230-K1232 VanDerWaalsContact C-N 3.28Å; P1230-K1232 PolarHBondContact O-N 3.48Å; P1230-K1232 VanDerWaalsContact O-N 3.17Å; K1232-N1234 PolarHBondContact O-N 2.84Å |
| 1233 | L | 38.3 | Very low | 54 | Low | 157 Ų | 157 | 101.4 Ų | 101.4 | 82% | 0.822 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -7.5 | -175.1 | -132.6 | 83.7 | 0 | 0 | 0 | 115.8 | ||
| 1234 | N | 37.3 | Very low | 54.5 | Low | 162 Ų | 162 | 99.7 Ų | 99.7 | 87% | 0.866 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | 8.9 | -165.1 | -74.4 | -8.3 | 0 | 0 | 0 | 115.9 | K1232 | K1232-N1234 PolarHBondContact O-N 2.84Š|
| 1235 | S | 38.6 | Very low | 55.6 | Low | 63 Ų | 63 | 94.9 Ų | 94.9 | 44% | 0.441 | 49% | 0.487 | S | S | . | . | trans | -108.3 | 100.6 | 173.7 | 55 | 0 | 0 | 0 | 0 | 111.2 | D1237 | S1235-D1237 PolarHBondContact O-N 3.33Š| ||
| 1236 | M | 37.3 | Very low | 57 | Low | 193 Ų | 193 | 89.9 Ų | 89.9 | 95% | 0.951 | 47% | 0.465 | S | S | * | . | trans | -79.3 | 59.6 | 167.7 | -81.4 | -168.2 | 157 | 0 | 0 | 111.2 | ||||
| 1237 | D | 45.1 | Very low | 58.9 | Low | 120 Ų | 120 | 84 Ų | 84 | 64% | 0.642 | 44% | 0.436 | S | S | * | . | trans | -91.6 | 134.2 | 160.1 | -71.2 | -52 | 0 | 0 | 0 | 107.8 | S1235 D1239 | S1235-D1237 PolarHBondContact O-N 3.33Å; D1237-D1239 PolarHBondContact O-N 3.16Å | ||
| 1238 | N | 51.1 | Low | 60.5 | Low | 97 Ų | 97 | 77.1 Ų | 77.1 | 52% | 0.519 | 40% | 0.4 | S | S | . | . | trans | -78.4 | 85.3 | -174.7 | -72.1 | -0.7 | 0 | 0 | 0 | 111 | F1240 E1262 | N1238-F1240 WeakPolarHBondContact O-CD1 3.17Å; N1238-F1240 PolarHBondContact O-N 3.32Å; N1238-E1262 PolarHBondContact ND2-OE1 2.87Å | ||
| 1239 | D | 63.3 | Low | 61.8 | Low | 94 Ų | 94 | 75.5 Ų | 75.5 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | trans | -58 | 107.1 | 167.9 | -87 | 11.3 | 0 | 0 | 0 | 110.1 | K1225 D1237 | K1225-D1239 IonicContact NZ-OD2 3.71Å; K1225-D1239 PolarHBondContact NZ-OD2 2.89Å; D1237-D1239 PolarHBondContact O-N 3.16Å | ||
| 1240 | F | 77.9 | Confident | 62.5 | Low | 35 Ų | 35 | 74.2 Ų | 74.2 | 15% | 0.154 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138.3 | 171 | 63.9 | -97.7 | 0 | 0 | 0 | 112.6 | N1238 H1258 Y1260 L1261 E1262 S1340 D1341 | N1238-F1240 WeakPolarHBondContact O-CD1 3.17Å; N1238-F1240 PolarHBondContact O-N 3.32Å; F1240-H1258 AromaticContact CE2-CE1 3.71Å; F1240-Y1260 HydrophobicContact CB-CD2 3.87Å; F1240-Y1260 HydrophobicContact CB-CE2 4.47Å; F1240-Y1260 HydrophobicContact CD2-CD2 4.14Å; F1240-Y1260 HydrophobicContact CD2-CG 4.31Å; F1240-Y1260 HydrophobicContact CG-CD2 4.13Å; F1240-L1261 CarbonylContact C-O 3.58Å; F1240-L1261 WeakPolarHBondContact CA-O 3.45Å; F1240-L1261 WeakPolarHBondContact CB-O 3.2Å; F1240-E1262 HydrophobicContact CB-CB 4.4Å; F1240-S1340 VanDerWaalsContact CE2-CB 3.41Å; F1240-S1340 CarbonylContact O-C 3.44Å; F1240-S1340 WeakPolarHBondContact O-CA 3.1Å; F1240-S1340 WeakPolarHBondContact O-CB 3.38Å; F1240-D1341 PolarHBondContact O-N 3.16Å |
| 1241 | I | 86.3 | Confident | 62.9 | Low | 11 Ų | 11 | 77.4 Ų | 77.4 | 6% | 0.056 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 120.2 | 178.4 | -58.6 | 167.4 | 0 | 0 | 0 | 108.6 | L1222 L1243 Y1260 L1261 D1341 I1343 | L1222-I1241 HydrophobicContact CD1-CD1 4.25Å; I1241-L1243 HydrophobicContact CG2-CD2 4.4Å; I1241-L1243 PolarHBondContact O-N 2.91Å; I1241-Y1260 CarbonylContact O-C 3.5Å; I1241-Y1260 WeakPolarHBondContact O-CA 3.45Å; I1241-Y1260 VanDerWaalsContact O-CB 3.31Å; I1241-Y1260 WeakPolarHBondContact O-CB 3.37Å; I1241-L1261 HydrophobicContact CB-CB 4.37Å; I1241-L1261 PolarHBondContact N-O 3.03Å; I1241-L1261 PolarHBondContact O-N 3.19Å; I1241-D1341 WeakPolarHBondContact CA-O 3.47Å; I1241-D1341 HydrophobicContact CG1-CB 4.02Å; I1241-I1343 HydrophobicContact CG2-CG1 3.87Å |
| 1242 | T | 88.8 | Confident | 63.4 | Low | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 124.7 | 172.8 | -64.4 | 0 | 0 | 0 | 0 | 110.2 | F1245 H1258 G1332 H1333 S1340 D1341 | T1242-F1245 HydrophobicContact CG2-CB 4.23Å; T1242-H1258 PolarHBondContact OG1-NE2 3.01Å; T1242-G1332 CarbonylContact O-C 3.54Å; T1242-G1332 WeakPolarHBondContact O-CA 3.43Å; T1242-H1333 VanDerWaalsContact CG2-C 3.47Å; T1242-H1333 WeakPolarHBondContact CG2-O 3.37Å; T1242-S1340 VanDerWaalsContact OG1-CB 3.23Å; T1242-S1340 WeakPolarHBondContact OG1-CB 3.48Å; T1242-S1340 PolarHBondContact OG1-OG 3.36Å; T1242-D1341 PolarHBondContact N-O 2.76Å |
| 1243 | L | 92 | Very high | 64 | Low | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -58.3 | 173.6 | -59.7 | 179.1 | 0 | 0 | 0 | 110.9 | I1218 L1220 I1241 V1259 L1261 I1294 G1332 I1343 | I1218-L1243 HydrophobicContact CD1-CB 4.02Å; L1220-L1243 HydrophobicContact CD1-CD1 3.7Å; L1220-L1243 HydrophobicContact CD1-CD2 3.68Å; L1220-L1243 HydrophobicContact CD1-CG 4.3Å; L1220-L1243 HydrophobicContact CD2-CD2 4.1Å; I1241-L1243 HydrophobicContact CG2-CD2 4.4Å; I1241-L1243 PolarHBondContact O-N 2.91Å; L1243-V1259 WeakPolarHBondContact CB-O 3.4Å; L1243-V1259 HydrophobicContact CD1-CG1 4.45Å; L1243-V1259 PolarHBondContact N-O 3.16Å; L1243-L1261 HydrophobicContact CD1-CD1 4.47Å; L1243-L1261 HydrophobicContact CD1-CD2 3.83Å; L1243-L1261 HydrophobicContact CD1-CG 3.86Å; L1243-L1261 HydrophobicContact CD2-CD1 4.28Å; L1243-L1261 HydrophobicContact CD2-CG 4.23Å; L1243-L1261 HydrophobicContact CG-CG 4.13Å; L1243-I1294 HydrophobicContact CD1-CD1 3.66Å; L1243-G1332 PolarHBondContact O-N 3.46Å; L1243-I1343 HydrophobicContact CD2-CD1 4.19Å; L1243-I1343 HydrophobicContact CD2-CG1 4.34Å |
| 1244 | L | 91.9 | Very high | 65.1 | Low | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 133.6 | -175 | 176.8 | 69.5 | 0 | 0 | 0 | 109.6 | F1216 I1218 T1246 V1259 L1329 W1330 Y1352 L1357 | F1216-L1244 HydrophobicContact CB-CD2 3.96Å; F1216-L1244 HydrophobicContact CD2-CD2 4.43Å; F1216-L1244 HydrophobicContact CG-CD2 4.13Å; I1218-L1244 HydrophobicContact CD1-CB 3.89Å; L1244-T1246 HydrophobicContact CD1-CG2 4.39Å; L1244-T1246 HydrophobicContact CG-CG2 4.29Å; L1244-V1259 HydrophobicContact CB-CB 4.17Å; L1244-V1259 HydrophobicContact CB-CG2 4.32Å; L1244-V1259 HydrophobicContact CD2-CG2 4.44Å; L1244-V1259 PolarHBondContact N-O 3.2Å; L1244-V1259 VanDerWaalsContact N-O 3.13Å; L1244-V1259 PolarHBondContact O-N 2.86Å; L1244-L1329 HydrophobicContact CD1-CD1 4.03Å; L1244-L1329 HydrophobicContact CD1-CD2 3.68Å; L1244-L1329 HydrophobicContact CD1-CG 3.81Å; L1244-W1330 WeakPolarHBondContact CA-O 3.42Å; L1244-Y1352 HydrophobicContact CD2-CD2 3.9Å; L1244-Y1352 HydrophobicContact CD2-CE2 4.45Å; L1244-L1357 HydrophobicContact CD1-CD1 4.29Å |
| 1245 | F | 89.7 | Confident | 66.8 | Low | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 135.4 | 174.6 | 179.7 | -87.9 | 0 | 0 | 0 | 110.3 | T1242 E1247 Y1256 L1257 H1258 L1329 W1330 S1334 P1335 L1336 | T1242-F1245 HydrophobicContact CG2-CB 4.23Å; F1245-E1247 HydrophobicContact CE1-CB 3.78Å; F1245-E1247 HydrophobicContact CE1-CG 4.06Å; F1245-E1247 HydrophobicContact CZ-CB 4.3Å; F1245-Y1256 HydrophobicContact CD2-CD2 4.32Å; F1245-Y1256 AromaticContact CE2-CD2 3.46Å; F1245-Y1256 HydrophobicContact CE2-CD2 3.46Å; F1245-Y1256 VanDerWaalsContact CE2-CD2 3.46Å; F1245-Y1256 HydrophobicContact CE2-CE2 4.02Å; F1245-Y1256 AromaticContact CE2-CG 3.88Å; F1245-Y1256 HydrophobicContact CE2-CG 3.88Å; F1245-Y1256 HydrophobicContact CZ-CD2 4.02Å; F1245-Y1256 AromaticContact CZ-CG 3.95Å; F1245-Y1256 HydrophobicContact CZ-CG 3.95Å; F1245-L1257 CarbonylContact C-O 3.54Å; F1245-L1257 VanDerWaalsContact CA-O 3.3Å; F1245-L1257 WeakPolarHBondContact CA-O 3.34Å; F1245-L1257 WeakPolarHBondContact CD2-O 3.22Å; F1245-H1258 HydrophobicContact CD2-CB 3.73Å; F1245-H1258 AromaticContact CD2-CD2 3.84Å; F1245-H1258 AromaticContact CD2-CG 3.75Å; F1245-H1258 HydrophobicContact CE2-CB 4.21Å; F1245-L1329 CarbonylContact O-C 3.53Å; F1245-L1329 WeakPolarHBondContact O-CA 3.45Å; F1245-W1330 HydrophobicContact CB-CB 4.33Å; F1245-W1330 AromaticContact CD1-CD1 3.74Å; F1245-W1330 HydrophobicContact CD1-CG 4.42Å; F1245-W1330 PolarHBondContact N-O 3.02Å; F1245-W1330 PolarHBondContact O-N 2.79Å; F1245-S1334 WeakPolarHBondContact CD2-OG 3.13Å; F1245-S1334 VanDerWaalsContact CE2-OG 3.27Å; F1245-S1334 WeakPolarHBondContact CE2-OG 3.32Å; F1245-P1335 HydrophobicContact CD1-CG 4.18Å; F1245-P1335 HydrophobicContact CE1-CG 3.81Å; F1245-L1336 HydrophobicContact CE2-CB 4.43Å; F1245-L1336 HydrophobicContact CE2-CD1 4.18Å; F1245-L1336 HydrophobicContact CE2-CG 4.34Å; F1245-L1336 HydrophobicContact CZ-CB 4.22Å; F1245-L1336 HydrophobicContact CZ-CD1 3.64Å; F1245-L1336 HydrophobicContact CZ-CG 3.7Å |
| 1246 | T | 87.5 | Confident | 68.9 | Low | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 141.6 | -179 | 90.1 | 0 | 0 | 0 | 0 | 110.6 | L1244 Y1256 L1257 Y1328 L1329 Y1352 | L1244-T1246 HydrophobicContact CD1-CG2 4.39Å; L1244-T1246 HydrophobicContact CG-CG2 4.29Å; T1246-Y1256 CarbonylContact O-C 3.56Å; T1246-Y1256 WeakPolarHBondContact O-CA 3.37Å; T1246-Y1256 WeakPolarHBondContact O-CB 3.18Å; T1246-L1257 HydrophobicContact CG2-CB 4.39Å; T1246-L1257 PolarHBondContact N-O 3.18Å; T1246-L1257 PolarHBondContact O-N 3.46Å; T1246-L1257 WeakPolarHBondContact OG1-CB 3.45Å; T1246-Y1328 WeakPolarHBondContact CA-O 3.38Å; T1246-L1329 HydrophobicContact CG2-CB 4.46Å; T1246-L1329 HydrophobicContact CG2-CD1 3.84Å; T1246-L1329 HydrophobicContact CG2-CG 3.93Å; T1246-Y1352 HydrophobicContact CG2-CD2 4.5Å; T1246-Y1352 HydrophobicContact CG2-CE1 4.41Å; T1246-Y1352 HydrophobicContact CG2-CE2 3.85Å; T1246-Y1352 PolarHBondContact OG1-OH 3.04Å |
| 1247 | E | 83.4 | Confident | 71.3 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 162.8 | -172 | 66.4 | -177.8 | 156.4 | 0 | 0 | 114 | F1245 R1327 Y1328 W1330 | F1245-E1247 HydrophobicContact CE1-CB 3.78Å; F1245-E1247 HydrophobicContact CE1-CG 4.06Å; F1245-E1247 HydrophobicContact CZ-CB 4.3Å; E1247-R1327 PolarHBondContact O-N 2.77Å; E1247-Y1328 PolarHBondContact N-O 2.87Å; E1247-Y1328 PolarHBondContact O-N 3.11Å; E1247-Y1328 VanDerWaalsContact O-N 3.14Å; E1247-W1330 PolarHBondContact OE1-NE1 3.25Å |
| 1248 | N | 72.7 | Confident | 73.4 | Confident | 15 Ų | 15 | 52 Ų | 52 | 8% | 0.08 | 26% | 0.261 | C | S | . | . | trans | -114.9 | 109.2 | 170.5 | -167.6 | 18.4 | 0 | 0 | 0 | 111.1 | F1250 T1255 K1325 | N1248-F1250 PolarHBondContact O-N 2.82Å; N1248-T1255 PolarHBondContact N-O 3.23Å; N1248-K1325 WeakPolarHBondContact CB-O 3.35Å | ||
| 1249 | Q | 60.8 | Low | 75.3 | Confident | 113 Ų | 113 | 47.4 Ų | 47.4 | 53% | 0.528 | 24% | 0.236 | S | C | . | . | trans | -83.8 | 89.3 | 167.9 | -74.7 | -165.6 | -9.5 | 0 | 0 | 110.9 | Y1328 | Q1249-Y1328 HydrophobicContact CB-CD2 4.23Å; Q1249-Y1328 HydrophobicContact CB-CE2 4.02Å; Q1249-Y1328 HydrophobicContact CG-CD2 3.99Å; Q1249-Y1328 HydrophobicContact CG-CE2 4.04Å | ||
| 1250 | F | 50.9 | Low | 76.7 | Confident | 122 Ų | 122 | 43.9 Ų | 43.9 | 54% | 0.535 | 22% | 0.216 | S | C | . | . | trans | -132.2 | 147.6 | 157.8 | -93 | -86.8 | 0 | 0 | 0 | 109.9 | N1248 N1252 | N1248-F1250 PolarHBondContact O-N 2.82Å; F1250-N1252 PolarHBondContact O-N 2.92Å | ||
| 1251 | Q | 46.3 | Very low | 77.2 | Confident | 171 Ų | 171 | 42.2 Ų | 42.2 | 80% | 0.799 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | 127.1 | -170.4 | -68.8 | 179.5 | -36.5 | 0 | 0 | 111.4 | N1253 | Q1251-N1253 PolarHBondContact O-N 3.29Š|
| 1252 | N | 50.9 | Low | 77.3 | Confident | 163 Ų | 163 | 43.3 Ų | 43.3 | 87% | 0.872 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | -10.1 | 172.9 | -54.2 | -1.8 | 0 | 0 | 0 | 119.2 | F1250 | F1250-N1252 PolarHBondContact O-N 2.92Š|
| 1253 | N | 53.5 | Low | 77 | Confident | 130 Ų | 130 | 50.4 Ų | 50.4 | 70% | 0.695 | 25% | 0.246 | S | C | * | . | trans | -123.1 | 89.8 | 174.8 | -87.4 | -1.7 | 0 | 0 | 0 | 112.3 | Q1251 T1255 | Q1251-N1253 PolarHBondContact O-N 3.29Å; N1253-T1255 PolarHBondContact O-N 3.01Å | ||
| 1254 | L | 62.8 | Low | 76.6 | Confident | 97 Ų | 97 | 50.5 Ų | 50.5 | 51% | 0.508 | 25% | 0.247 | S | C | . | . | trans | -78.3 | 103.6 | 173.8 | -81 | 162.2 | 0 | 0 | 0 | 111 | L1271 | L1254-L1271 VanDerWaalsContact O-CD2 3.27Å; L1254-L1271 WeakPolarHBondContact O-CD2 3.28Å; L1254-L1271 WeakPolarHBondContact O-CG 3.5Å | ||
| 1255 | T | 73.3 | Confident | 76.6 | Confident | 19 Ų | 19 | 55 Ų | 55 | 12% | 0.117 | 27% | 0.265 | C | S | . | . | trans | -106.4 | 133.9 | 163.1 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | N1248 N1253 L1271 | N1248-T1255 PolarHBondContact N-O 3.23Å; N1253-T1255 PolarHBondContact O-N 3.01Å; T1255-L1271 WeakPolarHBondContact CA-O 3.18Å | ||
| 1256 | Y | 82.6 | Confident | 76.8 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 158 | -179.8 | 71.8 | -98.9 | 0 | 0 | 0 | 113.7 | F1245 T1246 H1258 K1269 F1270 L1271 M1276 L1336 | F1245-Y1256 HydrophobicContact CD2-CD2 4.32Å; F1245-Y1256 AromaticContact CE2-CD2 3.46Å; F1245-Y1256 HydrophobicContact CE2-CD2 3.46Å; F1245-Y1256 VanDerWaalsContact CE2-CD2 3.46Å; F1245-Y1256 HydrophobicContact CE2-CE2 4.02Å; F1245-Y1256 AromaticContact CE2-CG 3.88Å; F1245-Y1256 HydrophobicContact CE2-CG 3.88Å; F1245-Y1256 HydrophobicContact CZ-CD2 4.02Å; F1245-Y1256 AromaticContact CZ-CG 3.95Å; F1245-Y1256 HydrophobicContact CZ-CG 3.95Å; T1246-Y1256 CarbonylContact O-C 3.56Å; T1246-Y1256 WeakPolarHBondContact O-CA 3.37Å; T1246-Y1256 WeakPolarHBondContact O-CB 3.18Å; Y1256-H1258 HydrophobicContact CD2-CB 4.17Å; Y1256-H1258 HydrophobicContact CE2-CB 4.12Å; Y1256-K1269 HydrophobicContact CE2-CG 4.47Å; Y1256-K1269 WeakPolarHBondContact OH-CE 3.42Å; Y1256-K1269 PolarHBondContact OH-NZ 3.17Å; Y1256-F1270 VanDerWaalsContact O-CA 3.24Å; Y1256-F1270 WeakPolarHBondContact O-CA 3.37Å; Y1256-F1270 WeakPolarHBondContact O-CB 3.43Å; Y1256-L1271 HydrophobicContact CD1-CB 3.67Å; Y1256-L1271 HydrophobicContact CD1-CD2 3.95Å; Y1256-L1271 HydrophobicContact CD1-CG 4.41Å; Y1256-L1271 HydrophobicContact CE1-CB 3.53Å; Y1256-L1271 HydrophobicContact CE1-CD2 3.57Å; Y1256-L1271 HydrophobicContact CE1-CG 4.21Å; Y1256-L1271 HydrophobicContact CG-CB 4.31Å; Y1256-L1271 PolarHBondContact N-O 2.93Å; Y1256-L1271 PolarHBondContact O-N 2.85Å; Y1256-M1276 WeakPolarHBondContact OH-CE 3.46Å; Y1256-M1276 PolarHBondContact OH-SD 3.45Å; Y1256-L1336 HydrophobicContact CD1-CD1 3.51Å; Y1256-L1336 HydrophobicContact CE1-CD1 3.57Å; Y1256-L1336 HydrophobicContact CG-CD1 4.05Å |
| 1257 | L | 86.2 | Confident | 77 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.2 | 171.8 | -163.6 | 68.9 | 0 | 0 | 0 | 108.6 | F1245 T1246 M1268 F1270 L1324 Y1352 | F1245-L1257 CarbonylContact C-O 3.54Å; F1245-L1257 VanDerWaalsContact CA-O 3.3Å; F1245-L1257 WeakPolarHBondContact CA-O 3.34Å; F1245-L1257 WeakPolarHBondContact CD2-O 3.22Å; T1246-L1257 HydrophobicContact CG2-CB 4.39Å; T1246-L1257 PolarHBondContact N-O 3.18Å; T1246-L1257 PolarHBondContact O-N 3.46Å; T1246-L1257 WeakPolarHBondContact OG1-CB 3.45Å; L1257-M1268 HydrophobicContact CD1-CE 3.4Å; L1257-M1268 VanDerWaalsContact CD1-CE 3.4Å; L1257-M1268 HydrophobicContact CD2-CE 4.48Å; L1257-M1268 HydrophobicContact CG-CE 4.29Å; L1257-F1270 HydrophobicContact CD1-CB 3.86Å; L1257-F1270 HydrophobicContact CD1-CD1 4.5Å; L1257-F1270 HydrophobicContact CD1-CG 4.48Å; L1257-L1324 HydrophobicContact CD1-CD1 4.31Å; L1257-Y1352 HydrophobicContact CD2-CE2 4.1Å |
| 1258 | H | 89 | Confident | 77.3 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 116.2 | -179.1 | -172 | -168.5 | 0 | 0 | 0 | 110.3 | F1240 T1242 F1245 Y1256 Y1260 M1268 K1269 S1337 | F1240-H1258 AromaticContact CE2-CE1 3.71Å; T1242-H1258 PolarHBondContact OG1-NE2 3.01Å; F1245-H1258 HydrophobicContact CD2-CB 3.73Å; F1245-H1258 AromaticContact CD2-CD2 3.84Å; F1245-H1258 AromaticContact CD2-CG 3.75Å; F1245-H1258 HydrophobicContact CE2-CB 4.21Å; Y1256-H1258 HydrophobicContact CD2-CB 4.17Å; Y1256-H1258 HydrophobicContact CE2-CB 4.12Å; H1258-Y1260 AromaticContact CG-CD1 3.94Å; H1258-Y1260 AromaticContact ND1-CD1 3.92Å; H1258-M1268 CarbonylContact O-C 3.58Å; H1258-M1268 WeakPolarHBondContact O-CA 3.5Å; H1258-K1269 HydrophobicContact CB-CB 4.39Å; H1258-K1269 PolarHBondContact N-O 2.9Å; H1258-K1269 PolarHBondContact O-N 3.08Å; H1258-S1337 PolarHBondContact CE1-OG 3.46Å |
| 1259 | V | 91.9 | Very high | 77.9 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.4 | 175.7 | -169.7 | 0 | 0 | 0 | 0 | 107.6 | F1216 L1243 L1244 L1266 | F1216-V1259 HydrophobicContact CD1-CG2 4.47Å; F1216-V1259 HydrophobicContact CE1-CG2 3.8Å; F1216-V1259 HydrophobicContact CE2-CG1 3.9Å; F1216-V1259 HydrophobicContact CE2-CG2 3.96Å; F1216-V1259 HydrophobicContact CZ-CB 4.37Å; F1216-V1259 HydrophobicContact CZ-CG1 3.9Å; F1216-V1259 HydrophobicContact CZ-CG2 3.51Å; L1243-V1259 WeakPolarHBondContact CB-O 3.4Å; L1243-V1259 HydrophobicContact CD1-CG1 4.45Å; L1243-V1259 PolarHBondContact N-O 3.16Å; L1244-V1259 HydrophobicContact CB-CB 4.17Å; L1244-V1259 HydrophobicContact CB-CG2 4.32Å; L1244-V1259 HydrophobicContact CD2-CG2 4.44Å; L1244-V1259 PolarHBondContact N-O 3.2Å; L1244-V1259 VanDerWaalsContact N-O 3.13Å; L1244-V1259 PolarHBondContact O-N 2.86Å; V1259-L1266 HydrophobicContact CG1-CD1 3.62Å |
| 1260 | Y | 91.7 | Very high | 78.8 | Confident | 20 Ų | 20 | 52.9 Ų | 52.9 | 8% | 0.078 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 163.5 | -172.9 | 61.9 | -85.6 | 0 | 0 | 0 | 111.8 | F1240 I1241 H1258 E1262 K1267 K1269 | F1240-Y1260 HydrophobicContact CB-CD2 3.87Å; F1240-Y1260 HydrophobicContact CB-CE2 4.47Å; F1240-Y1260 HydrophobicContact CD2-CD2 4.14Å; F1240-Y1260 HydrophobicContact CD2-CG 4.31Å; F1240-Y1260 HydrophobicContact CG-CD2 4.13Å; I1241-Y1260 CarbonylContact O-C 3.5Å; I1241-Y1260 WeakPolarHBondContact O-CA 3.45Å; I1241-Y1260 VanDerWaalsContact O-CB 3.31Å; I1241-Y1260 WeakPolarHBondContact O-CB 3.37Å; H1258-Y1260 AromaticContact CG-CD1 3.94Å; H1258-Y1260 AromaticContact ND1-CD1 3.92Å; Y1260-E1262 HydrophobicContact CD2-CB 4.22Å; Y1260-E1262 HydrophobicContact CE2-CB 4.01Å; Y1260-K1267 HydrophobicContact CD1-CB 4.47Å; Y1260-K1267 HydrophobicContact CD2-CB 4.17Å; Y1260-K1267 HydrophobicContact CE1-CB 4.04Å; Y1260-K1267 HydrophobicContact CE2-CB 3.75Å; Y1260-K1267 HydrophobicContact CE2-CD 4.04Å; Y1260-K1267 HydrophobicContact CE2-CG 4.31Å; Y1260-K1267 PolarHBondContact N-O 3.17Å; Y1260-K1267 PolarHBondContact O-N 3.26Å; Y1260-K1267 VanDerWaalsContact O-O 3.14Å; Y1260-K1269 HydrophobicContact CE1-CB 3.84Å |
| 1261 | L | 90.3 | Very high | 80 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120.3 | 169.6 | -56 | -179.6 | 0 | 0 | 0 | 109.1 | L1222 F1240 I1241 L1243 Y1265 L1266 V1286 I1294 | L1222-L1261 HydrophobicContact CD1-CD1 3.59Å; F1240-L1261 CarbonylContact C-O 3.58Å; F1240-L1261 WeakPolarHBondContact CA-O 3.45Å; F1240-L1261 WeakPolarHBondContact CB-O 3.2Å; I1241-L1261 HydrophobicContact CB-CB 4.37Å; I1241-L1261 PolarHBondContact N-O 3.03Å; I1241-L1261 PolarHBondContact O-N 3.19Å; L1243-L1261 HydrophobicContact CD1-CD1 4.47Å; L1243-L1261 HydrophobicContact CD1-CD2 3.83Å; L1243-L1261 HydrophobicContact CD1-CG 3.86Å; L1243-L1261 HydrophobicContact CD2-CD1 4.28Å; L1243-L1261 HydrophobicContact CD2-CG 4.23Å; L1243-L1261 HydrophobicContact CG-CG 4.13Å; L1261-Y1265 CarbonylContact C-O 3.56Å; L1261-Y1265 VanDerWaalsContact CA-O 3.29Å; L1261-Y1265 WeakPolarHBondContact CA-O 3.07Å; L1261-L1266 HydrophobicContact CD2-CB 4.19Å; L1261-L1266 HydrophobicContact CD2-CD1 4.44Å; L1261-V1286 HydrophobicContact CD1-CB 4.11Å; L1261-V1286 HydrophobicContact CD2-CB 4.28Å; L1261-V1286 HydrophobicContact CD2-CG2 3.88Å; L1261-I1294 HydrophobicContact CD2-CD1 4.11Å |
| 1262 | E | 87.1 | Confident | 81 | Confident | 33 Ų | 33 | 40.4 Ų | 40.4 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.6 | 172.1 | -174.1 | 169.7 | -140.4 | 0 | 0 | 108.3 | N1238 F1240 Y1260 G1264 Y1265 K1267 | N1238-E1262 PolarHBondContact ND2-OE1 2.87Å; F1240-E1262 HydrophobicContact CB-CB 4.4Å; Y1260-E1262 HydrophobicContact CD2-CB 4.22Å; Y1260-E1262 HydrophobicContact CE2-CB 4.01Å; E1262-G1264 PolarHBondContact O-N 2.89Å; E1262-G1264 VanDerWaalsContact O-N 3.11Å; E1262-Y1265 PolarHBondContact N-O 3.34Å; E1262-Y1265 PolarHBondContact O-N 2.84Å; E1262-K1267 HydrophobicContact CB-CD 4.09Å; E1262-K1267 VanDerWaalsContact OE2-CD 3.23Å; E1262-K1267 WeakPolarHBondContact OE2-CD 3.47Å; E1262-K1267 WeakPolarHBondContact OE2-CE 3.21Å; E1262-K1267 IonicContact OE2-NZ 2.7Å; E1262-K1267 PolarHBondContact OE2-NZ 3.34Å |
| 1263 | Q | 82.6 | Confident | 81.6 | Confident | 149 Ų | 149 | 38.1 Ų | 38.1 | 70% | 0.696 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 29.7 | -173.1 | -55.5 | 177.8 | 1.4 | 0 | 0 | 113.8 | N1285 | Q1263-N1285 PolarHBondContact O-ND2 2.81Å; Q1263-N1285 VanDerWaalsContact O-ND2 3.17Å |
| 1264 | G | 84.5 | Confident | 82 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -4.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | E1262 N1285 V1286 | E1262-G1264 PolarHBondContact O-N 2.89Å; E1262-G1264 VanDerWaalsContact O-N 3.11Å; G1264-N1285 WeakPolarHBondContact O-CA 3.31Å; G1264-V1286 WeakPolarHBondContact O-CG2 3.41Å; G1264-V1286 PolarHBondContact O-N 2.82Å |
| 1265 | Y | 90.6 | Very high | 82.1 | Confident | 97 Ų | 97 | 33 Ų | 33 | 38% | 0.38 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 138 | 178.3 | -63.5 | -81.3 | 0 | 0 | 0 | 112.2 | L1261 E1262 I1284 N1285 | L1261-Y1265 CarbonylContact C-O 3.56Å; L1261-Y1265 VanDerWaalsContact CA-O 3.29Å; L1261-Y1265 WeakPolarHBondContact CA-O 3.07Å; E1262-Y1265 PolarHBondContact N-O 3.34Å; E1262-Y1265 PolarHBondContact O-N 2.84Å; Y1265-I1284 WeakPolarHBondContact CD1-O 3.45Å; Y1265-N1285 HydrophobicContact CD1-CB 4.42Å; Y1265-N1285 HydrophobicContact CE1-CB 3.92Å |
| 1266 | L | 93.6 | Very high | 82.2 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 131.4 | -179.5 | 174.3 | 62.8 | 0 | 0 | 0 | 112.7 | V1259 L1261 G1281 I1294 L1305 V1307 | V1259-L1266 HydrophobicContact CG1-CD1 3.62Å; L1261-L1266 HydrophobicContact CD2-CB 4.19Å; L1261-L1266 HydrophobicContact CD2-CD1 4.44Å; L1266-G1281 WeakPolarHBondContact O-CA 3.26Å; L1266-G1281 PolarHBondContact O-N 2.91Å; L1266-I1294 HydrophobicContact CD1-CD1 4.16Å; L1266-I1294 HydrophobicContact CD1-CG2 4.01Å; L1266-I1294 HydrophobicContact CD2-CG2 3.61Å; L1266-I1294 HydrophobicContact CG-CG2 4.46Å; L1266-L1305 HydrophobicContact CD2-CB 4.38Å; L1266-L1305 HydrophobicContact CD2-CD2 4.44Å; L1266-V1307 HydrophobicContact CB-CG2 4.02Å; L1266-V1307 HydrophobicContact CD2-CG2 3.64Å |
| 1267 | K | 91.8 | Very high | 82 | Confident | 41 Ų | 41 | 38.5 Ų | 38.5 | 18% | 0.178 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 153.8 | 167.5 | -59.6 | -164.5 | 179.3 | -162.5 | 0 | 112.1 | Y1260 E1262 I1279 D1280 | Y1260-K1267 HydrophobicContact CD1-CB 4.47Å; Y1260-K1267 HydrophobicContact CD2-CB 4.17Å; Y1260-K1267 HydrophobicContact CE1-CB 4.04Å; Y1260-K1267 HydrophobicContact CE2-CB 3.75Å; Y1260-K1267 HydrophobicContact CE2-CD 4.04Å; Y1260-K1267 HydrophobicContact CE2-CG 4.31Å; Y1260-K1267 PolarHBondContact N-O 3.17Å; Y1260-K1267 PolarHBondContact O-N 3.26Å; Y1260-K1267 VanDerWaalsContact O-O 3.14Å; E1262-K1267 HydrophobicContact CB-CD 4.09Å; E1262-K1267 VanDerWaalsContact OE2-CD 3.23Å; E1262-K1267 WeakPolarHBondContact OE2-CD 3.47Å; E1262-K1267 WeakPolarHBondContact OE2-CE 3.21Å; E1262-K1267 IonicContact OE2-NZ 2.7Å; E1262-K1267 PolarHBondContact OE2-NZ 3.34Å; K1267-I1279 WeakPolarHBondContact CA-O 3.1Å; K1267-D1280 VanDerWaalsContact CD-OD1 3.22Å; K1267-D1280 WeakPolarHBondContact CD-OD1 3.24Å; K1267-D1280 WeakPolarHBondContact CE-OD1 3.28Å; K1267-D1280 IonicContact NZ-OD1 2.98Å; K1267-D1280 PolarHBondContact NZ-OD1 2.95Å |
| 1268 | M | 90.3 | Very high | 82 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 130 | 175.9 | -177 | -174.8 | -179.6 | 0 | 0 | 109.1 | F1216 L1257 H1258 F1270 V1278 I1279 I1303 L1305 | F1216-M1268 HydrophobicContact CE1-CE 4.21Å; F1216-M1268 HydrophobicContact CE1-SD 4.31Å; L1257-M1268 HydrophobicContact CD1-CE 3.4Å; L1257-M1268 VanDerWaalsContact CD1-CE 3.4Å; L1257-M1268 HydrophobicContact CD2-CE 4.48Å; L1257-M1268 HydrophobicContact CG-CE 4.29Å; H1258-M1268 CarbonylContact O-C 3.58Å; H1258-M1268 WeakPolarHBondContact O-CA 3.5Å; M1268-F1270 HydrophobicContact CE-CD1 4.4Å; M1268-V1278 CarbonylContact O-C 3.54Å; M1268-I1279 PolarHBondContact N-O 3.27Å; M1268-I1279 PolarHBondContact O-N 3.42Å; M1268-I1303 HydrophobicContact CE-CG2 4.5Å; M1268-I1303 HydrophobicContact SD-CG2 3.84Å; M1268-L1305 HydrophobicContact CB-CD1 3.75Å; M1268-L1305 HydrophobicContact CB-CD2 4.07Å; M1268-L1305 HydrophobicContact CB-CG 4.41Å; M1268-L1305 HydrophobicContact CG-CD2 4.48Å; M1268-L1305 HydrophobicContact SD-CD2 3.72Å; M1268-L1305 HydrophobicContact SD-CG 4.33Å |
| 1269 | K | 85.5 | Confident | 82 | Confident | 46 Ų | 46 | 42 Ų | 42 | 20% | 0.2 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 143.8 | 178 | 173.7 | -177 | 179 | -161.3 | 0 | 109.5 | Y1256 H1258 Y1260 M1276 I1277 V1278 | Y1256-K1269 HydrophobicContact CE2-CG 4.47Å; Y1256-K1269 WeakPolarHBondContact OH-CE 3.42Å; Y1256-K1269 PolarHBondContact OH-NZ 3.17Å; H1258-K1269 HydrophobicContact CB-CB 4.39Å; H1258-K1269 PolarHBondContact N-O 2.9Å; H1258-K1269 PolarHBondContact O-N 3.08Å; Y1260-K1269 HydrophobicContact CE1-CB 3.84Å; K1269-M1276 VanDerWaalsContact CE-SD 3.55Å; K1269-I1277 CarbonylContact C-O 3.58Å; K1269-I1277 VanDerWaalsContact CA-O 3.28Å; K1269-I1277 WeakPolarHBondContact CA-O 3.44Å; K1269-V1278 HydrophobicContact CB-CG2 4.22Å; K1269-V1278 HydrophobicContact CD-CG2 4.23Å; K1269-V1278 HydrophobicContact CG-CG2 3.96Å |
| 1270 | F | 79.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 150.2 | 173.4 | 49.2 | -82.2 | 0 | 0 | 0 | 111.6 | Y1256 L1257 M1268 L1272 I1277 I1279 I1303 L1316 | Y1256-F1270 VanDerWaalsContact O-CA 3.24Å; Y1256-F1270 WeakPolarHBondContact O-CA 3.37Å; Y1256-F1270 WeakPolarHBondContact O-CB 3.43Å; L1257-F1270 HydrophobicContact CD1-CB 3.86Å; L1257-F1270 HydrophobicContact CD1-CD1 4.5Å; L1257-F1270 HydrophobicContact CD1-CG 4.48Å; M1268-F1270 HydrophobicContact CE-CD1 4.4Å; F1270-L1272 HydrophobicContact CD2-CD1 3.49Å; F1270-L1272 VanDerWaalsContact CD2-CD1 3.49Å; F1270-L1272 HydrophobicContact CD2-CG 3.87Å; F1270-L1272 HydrophobicContact CE2-CD1 3.76Å; F1270-I1277 HydrophobicContact CD2-CB 4.21Å; F1270-I1277 HydrophobicContact CE1-CB 4.11Å; F1270-I1277 HydrophobicContact CE1-CG2 4.02Å; F1270-I1277 HydrophobicContact CE2-CB 3.69Å; F1270-I1277 HydrophobicContact CE2-CD1 3.84Å; F1270-I1277 HydrophobicContact CE2-CG1 4.12Å; F1270-I1277 HydrophobicContact CE2-CG2 4.16Å; F1270-I1277 HydrophobicContact CZ-CB 3.62Å; F1270-I1277 HydrophobicContact CZ-CD1 4.18Å; F1270-I1277 HydrophobicContact CZ-CG1 4.4Å; F1270-I1277 HydrophobicContact CZ-CG2 3.58Å; F1270-I1277 PolarHBondContact N-O 2.85Å; F1270-I1277 PolarHBondContact O-N 3.31Å; F1270-I1279 HydrophobicContact CE1-CD1 3.76Å; F1270-I1279 HydrophobicContact CE1-CG1 4.26Å; F1270-I1279 HydrophobicContact CZ-CD1 4.15Å; F1270-I1303 HydrophobicContact CD1-CD1 4.41Å; F1270-I1303 HydrophobicContact CE1-CD1 3.37Å; F1270-I1303 HydrophobicContact CE2-CD1 4.28Å; F1270-I1303 HydrophobicContact CZ-CD1 3.28Å; F1270-L1316 HydrophobicContact CE2-CD1 4.18Å; F1270-L1316 HydrophobicContact CZ-CD1 4.09Å |
| 1271 | L | 75.6 | Confident | 81.7 | Confident | 28 Ų | 28 | 44.8 Ų | 44.8 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 113.7 | 174.5 | 178.7 | 56.5 | 0 | 0 | 0 | 108.4 | L1254 T1255 Y1256 M1276 | L1254-L1271 VanDerWaalsContact O-CD2 3.27Å; L1254-L1271 WeakPolarHBondContact O-CD2 3.28Å; L1254-L1271 WeakPolarHBondContact O-CG 3.5Å; T1255-L1271 WeakPolarHBondContact CA-O 3.18Å; Y1256-L1271 HydrophobicContact CD1-CB 3.67Å; Y1256-L1271 HydrophobicContact CD1-CD2 3.95Å; Y1256-L1271 HydrophobicContact CD1-CG 4.41Å; Y1256-L1271 HydrophobicContact CE1-CB 3.53Å; Y1256-L1271 HydrophobicContact CE1-CD2 3.57Å; Y1256-L1271 HydrophobicContact CE1-CG 4.21Å; Y1256-L1271 HydrophobicContact CG-CB 4.31Å; Y1256-L1271 PolarHBondContact N-O 2.93Å; Y1256-L1271 PolarHBondContact O-N 2.85Å; L1271-M1276 HydrophobicContact CB-SD 4.24Å; L1271-M1276 HydrophobicContact CD1-CG 4.08Å; L1271-M1276 HydrophobicContact CD1-SD 4.18Å |
| 1272 | L | 68.2 | Low | 81.7 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 126.3 | 177.9 | -67.3 | 171.5 | 0 | 0 | 0 | 108.5 | F1270 G1274 S1275 L1324 | F1270-L1272 HydrophobicContact CD2-CD1 3.49Å; F1270-L1272 VanDerWaalsContact CD2-CD1 3.49Å; F1270-L1272 HydrophobicContact CD2-CG 3.87Å; F1270-L1272 HydrophobicContact CE2-CD1 3.76Å; L1272-G1274 PolarHBondContact O-N 2.88Å; L1272-G1274 VanDerWaalsContact O-N 3.09Å; L1272-S1275 PolarHBondContact N-O 2.93Å; L1272-S1275 VanDerWaalsContact N-O 3.1Å; L1272-S1275 WeakPolarHBondContact O-CA 3.4Å; L1272-S1275 WeakPolarHBondContact O-CB 3.47Å; L1272-S1275 PolarHBondContact O-N 3.04Å; L1272-L1324 HydrophobicContact CD2-CD1 4.4Å; L1272-L1324 HydrophobicContact CD2-CD2 4.16Å; L1272-L1324 HydrophobicContact CD2-CG 3.9Å |
| 1273 | D | 63.3 | Low | 81.8 | Confident | 115 Ų | 115 | 52.6 Ų | 52.6 | 62% | 0.615 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 42.5 | 175.9 | -56 | -7.3 | 0 | 0 | 0 | 113.8 | S1275 S1322 | D1273-S1275 PolarHBondContact O-N 3.29Å; D1273-S1322 WeakPolarHBondContact OD2-CB 3.36Å |
| 1274 | G | 61.9 | Low | 82.1 | Confident | 70 Ų | 70 | 47.4 Ų | 47.4 | 72% | 0.722 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | -8.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1272 | L1272-G1274 PolarHBondContact O-N 2.88Å; L1272-G1274 VanDerWaalsContact O-N 3.09Å |
| 1275 | S | 65.8 | Low | 82.3 | Confident | 50 Ų | 50 | 50.1 Ų | 50.1 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 120.4 | 178 | -61 | 0 | 0 | 0 | 0 | 111.7 | L1272 D1273 | L1272-S1275 PolarHBondContact N-O 2.93Å; L1272-S1275 VanDerWaalsContact N-O 3.1Å; L1272-S1275 WeakPolarHBondContact O-CA 3.4Å; L1272-S1275 WeakPolarHBondContact O-CB 3.47Å; L1272-S1275 PolarHBondContact O-N 3.04Å; D1273-S1275 PolarHBondContact O-N 3.29Å |
| 1276 | M | 74.5 | Confident | 82.3 | Confident | 110 Ų | 110 | 45.5 Ų | 45.5 | 54% | 0.542 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 127.6 | 170.2 | -70.8 | -83.3 | -136.7 | 0 | 0 | 110 | Y1256 K1269 L1271 | Y1256-M1276 WeakPolarHBondContact OH-CE 3.46Å; Y1256-M1276 PolarHBondContact OH-SD 3.45Å; K1269-M1276 VanDerWaalsContact CE-SD 3.55Å; L1271-M1276 HydrophobicContact CB-SD 4.24Å; L1271-M1276 HydrophobicContact CD1-CG 4.08Å; L1271-M1276 HydrophobicContact CD1-SD 4.18Å |
| 1277 | I | 79.2 | Confident | 81.9 | Confident | 36 Ų | 36 | 47.4 Ų | 47.4 | 19% | 0.185 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.5 | 171.5 | -56.3 | -176 | 0 | 0 | 0 | 108.5 | K1269 F1270 I1279 L1316 F1320 | K1269-I1277 CarbonylContact C-O 3.58Å; K1269-I1277 VanDerWaalsContact CA-O 3.28Å; K1269-I1277 WeakPolarHBondContact CA-O 3.44Å; F1270-I1277 HydrophobicContact CD2-CB 4.21Å; F1270-I1277 HydrophobicContact CE1-CB 4.11Å; F1270-I1277 HydrophobicContact CE1-CG2 4.02Å; F1270-I1277 HydrophobicContact CE2-CB 3.69Å; F1270-I1277 HydrophobicContact CE2-CD1 3.84Å; F1270-I1277 HydrophobicContact CE2-CG1 4.12Å; F1270-I1277 HydrophobicContact CE2-CG2 4.16Å; F1270-I1277 HydrophobicContact CZ-CB 3.62Å; F1270-I1277 HydrophobicContact CZ-CD1 4.18Å; F1270-I1277 HydrophobicContact CZ-CG1 4.4Å; F1270-I1277 HydrophobicContact CZ-CG2 3.58Å; F1270-I1277 PolarHBondContact N-O 2.85Å; F1270-I1277 PolarHBondContact O-N 3.31Å; I1277-I1279 HydrophobicContact CG2-CD1 4.48Å; I1277-I1279 HydrophobicContact CG2-CG1 4.17Å; I1277-L1316 HydrophobicContact CD1-CD1 4.11Å; I1277-L1316 HydrophobicContact CD1-CD2 4.06Å; I1277-L1316 HydrophobicContact CG2-CD2 4.17Å; I1277-F1320 HydrophobicContact CD1-CE2 4.13Å |
| 1278 | V | 86.2 | Confident | 81.6 | Confident | 76 Ų | 76 | 48.7 Ų | 48.7 | 46% | 0.461 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 136.3 | 174.8 | -176.8 | 0 | 0 | 0 | 0 | 108 | M1268 K1269 | M1268-V1278 CarbonylContact O-C 3.54Å; K1269-V1278 HydrophobicContact CB-CG2 4.22Å; K1269-V1278 HydrophobicContact CD-CG2 4.23Å; K1269-V1278 HydrophobicContact CG-CG2 3.96Å |
| 1279 | I | 87.6 | Confident | 81.3 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 119.2 | -178 | -62.8 | -175.8 | 0 | 0 | 0 | 107.8 | K1267 M1268 F1270 I1277 I1303 L1305 Y1314 | K1267-I1279 WeakPolarHBondContact CA-O 3.1Å; M1268-I1279 PolarHBondContact N-O 3.27Å; M1268-I1279 PolarHBondContact O-N 3.42Å; F1270-I1279 HydrophobicContact CE1-CD1 3.76Å; F1270-I1279 HydrophobicContact CE1-CG1 4.26Å; F1270-I1279 HydrophobicContact CZ-CD1 4.15Å; I1277-I1279 HydrophobicContact CG2-CD1 4.48Å; I1277-I1279 HydrophobicContact CG2-CG1 4.17Å; I1279-I1303 HydrophobicContact CD1-CB 3.98Å; I1279-I1303 HydrophobicContact CD1-CD1 3.56Å; I1279-I1303 HydrophobicContact CD1-CG1 4.35Å; I1279-I1303 HydrophobicContact CD1-CG2 3.89Å; I1279-L1305 HydrophobicContact CB-CD1 4.47Å; I1279-L1305 HydrophobicContact CG2-CD1 3.81Å; I1279-Y1314 HydrophobicContact CD1-CG 4.34Å; I1279-Y1314 HydrophobicContact CG1-CG 4.48Å; I1279-Y1314 HydrophobicContact CG2-CD2 3.48Å; I1279-Y1314 VanDerWaalsContact CG2-CD2 3.48Å; I1279-Y1314 HydrophobicContact CG2-CE2 3.76Å; I1279-Y1314 HydrophobicContact CG2-CG 3.96Å |
| 1280 | D | 89.5 | Confident | 81.5 | Confident | 70 Ų | 70 | 51.5 Ų | 51.5 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 134.4 | 169 | -66.9 | -28.1 | 0 | 0 | 0 | 109.2 | K1267 | K1267-D1280 VanDerWaalsContact CD-OD1 3.22Å; K1267-D1280 WeakPolarHBondContact CD-OD1 3.24Å; K1267-D1280 WeakPolarHBondContact CE-OD1 3.28Å; K1267-D1280 IonicContact NZ-OD1 2.98Å; K1267-D1280 PolarHBondContact NZ-OD1 2.95Å |
| 1281 | G | 88.9 | Confident | 82.2 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 8% | 0.082 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -171 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1266 | L1266-G1281 WeakPolarHBondContact O-CA 3.26Å; L1266-G1281 PolarHBondContact O-N 2.91Å |
| 1282 | P | 89.3 | Confident | 83.1 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 5% | 0.045 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 140.7 | 170.9 | -22.8 | 31.7 | 0 | 0 | 0 | 111.7 | I1284 V1307 Y1310 | P1282-I1284 HydrophobicContact CB-CG1 4.34Å; P1282-I1284 PolarHBondContact O-N 2.69Å; P1282-V1307 HydrophobicContact CB-CB 4.42Å; P1282-V1307 HydrophobicContact CB-CG2 4.39Å; P1282-V1307 HydrophobicContact CG-CB 4.42Å; P1282-V1307 HydrophobicContact CG-CG2 4.23Å; P1282-Y1310 WeakPolarHBondContact CG-O 3.33Å |
| 1283 | K | 89.5 | Confident | 84.3 | Confident | 191 Ų | 191 | 50.6 Ų | 50.6 | 83% | 0.83 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 51.2 | -179.9 | -64.8 | -169.4 | 175.9 | -173.4 | 0 | 113.3 | ||
| 1284 | I | 89.3 | Confident | 85.8 | Confident | 40 Ų | 40 | 45.1 Ų | 45.1 | 21% | 0.205 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.2 | 170.1 | -55.8 | -58.5 | 0 | 0 | 0 | 107.4 | Y1265 P1282 V1307 Y1310 | Y1265-I1284 WeakPolarHBondContact CD1-O 3.45Å; P1282-I1284 HydrophobicContact CB-CG1 4.34Å; P1282-I1284 PolarHBondContact O-N 2.69Å; I1284-V1307 HydrophobicContact CB-CB 4.18Å; I1284-V1307 HydrophobicContact CB-CG1 3.88Å; I1284-V1307 HydrophobicContact CG1-CB 4.33Å; I1284-V1307 HydrophobicContact CG1-CG1 4.38Å; I1284-V1307 HydrophobicContact CG2-CG1 3.79Å; I1284-Y1310 HydrophobicContact CD1-CD2 3.56Å; I1284-Y1310 HydrophobicContact CD1-CE2 3.75Å; I1284-Y1310 HydrophobicContact CD1-CG 4Å; I1284-Y1310 HydrophobicContact CG1-CD2 3.68Å; I1284-Y1310 HydrophobicContact CG1-CE2 4.33Å; I1284-Y1310 HydrophobicContact CG1-CG 4.09Å |
| 1285 | N | 89.4 | Confident | 87.2 | Confident | 58 Ų | 58 | 44.2 Ų | 44.2 | 31% | 0.31 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 120.6 | 171.7 | -167.6 | -45.1 | 0 | 0 | 0 | 108.5 | Q1263 G1264 Y1265 Q1287 | Q1263-N1285 PolarHBondContact O-ND2 2.81Å; Q1263-N1285 VanDerWaalsContact O-ND2 3.17Å; G1264-N1285 WeakPolarHBondContact O-CA 3.31Å; Y1265-N1285 HydrophobicContact CD1-CB 4.42Å; Y1265-N1285 HydrophobicContact CE1-CB 3.92Å; N1285-Q1287 VanDerWaalsContact C-N 3.34Å; N1285-Q1287 PolarHBondContact OD1-N 2.82Å |
| 1286 | V | 88.7 | Confident | 88.4 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -92.2 | 5.1 | -173.2 | -153.1 | 0 | 0 | 0 | 0 | 112.2 | L1261 G1264 H1292 I1294 V1307 | L1261-V1286 HydrophobicContact CD1-CB 4.11Å; L1261-V1286 HydrophobicContact CD2-CB 4.28Å; L1261-V1286 HydrophobicContact CD2-CG2 3.88Å; G1264-V1286 WeakPolarHBondContact O-CG2 3.41Å; G1264-V1286 PolarHBondContact O-N 2.82Å; V1286-H1292 HydrophobicContact CG1-CB 3.54Å; V1286-H1292 VanDerWaalsContact CG1-CD2 3.43Å; V1286-H1292 WeakPolarHBondContact CG1-CD2 3.49Å; V1286-I1294 HydrophobicContact CG1-CD1 4.23Å; V1286-I1294 HydrophobicContact CG2-CD1 4.32Å; V1286-V1307 HydrophobicContact CG2-CG1 4.25Å |
| 1287 | Q | 85.8 | Confident | 88.9 | Confident | 42 Ų | 42 | 38 Ų | 38 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | trans | -111.2 | 36.8 | -177.2 | -157.6 | 175.8 | 2.2 | 0 | 0 | 112.4 | L1222 N1285 | L1222-Q1287 HydrophobicContact CB-CG 4.27Å; L1222-Q1287 HydrophobicContact CD1-CB 4.29Å; L1222-Q1287 HydrophobicContact CD1-CG 4.11Å; N1285-Q1287 VanDerWaalsContact C-N 3.34Å; N1285-Q1287 PolarHBondContact OD1-N 2.82Å | ||
| 1288 | D | 85 | Confident | 89 | Confident | 67 Ų | 67 | 36.5 Ų | 36.5 | 36% | 0.358 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -90.6 | -5.9 | -179.4 | 74.3 | -4.8 | 0 | 0 | 0 | 114.3 | I1224 Y1290 H1292 | I1224-D1288 WeakPolarHBondContact CD1-O 3.46Å; D1288-Y1290 WeakPolarHBondContact OD1-CA 3.45Å; D1288-Y1290 WeakPolarHBondContact OD1-CB 3.4Å; D1288-Y1290 PolarHBondContact OD1-N 2.79Å; D1288-Y1290 WeakPolarHBondContact OD2-CD2 3.46Å; D1288-H1292 IonicContact OD1-NE2 3.41Å; D1288-H1292 PolarHBondContact OD1-NE2 3Å; D1288-H1292 IonicContact OD2-NE2 3.4Å |
| 1289 | G | 84.7 | Confident | 88.5 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 7% | 0.072 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 91.4 | -0.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1290 | Y | 90.6 | Very high | 87.6 | Confident | 99 Ų | 99 | 43.2 Ų | 43.2 | 39% | 0.388 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -97.5 | 175.5 | 172.7 | -64.4 | -73 | 0 | 0 | 0 | 111.7 | D1288 K1387 | D1288-Y1290 WeakPolarHBondContact OD1-CA 3.45Å; D1288-Y1290 WeakPolarHBondContact OD1-CB 3.4Å; D1288-Y1290 PolarHBondContact OD1-N 2.79Å; D1288-Y1290 WeakPolarHBondContact OD2-CD2 3.46Å; Y1290-K1387 CarbonylContact C-O 3.53Å; Y1290-K1387 WeakPolarHBondContact CA-O 3.39Å; Y1290-K1387 HydrophobicContact CD1-CB 4.19Å |
| 1291 | Y | 93.2 | Very high | 86.9 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | trans | -88.8 | 130.5 | 179.5 | -177.3 | -96.7 | 0 | 0 | 0 | 112.3 | T1158 F1159 G1219 L1220 Q1221 T1348 F1384 L1386 K1387 L1388 F1394 | T1158-Y1291 WeakPolarHBondContact CB-OH 3.31Å; T1158-Y1291 PolarHBondContact OG1-OH 2.85Å; F1159-Y1291 HydrophobicContact CE2-CE1 4.11Å; F1159-Y1291 HydrophobicContact CZ-CD1 4.48Å; F1159-Y1291 AromaticContact CZ-CE1 3.79Å; F1159-Y1291 HydrophobicContact CZ-CE1 3.79Å; G1219-Y1291 WeakPolarHBondContact CA-OH 3.19Å; L1220-Y1291 WeakPolarHBondContact O-CA 3.43Å; L1220-Y1291 WeakPolarHBondContact O-CD2 3.3Å; Q1221-Y1291 HydrophobicContact CB-CD2 4.2Å; Y1291-T1348 HydrophobicContact CE2-CG2 3.47Å; Y1291-T1348 VanDerWaalsContact CE2-CG2 3.47Å; Y1291-T1348 VanDerWaalsContact OH-CG2 3.24Å; Y1291-T1348 WeakPolarHBondContact OH-CG2 3.31Å; Y1291-F1384 HydrophobicContact CD2-CZ 4.49Å; Y1291-L1386 HydrophobicContact CD1-CD1 3.7Å; Y1291-L1386 HydrophobicContact CD1-CG 4.37Å; Y1291-L1386 HydrophobicContact CD2-CD1 3.3Å; Y1291-L1386 HydrophobicContact CD2-CG 4.37Å; Y1291-L1386 HydrophobicContact CE1-CD1 3.94Å; Y1291-L1386 HydrophobicContact CE2-CD1 3.56Å; Y1291-L1386 HydrophobicContact CG-CD1 3.35Å; Y1291-L1386 HydrophobicContact CG-CG 4.05Å; Y1291-K1387 WeakPolarHBondContact CB-O 3.4Å; Y1291-K1387 PolarHBondContact N-O 3.33Å; Y1291-L1388 HydrophobicContact CD1-CD2 4.04Å; Y1291-L1388 HydrophobicContact CG-CD2 4.43Å; Y1291-F1394 HydrophobicContact CD1-CD2 4.08Å; Y1291-F1394 HydrophobicContact CE1-CD2 4.21Å; Y1291-F1394 HydrophobicContact CE1-CE2 4.47Å | ||
| 1292 | H | 93.6 | Very high | 86.5 | Confident | 11 Ų | 11 | 44.3 Ų | 44.3 | 5% | 0.051 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 151.3 | 174.1 | -62.2 | -78 | 0 | 0 | 0 | 112.3 | L1220 V1286 D1288 V1307 D1308 | L1220-H1292 PolarHBondContact N-O 3.06Å; L1220-H1292 PolarHBondContact O-N 3.33Å; V1286-H1292 HydrophobicContact CG1-CB 3.54Å; V1286-H1292 VanDerWaalsContact CG1-CD2 3.43Å; V1286-H1292 WeakPolarHBondContact CG1-CD2 3.49Å; D1288-H1292 IonicContact OD1-NE2 3.41Å; D1288-H1292 PolarHBondContact OD1-NE2 3Å; D1288-H1292 IonicContact OD2-NE2 3.4Å; H1292-V1307 HydrophobicContact CB-CG1 4.47Å; H1292-D1308 WeakPolarHBondContact CA-OD1 3.31Å; H1292-D1308 WeakPolarHBondContact CB-OD1 3.5Å; H1292-D1308 IonicContact CE1-OD2 2.74Å; H1292-D1308 IonicContact CG-OD1 3.22Å; H1292-D1308 IonicContact CG-OD2 3.33Å; H1292-D1308 IonicContact ND1-OD1 2.68Å; H1292-D1308 IonicContact ND1-OD2 3.04Å; H1292-D1308 PolarHBondContact ND1-OD2 3.07Å |
| 1293 | R | 93.7 | Very high | 86.3 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.8 | 166.2 | -176.9 | -175.8 | 73.1 | -152 | -1.9 | 109.2 | N1139 D1140 T1157 T1158 T1217 E1306 V1307 D1308 F1394 | N1139-R1293 PolarHBondContact O-NH1 3.38Å; D1140-R1293 IonicContact OD2-CZ 2.66Å; D1140-R1293 IonicContact OD2-NH1 3.42Å; D1140-R1293 PolarHBondContact OD2-NH1 3Å; D1140-R1293 IonicContact OD2-NH2 3.18Å; D1140-R1293 PolarHBondContact OD2-NH2 3.06Å; T1157-R1293 VanDerWaalsContact O-CD 3.25Å; T1157-R1293 WeakPolarHBondContact O-CD 3.45Å; T1158-R1293 HydrophobicContact CG2-CG 3.94Å; T1217-R1293 HydrophobicContact CG2-CG 3.84Å; R1293-E1306 IonicContact CZ-OE1 3.39Å; R1293-E1306 IonicContact NE-OE1 2.68Å; R1293-E1306 PolarHBondContact NE-OE1 3.46Å; R1293-E1306 IonicContact NH2-OE1 3Å; R1293-E1306 PolarHBondContact NH2-OE1 2.96Å; R1293-V1307 WeakPolarHBondContact O-CA 3.38Å; R1293-D1308 PolarHBondContact N-OD1 3.06Å; R1293-D1308 PolarHBondContact NH2-O 3.46Å; R1293-D1308 PolarHBondContact O-N 2.92Å; R1293-F1394 HydrophobicContact CB-CE1 4.4Å; R1293-F1394 HydrophobicContact CB-CE2 3.78Å; R1293-F1394 HydrophobicContact CB-CZ 3.47Å; R1293-F1394 VanDerWaalsContact CB-CZ 3.47Å; R1293-F1394 HydrophobicContact CG-CZ 4.49Å |
| 1294 | I | 95.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 130.6 | 167.9 | -60.9 | -172.5 | 0 | 0 | 0 | 109 | F1216 T1217 I1218 L1220 L1243 L1261 L1266 V1286 E1306 V1307 | F1216-I1294 HydrophobicContact CE2-CG2 4.14Å; T1217-I1294 CarbonylContact C-O 3.57Å; T1217-I1294 VanDerWaalsContact CA-O 3.27Å; T1217-I1294 WeakPolarHBondContact CA-O 3.2Å; T1217-I1294 VanDerWaalsContact CG2-O 3.26Å; T1217-I1294 WeakPolarHBondContact CG2-O 3.45Å; I1218-I1294 PolarHBondContact N-O 3.45Å; I1218-I1294 PolarHBondContact O-N 2.87Å; L1220-I1294 HydrophobicContact CD1-CD1 3.65Å; L1220-I1294 HydrophobicContact CD1-CG1 4.23Å; L1243-I1294 HydrophobicContact CD1-CD1 3.66Å; L1261-I1294 HydrophobicContact CD2-CD1 4.11Å; L1266-I1294 HydrophobicContact CD1-CD1 4.16Å; L1266-I1294 HydrophobicContact CD1-CG2 4.01Å; L1266-I1294 HydrophobicContact CD2-CG2 3.61Å; L1266-I1294 HydrophobicContact CG-CG2 4.46Å; V1286-I1294 HydrophobicContact CG1-CD1 4.23Å; V1286-I1294 HydrophobicContact CG2-CD1 4.32Å; I1294-E1306 WeakPolarHBondContact CA-O 3.46Å; I1294-V1307 HydrophobicContact CG1-CG2 4.44Å |
| 1295 | R | 92.6 | Very high | 86.4 | Confident | 50 Ų | 50 | 33.5 Ų | 33.5 | 19% | 0.189 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 141.9 | 174.9 | -174.2 | 166 | 69.4 | 178.7 | 3.4 | 110.5 | T1217 E1306 | T1217-R1295 HydrophobicContact CG2-CB 4.05Å; T1217-R1295 HydrophobicContact CG2-CG 4.29Å; R1295-E1306 HydrophobicContact CB-CB 4.14Å; R1295-E1306 HydrophobicContact CB-CG 4.46Å; R1295-E1306 IonicContact CZ-OE1 2.93Å; R1295-E1306 IonicContact CZ-OE2 2.77Å; R1295-E1306 PolarHBondContact N-O 3.02Å; R1295-E1306 IonicContact NE-OE1 2.63Å; R1295-E1306 PolarHBondContact NE-OE1 3.29Å; R1295-E1306 IonicContact NE-OE2 2.7Å; R1295-E1306 PolarHBondContact NE-OE2 2.99Å; R1295-E1306 IonicContact NH2-OE1 3.16Å; R1295-E1306 PolarHBondContact NH2-OE1 2.95Å; R1295-E1306 IonicContact NH2-OE2 3.4Å; R1295-E1306 PolarHBondContact NH2-OE2 3.43Å; R1295-E1306 PolarHBondContact O-N 3.09Å |
| 1296 | G | 90 | Very high | 86.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 139.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1215 F1216 L1304 | I1215-G1296 WeakPolarHBondContact CA-O 3.36Å; F1216-G1296 PolarHBondContact N-O 2.84Å; F1216-G1296 PolarHBondContact O-N 3.3Å; G1296-L1304 CarbonylContact C-O 3.59Å; G1296-L1304 WeakPolarHBondContact CA-O 3.36Å |
| 1297 | I | 85.5 | Confident | 86.8 | Confident | 31 Ų | 31 | 31.1 Ų | 31.1 | 16% | 0.159 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 113.3 | 178.6 | -60.2 | 172.4 | 0 | 0 | 0 | 108.4 | D1214 I1215 I1303 L1304 | D1214-I1297 CarbonylContact O-C 3.5Å; D1214-I1297 WeakPolarHBondContact O-CA 3.26Å; I1215-I1297 HydrophobicContact CG1-CG1 4.42Å; I1215-I1297 HydrophobicContact CG1-CG2 4.33Å; I1215-I1297 HydrophobicContact CG2-CG1 4.27Å; I1297-I1303 CarbonylContact O-C 3.57Å; I1297-I1303 WeakPolarHBondContact O-CA 3.39Å; I1297-L1304 HydrophobicContact CB-CB 4.45Å; I1297-L1304 PolarHBondContact N-O 2.03Å; I1297-L1304 PolarHBondContact O-N 3.13Å |
| 1298 | R | 80.5 | Confident | 87 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 132 | 161.7 | -178.1 | -179.9 | 76.7 | 97.2 | 0.6 | 108.5 | I1211 I1212 N1213 D1214 I1303 | I1211-R1298 PolarHBondContact O-NH2 2.78Å; I1212-R1298 PolarHBondContact O-NH1 2.87Å; I1212-R1298 PolarHBondContact O-NH2 3.27Å; N1213-R1298 CarbonylContact C-O 3.55Å; N1213-R1298 WeakPolarHBondContact CA-O 3.36Å; D1214-R1298 HydrophobicContact CB-CB 4.25Å; D1214-R1298 PolarHBondContact N-O 2.91Å; D1214-R1298 PolarHBondContact O-N 2.91Å; D1214-R1298 IonicContact OD2-CZ 2.76Å; D1214-R1298 IonicContact OD2-NE 2.74Å; D1214-R1298 PolarHBondContact OD2-NE 2.94Å; D1214-R1298 IonicContact OD2-NH2 3.64Å; D1214-R1298 PolarHBondContact OD2-NH2 3.44Å; R1298-I1303 HydrophobicContact CB-CG1 4.03Å; R1298-I1303 HydrophobicContact CG-CD1 4.2Å; R1298-I1303 HydrophobicContact CG-CG1 3.82Å |
| 1299 | S | 75.3 | Confident | 87 | Confident | 49 Ų | 49 | 31.2 Ų | 31.2 | 34% | 0.343 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 104.2 | 171.7 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | N1213 N1301 Q1302 | N1213-S1299 WeakPolarHBondContact OD1-CA 3.37Å; N1213-S1299 PolarHBondContact OD1-OG 3.02Å; S1299-N1301 PolarHBondContact O-N 2.74Å; S1299-Q1302 PolarHBondContact N-O 2.95Å; S1299-Q1302 PolarHBondContact O-N 2.99Å |
| 1300 | R | 70 | Confident | 87.3 | Confident | 170 Ų | 170 | 36.2 Ų | 36.2 | 64% | 0.642 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | -111.2 | -171.1 | -60.2 | 176.2 | 179.9 | -175.4 | -1.2 | 111.6 | I1212 | I1212-R1300 HydrophobicContact CG2-CB 4.48Å; I1212-R1300 HydrophobicContact CG2-CG 3.47Å; I1212-R1300 VanDerWaalsContact CG2-CG 3.47Å; I1212-R1300 PolarHBondContact O-N 3.1Å |
| 1301 | N | 74.6 | Confident | 87.3 | Confident | 51 Ų | 51 | 35 Ų | 35 | 27% | 0.273 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 6 | -179.2 | 69.1 | -20.4 | 0 | 0 | 0 | 114.2 | S1299 R1315 L1316 | S1299-N1301 PolarHBondContact O-N 2.74Å; N1301-R1315 CarbonylContact O-C 3.52Å; N1301-R1315 WeakPolarHBondContact O-CA 3.44Å; N1301-L1316 HydrophobicContact CB-CB 4.16Å; N1301-L1316 PolarHBondContact O-N 3.11Å |
| 1302 | Q | 79.6 | Confident | 87.1 | Confident | 50 Ų | 50 | 36.7 Ų | 36.7 | 23% | 0.234 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 134.3 | 175 | -55.5 | -164 | -7.6 | 0 | 0 | 110.5 | S1299 R1315 | S1299-Q1302 PolarHBondContact N-O 2.95Å; S1299-Q1302 PolarHBondContact O-N 2.99Å; Q1302-R1315 HydrophobicContact CG-CG 4.28Å |
| 1303 | I | 84.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 128.6 | 176.2 | -67.1 | 169.9 | 0 | 0 | 0 | 109 | M1268 F1270 I1279 I1297 R1298 V1313 Y1314 L1316 | M1268-I1303 HydrophobicContact CE-CG2 4.5Å; M1268-I1303 HydrophobicContact SD-CG2 3.84Å; F1270-I1303 HydrophobicContact CD1-CD1 4.41Å; F1270-I1303 HydrophobicContact CE1-CD1 3.37Å; F1270-I1303 HydrophobicContact CE2-CD1 4.28Å; F1270-I1303 HydrophobicContact CZ-CD1 3.28Å; I1279-I1303 HydrophobicContact CD1-CB 3.98Å; I1279-I1303 HydrophobicContact CD1-CD1 3.56Å; I1279-I1303 HydrophobicContact CD1-CG1 4.35Å; I1279-I1303 HydrophobicContact CD1-CG2 3.89Å; I1297-I1303 CarbonylContact O-C 3.57Å; I1297-I1303 WeakPolarHBondContact O-CA 3.39Å; R1298-I1303 HydrophobicContact CB-CG1 4.03Å; R1298-I1303 HydrophobicContact CG-CD1 4.2Å; R1298-I1303 HydrophobicContact CG-CG1 3.82Å; I1303-V1313 CarbonylContact O-C 3.57Å; I1303-V1313 WeakPolarHBondContact O-CA 3.31Å; I1303-Y1314 PolarHBondContact N-O 2.94Å; I1303-Y1314 PolarHBondContact O-N 3.35Å; I1303-L1316 HydrophobicContact CD1-CD1 4.43Å |
| 1304 | L | 89.1 | Confident | 86.3 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.2 | 172.7 | 179.9 | 156.9 | 0 | 0 | 0 | 108.4 | F1118 G1296 I1297 E1306 T1312 V1313 | F1118-L1304 HydrophobicContact CD1-CD1 3.75Å; F1118-L1304 HydrophobicContact CE1-CD1 3.73Å; G1296-L1304 CarbonylContact C-O 3.59Å; G1296-L1304 WeakPolarHBondContact CA-O 3.36Å; I1297-L1304 HydrophobicContact CB-CB 4.45Å; I1297-L1304 PolarHBondContact N-O 2.03Å; I1297-L1304 PolarHBondContact O-N 3.13Å; L1304-E1306 HydrophobicContact CD2-CB 4.07Å; L1304-T1312 WeakPolarHBondContact CA-O 3.14Å; L1304-V1313 HydrophobicContact CB-CG2 4.32Å; L1304-V1313 HydrophobicContact CD1-CG2 4.03Å; L1304-V1313 HydrophobicContact CG-CG2 4.1Å |
| 1305 | L | 92.6 | Very high | 85.5 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 142.9 | 167.6 | -71.8 | -179.9 | 0 | 0 | 0 | 109.8 | F1216 L1266 M1268 I1279 Q1311 T1312 | F1216-L1305 HydrophobicContact CZ-CD2 3.96Å; L1266-L1305 HydrophobicContact CD2-CB 4.38Å; L1266-L1305 HydrophobicContact CD2-CD2 4.44Å; M1268-L1305 HydrophobicContact CB-CD1 3.75Å; M1268-L1305 HydrophobicContact CB-CD2 4.07Å; M1268-L1305 HydrophobicContact CB-CG 4.41Å; M1268-L1305 HydrophobicContact CG-CD2 4.48Å; M1268-L1305 HydrophobicContact SD-CD2 3.72Å; M1268-L1305 HydrophobicContact SD-CG 4.33Å; I1279-L1305 HydrophobicContact CB-CD1 4.47Å; I1279-L1305 HydrophobicContact CG2-CD1 3.81Å; L1305-Q1311 CarbonylContact O-C 3.58Å; L1305-Q1311 WeakPolarHBondContact O-CA 3.42Å; L1305-T1312 PolarHBondContact N-O 2.83Å; L1305-T1312 PolarHBondContact O-N 3.21Å |
| 1306 | E | 93.3 | Very high | 84.5 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 137.4 | -175.2 | 174.3 | -169.3 | 123.6 | 0 | 0 | 110.9 | R1293 I1294 R1295 L1304 Y1310 | R1293-E1306 IonicContact CZ-OE1 3.39Å; R1293-E1306 IonicContact NE-OE1 2.68Å; R1293-E1306 PolarHBondContact NE-OE1 3.46Å; R1293-E1306 IonicContact NH2-OE1 3Å; R1293-E1306 PolarHBondContact NH2-OE1 2.96Å; I1294-E1306 WeakPolarHBondContact CA-O 3.46Å; R1295-E1306 HydrophobicContact CB-CB 4.14Å; R1295-E1306 HydrophobicContact CB-CG 4.46Å; R1295-E1306 IonicContact CZ-OE1 2.93Å; R1295-E1306 IonicContact CZ-OE2 2.77Å; R1295-E1306 PolarHBondContact N-O 3.02Å; R1295-E1306 IonicContact NE-OE1 2.63Å; R1295-E1306 PolarHBondContact NE-OE1 3.29Å; R1295-E1306 IonicContact NE-OE2 2.7Å; R1295-E1306 PolarHBondContact NE-OE2 2.99Å; R1295-E1306 IonicContact NH2-OE1 3.16Å; R1295-E1306 PolarHBondContact NH2-OE1 2.95Å; R1295-E1306 IonicContact NH2-OE2 3.4Å; R1295-E1306 PolarHBondContact NH2-OE2 3.43Å; R1295-E1306 PolarHBondContact O-N 3.09Å; L1304-E1306 HydrophobicContact CD2-CB 4.07Å; E1306-Y1310 CarbonylContact C-O 3.27Å; E1306-Y1310 VanDerWaalsContact CA-O 3.23Å; E1306-Y1310 WeakPolarHBondContact CA-O 3.21Å |
| 1307 | V | 92.8 | Very high | 83.2 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 117.3 | 167.8 | -175.5 | 0 | 0 | 0 | 0 | 106.9 | L1266 P1282 I1284 V1286 H1292 R1293 I1294 Q1309 Y1310 | L1266-V1307 HydrophobicContact CB-CG2 4.02Å; L1266-V1307 HydrophobicContact CD2-CG2 3.64Å; P1282-V1307 HydrophobicContact CB-CB 4.42Å; P1282-V1307 HydrophobicContact CB-CG2 4.39Å; P1282-V1307 HydrophobicContact CG-CB 4.42Å; P1282-V1307 HydrophobicContact CG-CG2 4.23Å; I1284-V1307 HydrophobicContact CB-CB 4.18Å; I1284-V1307 HydrophobicContact CB-CG1 3.88Å; I1284-V1307 HydrophobicContact CG1-CB 4.33Å; I1284-V1307 HydrophobicContact CG1-CG1 4.38Å; I1284-V1307 HydrophobicContact CG2-CG1 3.79Å; V1286-V1307 HydrophobicContact CG2-CG1 4.25Å; H1292-V1307 HydrophobicContact CB-CG1 4.47Å; R1293-V1307 WeakPolarHBondContact O-CA 3.38Å; I1294-V1307 HydrophobicContact CG1-CG2 4.44Å; V1307-Q1309 PolarHBondContact O-N 3.2Å; V1307-Y1310 PolarHBondContact N-O 3.3Å; V1307-Y1310 PolarHBondContact O-N 2.99Å |
| 1308 | D | 90.9 | Very high | 81.9 | Confident | 11 Ų | 11 | 62 Ų | 62 | 6% | 0.059 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -93.1 | -172.3 | -56.4 | -25.4 | 0 | 0 | 0 | 114 | H1292 R1293 P1393 F1394 | H1292-D1308 WeakPolarHBondContact CA-OD1 3.31Å; H1292-D1308 WeakPolarHBondContact CB-OD1 3.5Å; H1292-D1308 IonicContact CE1-OD2 2.74Å; H1292-D1308 IonicContact CG-OD1 3.22Å; H1292-D1308 IonicContact CG-OD2 3.33Å; H1292-D1308 IonicContact ND1-OD1 2.68Å; H1292-D1308 IonicContact ND1-OD2 3.04Å; H1292-D1308 PolarHBondContact ND1-OD2 3.07Å; R1293-D1308 PolarHBondContact N-OD1 3.06Å; R1293-D1308 PolarHBondContact NH2-O 3.46Å; R1293-D1308 PolarHBondContact O-N 2.92Å; D1308-P1393 HydrophobicContact CB-CG 4.01Å; D1308-F1394 HydrophobicContact CB-CE2 4.22Å; D1308-F1394 HydrophobicContact CB-CZ 4.23Å; D1308-F1394 WeakPolarHBondContact OD1-CE2 3.35Å |
| 1309 | Q | 85.1 | Confident | 80.6 | Confident | 99 Ų | 99 | 70.5 Ų | 70.5 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -4.5 | 179.3 | 63.4 | -177.2 | 0.4 | 0 | 0 | 112.7 | V1307 P1393 | V1307-Q1309 PolarHBondContact O-N 3.2Å; Q1309-P1393 HydrophobicContact CB-CG 4.25Å; Q1309-P1393 HydrophobicContact CG-CG 4.5Å |
| 1310 | Y | 90.9 | Very high | 79.5 | Confident | 112 Ų | 112 | 70.1 Ų | 70.1 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 127.5 | -178.6 | -56.8 | -82.3 | 0 | 0 | 0 | 108.7 | P1282 I1284 E1306 V1307 | P1282-Y1310 WeakPolarHBondContact CG-O 3.33Å; I1284-Y1310 HydrophobicContact CD1-CD2 3.56Å; I1284-Y1310 HydrophobicContact CD1-CE2 3.75Å; I1284-Y1310 HydrophobicContact CD1-CG 4Å; I1284-Y1310 HydrophobicContact CG1-CD2 3.68Å; I1284-Y1310 HydrophobicContact CG1-CE2 4.33Å; I1284-Y1310 HydrophobicContact CG1-CG 4.09Å; E1306-Y1310 CarbonylContact C-O 3.27Å; E1306-Y1310 VanDerWaalsContact CA-O 3.23Å; E1306-Y1310 WeakPolarHBondContact CA-O 3.21Å; V1307-Y1310 PolarHBondContact N-O 3.3Å; V1307-Y1310 PolarHBondContact O-N 2.99Å |
| 1311 | Q | 89.3 | Confident | 78.4 | Confident | 73 Ų | 73 | 65 Ų | 65 | 34% | 0.341 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 151.1 | -177.4 | 61 | -180 | -24.9 | 0 | 0 | 111.6 | L1305 | L1305-Q1311 CarbonylContact O-C 3.58Å; L1305-Q1311 WeakPolarHBondContact O-CA 3.42Å |
| 1312 | T | 89.8 | Confident | 77.2 | Confident | 37 Ų | 37 | 63 Ų | 63 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 123.1 | 174.4 | -61 | 0 | 0 | 0 | 0 | 107.8 | L1304 L1305 Y1314 | L1304-T1312 WeakPolarHBondContact CA-O 3.14Å; L1305-T1312 PolarHBondContact N-O 2.83Å; L1305-T1312 PolarHBondContact O-N 3.21Å; T1312-Y1314 HydrophobicContact CG2-CD2 3.97Å; T1312-Y1314 HydrophobicContact CG2-CE2 3.71Å |
| 1313 | V | 85.8 | Confident | 76 | Confident | 30 Ų | 30 | 63.8 Ų | 63.8 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 122.6 | -175.8 | -173 | 0 | 0 | 0 | 0 | 109.6 | Y1119 I1303 L1304 | Y1119-V1313 HydrophobicContact CE2-CB 4.26Å; Y1119-V1313 HydrophobicContact CE2-CG2 4.33Å; I1303-V1313 CarbonylContact O-C 3.57Å; I1303-V1313 WeakPolarHBondContact O-CA 3.31Å; L1304-V1313 HydrophobicContact CB-CG2 4.32Å; L1304-V1313 HydrophobicContact CD1-CG2 4.03Å; L1304-V1313 HydrophobicContact CG-CG2 4.1Å |
| 1314 | Y | 84.2 | Confident | 74.7 | Confident | 100 Ų | 100 | 63.9 Ų | 63.9 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 144.7 | 173.2 | -87.8 | -102.1 | 0 | 0 | 0 | 110.6 | I1279 I1303 T1312 | I1279-Y1314 HydrophobicContact CD1-CG 4.34Å; I1279-Y1314 HydrophobicContact CG1-CG 4.48Å; I1279-Y1314 HydrophobicContact CG2-CD2 3.48Å; I1279-Y1314 VanDerWaalsContact CG2-CD2 3.48Å; I1279-Y1314 HydrophobicContact CG2-CE2 3.76Å; I1279-Y1314 HydrophobicContact CG2-CG 3.96Å; I1303-Y1314 PolarHBondContact N-O 2.94Å; I1303-Y1314 PolarHBondContact O-N 3.35Å; T1312-Y1314 HydrophobicContact CG2-CD2 3.97Å; T1312-Y1314 HydrophobicContact CG2-CE2 3.71Å |
| 1315 | R | 78.9 | Confident | 73.4 | Confident | 136 Ų | 136 | 64.5 Ų | 64.5 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 127.5 | 169.6 | -65.7 | -174.6 | 173.9 | 162.8 | 0.5 | 108.8 | N1301 Q1302 | N1301-R1315 CarbonylContact O-C 3.52Å; N1301-R1315 WeakPolarHBondContact O-CA 3.44Å; Q1302-R1315 HydrophobicContact CG-CG 4.28Å |
| 1316 | L | 71.5 | Confident | 72.5 | Confident | 22 Ų | 22 | 64.6 Ų | 64.6 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | trans | -83.4 | 130.9 | 175.5 | -52.1 | -178.6 | 0 | 0 | 0 | 108.9 | F1270 I1277 N1301 I1303 N1318 F1320 | F1270-L1316 HydrophobicContact CE2-CD1 4.18Å; F1270-L1316 HydrophobicContact CZ-CD1 4.09Å; I1277-L1316 HydrophobicContact CD1-CD1 4.11Å; I1277-L1316 HydrophobicContact CD1-CD2 4.06Å; I1277-L1316 HydrophobicContact CG2-CD2 4.17Å; N1301-L1316 HydrophobicContact CB-CB 4.16Å; N1301-L1316 PolarHBondContact O-N 3.11Å; I1303-L1316 HydrophobicContact CD1-CD1 4.43Å; L1316-N1318 VanDerWaalsContact C-N 3.27Å; L1316-N1318 PolarHBondContact O-N 2.65Å; L1316-F1320 HydrophobicContact CD1-CD2 4.39Å | ||
| 1317 | Y | 63.5 | Low | 71.7 | Confident | 236 Ų | 236 | 68.2 Ų | 68.2 | 93% | 0.925 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -71.2 | -19.5 | -175.7 | -76.7 | -83.8 | 0 | 0 | 0 | 114.1 | ||
| 1318 | N | 58.4 | Low | 71.4 | Confident | 101 Ų | 101 | 69.4 Ų | 69.4 | 54% | 0.54 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -102.5 | 144.9 | 174.7 | -66.3 | -8.4 | 0 | 0 | 0 | 110.6 | L1316 F1320 | L1316-N1318 VanDerWaalsContact C-N 3.27Å; L1316-N1318 PolarHBondContact O-N 2.65Å; N1318-F1320 HydrophobicContact CB-CD2 3.84Å; N1318-F1320 HydrophobicContact CB-CE2 3.71Å; N1318-F1320 HydrophobicContact CB-CZ 4.27Å; N1318-F1320 PolarHBondContact O-N 2.88Å |
| 1319 | E | 51.6 | Low | 71.3 | Confident | 183 Ų | 183 | 68.9 Ų | 68.9 | 86% | 0.855 | 32% | 0.323 | S | S | * | . | trans | -73.3 | 74.6 | 165.3 | -67.4 | -159.3 | 137.4 | 0 | 0 | 110.7 | G1321 | E1319-G1321 PolarHBondContact O-N 2.88Š| ||
| 1320 | F | 51.8 | Low | 71.5 | Confident | 41 Ų | 41 | 65.3 Ų | 65.3 | 18% | 0.18 | 31% | 0.305 | C | S | . | . | trans | -67.6 | 82.3 | 164.9 | -72.6 | -72.2 | 0 | 0 | 0 | 109.5 | I1277 L1316 N1318 S1322 | I1277-F1320 HydrophobicContact CD1-CE2 4.13Å; L1316-F1320 HydrophobicContact CD1-CD2 4.39Å; N1318-F1320 HydrophobicContact CB-CD2 3.84Å; N1318-F1320 HydrophobicContact CB-CE2 3.71Å; N1318-F1320 HydrophobicContact CB-CZ 4.27Å; N1318-F1320 PolarHBondContact O-N 2.88Å; F1320-S1322 PolarHBondContact O-N 2.9Å; F1320-S1322 VanDerWaalsContact O-N 3.16Å | ||
| 1321 | G | 47.9 | Very low | 71.6 | Confident | 62 Ų | 62 | 60 Ų | 60 | 64% | 0.639 | 28% | 0.284 | S | S | * | . | trans | -69.4 | 4.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1319 | E1319-G1321 PolarHBondContact O-N 2.88Š| ||
| 1322 | S | 50.3 | Low | 71.4 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | trans | -57.4 | 133.2 | 177.7 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | D1273 F1320 | D1273-S1322 WeakPolarHBondContact OD2-CB 3.36Å; F1320-S1322 PolarHBondContact O-N 2.9Å; F1320-S1322 VanDerWaalsContact O-N 3.16Å | ||
| 1323 | L | 54.3 | Low | 71.2 | Confident | 66 Ų | 66 | 56 Ų | 56 | 35% | 0.346 | 26% | 0.263 | S | S | . | . | trans | -105.9 | 125.4 | -169 | -60.3 | 140.4 | 0 | 0 | 0 | 110.7 | Y1210 I1212 | Y1210-L1323 HydrophobicContact CD1-CB 3.53Å; Y1210-L1323 HydrophobicContact CD1-CD1 4.34Å; Y1210-L1323 HydrophobicContact CG-CB 3.9Å; Y1210-L1323 HydrophobicContact CG-CD1 4.1Å; Y1210-L1323 HydrophobicContact CG-CG 4.49Å; I1212-L1323 HydrophobicContact CB-CD2 4.46Å; I1212-L1323 HydrophobicContact CD1-CD2 4.15Å; I1212-L1323 HydrophobicContact CG1-CD2 3.3Å | ||
| 1324 | L | 56.1 | Low | 71 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -77.4 | 129.6 | 173.2 | -87.2 | 163.7 | 0 | 0 | 0 | 109.7 | I1211 D1214 L1257 L1272 | I1211-L1324 VanDerWaalsContact CB-O 3.3Å; I1211-L1324 WeakPolarHBondContact CB-O 3.49Å; I1211-L1324 PolarHBondContact N-O 3.48Å; I1211-L1324 PolarHBondContact O-N 2.9Å; D1214-L1324 WeakPolarHBondContact OD2-CD1 3.45Å; L1257-L1324 HydrophobicContact CD1-CD1 4.31Å; L1272-L1324 HydrophobicContact CD2-CD1 4.4Å; L1272-L1324 HydrophobicContact CD2-CD2 4.16Å; L1272-L1324 HydrophobicContact CD2-CG 3.9Å |
| 1325 | K | 62.8 | Low | 70.5 | Confident | 23 Ų | 23 | 52 Ų | 52 | 10% | 0.1 | 25% | 0.25 | C | C | . | . | trans | -114.1 | 89.8 | 175.1 | -177.6 | 172.8 | -178.8 | 168.8 | 0 | 108.8 | N1207 D1208 Y1210 N1248 R1327 | N1207-K1325 WeakPolarHBondContact O-CE 2.95Å; D1208-K1325 IonicContact OD1-NZ 3.91Å; D1208-K1325 PolarHBondContact OD1-NZ 2.88Å; Y1210-K1325 HydrophobicContact CD1-CB 3.99Å; Y1210-K1325 HydrophobicContact CE1-CB 4.04Å; Y1210-K1325 HydrophobicContact CE1-CD 4.17Å; N1248-K1325 WeakPolarHBondContact CB-O 3.35Å; K1325-R1327 PolarHBondContact O-N 2.76Å | ||
| 1326 | T | 72.7 | Confident | 70.1 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | trans | -75.9 | 113.6 | -178.2 | -60.2 | 0 | 0 | 0 | 0 | 110.4 | I1204 N1207 L1329 Y1352 | I1204-T1326 HydrophobicContact CD1-CG2 4.29Å; N1207-T1326 PolarHBondContact ND2-O 2.92Å; T1326-L1329 HydrophobicContact CG2-CB 4.35Å; T1326-Y1352 HydrophobicContact CG2-CE1 4.1Å; T1326-Y1352 PolarHBondContact OG1-OH 2.93Å | ||
| 1327 | R | 77.8 | Confident | 69.8 | Low | 86 Ų | 86 | 48.9 Ų | 48.9 | 33% | 0.325 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -103.4 | -43.1 | 170.7 | -178.1 | -179.7 | 179 | 128.4 | 13.9 | 111.6 | I1204 E1247 K1325 | I1204-R1327 PolarHBondContact N-O 3.35Å; E1247-R1327 PolarHBondContact O-N 2.77Å; K1325-R1327 PolarHBondContact O-N 2.76Å |
| 1328 | Y | 85.5 | Confident | 69.3 | Low | 25 Ų | 25 | 40.4 Ų | 40.4 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 140.4 | 176.1 | -66.4 | -78.7 | 0 | 0 | 0 | 110.1 | Q1201 F1202 Q1203 T1246 E1247 Q1249 | Q1201-Y1328 HydrophobicContact CG-CD1 4.48Å; Q1201-Y1328 VanDerWaalsContact NE2-CD1 3.31Å; F1202-Y1328 WeakPolarHBondContact O-CA 2.93Å; Q1203-Y1328 HydrophobicContact CB-CD1 3.98Å; Q1203-Y1328 HydrophobicContact CB-CE1 3.66Å; Q1203-Y1328 HydrophobicContact CG-CD1 4.34Å; Q1203-Y1328 HydrophobicContact CG-CE1 3.68Å; Q1203-Y1328 PolarHBondContact OE1-OH 3.23Å; T1246-Y1328 WeakPolarHBondContact CA-O 3.38Å; E1247-Y1328 PolarHBondContact N-O 2.87Å; E1247-Y1328 PolarHBondContact O-N 3.11Å; E1247-Y1328 VanDerWaalsContact O-N 3.14Å; Q1249-Y1328 HydrophobicContact CB-CD2 4.23Å; Q1249-Y1328 HydrophobicContact CB-CE2 4.02Å; Q1249-Y1328 HydrophobicContact CG-CD2 3.99Å; Q1249-Y1328 HydrophobicContact CG-CE2 4.04Å |
| 1329 | L | 88.9 | Confident | 69.3 | Low | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139.9 | 174.5 | -177.2 | 152.2 | 0 | 0 | 0 | 108.6 | Q1201 F1202 L1244 F1245 T1246 T1326 Y1352 L1357 | Q1201-L1329 CarbonylContact C-O 3.57Å; Q1201-L1329 WeakPolarHBondContact CA-O 3.5Å; F1202-L1329 HydrophobicContact CB-CB 4.34Å; F1202-L1329 HydrophobicContact CD2-CD2 3.45Å; F1202-L1329 VanDerWaalsContact CD2-CD2 3.45Å; F1202-L1329 HydrophobicContact CE2-CD2 3.88Å; F1202-L1329 HydrophobicContact CG-CD2 4.22Å; F1202-L1329 PolarHBondContact N-O 2.9Å; F1202-L1329 PolarHBondContact O-N 3.42Å; L1244-L1329 HydrophobicContact CD1-CD1 4.03Å; L1244-L1329 HydrophobicContact CD1-CD2 3.68Å; L1244-L1329 HydrophobicContact CD1-CG 3.81Å; F1245-L1329 CarbonylContact O-C 3.53Å; F1245-L1329 WeakPolarHBondContact O-CA 3.45Å; T1246-L1329 HydrophobicContact CG2-CB 4.46Å; T1246-L1329 HydrophobicContact CG2-CD1 3.84Å; T1246-L1329 HydrophobicContact CG2-CG 3.93Å; T1326-L1329 HydrophobicContact CG2-CB 4.35Å; L1329-Y1352 HydrophobicContact CD1-CD1 3.28Å; L1329-Y1352 HydrophobicContact CD1-CD2 4.17Å; L1329-Y1352 HydrophobicContact CD1-CE1 3.68Å; L1329-Y1352 HydrophobicContact CD1-CG 3.55Å; L1329-L1357 HydrophobicContact CD1-CD1 3.94Å; L1329-L1357 HydrophobicContact CD1-CD2 4.41Å; L1329-L1357 HydrophobicContact CD2-CD1 3.42Å; L1329-L1357 VanDerWaalsContact CD2-CD1 3.42Å; L1329-L1357 HydrophobicContact CD2-CD2 3.95Å; L1329-L1357 HydrophobicContact CD2-CG 4.32Å; L1329-L1357 HydrophobicContact CG-CD1 4.35Å |
| 1330 | W | 89.8 | Confident | 70 | Confident | 24 Ų | 24 | 34.2 Ų | 34.2 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132.7 | -174.6 | -55.5 | 79.6 | 0 | 0 | 0 | 109.7 | F1199 V1200 Q1201 L1244 F1245 E1247 H1333 P1335 | F1199-W1330 HydrophobicContact CD2-CE3 4.22Å; F1199-W1330 HydrophobicContact CD2-CZ3 4.35Å; F1199-W1330 HydrophobicContact CE2-CE3 4.25Å; F1199-W1330 AromaticContact CE2-CZ3 3.91Å; F1199-W1330 HydrophobicContact CE2-CZ3 3.91Å; V1200-W1330 CarbonylContact O-C 3.45Å; V1200-W1330 WeakPolarHBondContact O-CA 3.37Å; Q1201-W1330 HydrophobicContact CB-CD2 4.26Å; Q1201-W1330 HydrophobicContact CB-CE3 3.78Å; Q1201-W1330 HydrophobicContact CB-CH2 4.48Å; Q1201-W1330 HydrophobicContact CB-CZ3 3.89Å; Q1201-W1330 HydrophobicContact CG-CD2 3.85Å; Q1201-W1330 HydrophobicContact CG-CE3 3.79Å; Q1201-W1330 HydrophobicContact CG-CH2 3.97Å; Q1201-W1330 HydrophobicContact CG-CZ2 4.02Å; Q1201-W1330 HydrophobicContact CG-CZ3 3.84Å; Q1201-W1330 VanDerWaalsContact NE2-CH2 3.32Å; L1244-W1330 WeakPolarHBondContact CA-O 3.42Å; F1245-W1330 HydrophobicContact CB-CB 4.33Å; F1245-W1330 AromaticContact CD1-CD1 3.74Å; F1245-W1330 HydrophobicContact CD1-CG 4.42Å; F1245-W1330 PolarHBondContact N-O 3.02Å; F1245-W1330 PolarHBondContact O-N 2.79Å; E1247-W1330 PolarHBondContact OE1-NE1 3.25Å; W1330-H1333 VanDerWaalsContact CB-O 3.27Å; W1330-H1333 WeakPolarHBondContact CB-O 3.48Å; W1330-P1335 HydrophobicContact CD2-CG 4.4Å; W1330-P1335 HydrophobicContact CZ2-CB 4.16Å; W1330-P1335 HydrophobicContact CZ2-CG 3.86Å |
| 1331 | L | 91.6 | Very high | 70.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 117.9 | 177.9 | -173 | 71.2 | 0 | 0 | 0 | 108.2 | L1171 F1173 F1199 V1200 F1202 V1347 V1350 | L1171-L1331 HydrophobicContact CD1-CD2 4.19Å; F1173-L1331 HydrophobicContact CZ-CD2 4.01Å; F1173-L1331 HydrophobicContact CZ-CG 4.07Å; F1199-L1331 WeakPolarHBondContact CA-O 3.31Å; F1199-L1331 WeakPolarHBondContact CB-O 3.38Å; V1200-L1331 HydrophobicContact CB-CB 4.41Å; V1200-L1331 PolarHBondContact N-O 2.86Å; V1200-L1331 PolarHBondContact O-N 3.5Å; F1202-L1331 HydrophobicContact CE2-CB 4.1Å; L1331-V1347 HydrophobicContact CD1-CG1 4.49Å; L1331-V1350 HydrophobicContact CD1-CG1 4.05Å; L1331-V1350 HydrophobicContact CD1-CG2 4.39Å; L1331-V1350 HydrophobicContact CD2-CG2 4.5Å |
| 1332 | G | 86.7 | Confident | 71.8 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 84.9 | 2.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | T1242 L1243 | T1242-G1332 CarbonylContact O-C 3.54Å; T1242-G1332 WeakPolarHBondContact O-CA 3.43Å; L1243-G1332 PolarHBondContact O-N 3.46Å |
| 1333 | H | 84.4 | Confident | 73.4 | Confident | 25 Ų | 25 | 33.2 Ų | 33.2 | 12% | 0.116 | 16% | 0.162 | C | C | . | . | trans | -152.4 | 156.2 | -180 | -178.7 | 62.1 | 0 | 0 | 0 | 112.4 | F1199 T1242 W1330 F1342 | F1199-H1333 HydrophobicContact CB-CB 3.64Å; F1199-H1333 HydrophobicContact CD1-CB 4.08Å; F1199-H1333 HydrophobicContact CD2-CB 3.88Å; F1199-H1333 HydrophobicContact CG-CB 3.6Å; T1242-H1333 VanDerWaalsContact CG2-C 3.47Å; T1242-H1333 WeakPolarHBondContact CG2-O 3.37Å; W1330-H1333 VanDerWaalsContact CB-O 3.27Å; W1330-H1333 WeakPolarHBondContact CB-O 3.48Å; H1333-F1342 AromaticContact ND1-CE1 3.94Å | ||
| 1334 | S | 82.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -133 | 116.3 | 170.8 | 168.9 | 0 | 0 | 0 | 0 | 109.9 | F1245 L1336 S1337 | F1245-S1334 WeakPolarHBondContact CD2-OG 3.13Å; F1245-S1334 VanDerWaalsContact CE2-OG 3.27Å; F1245-S1334 WeakPolarHBondContact CE2-OG 3.32Å; S1334-L1336 PolarHBondContact O-N 3.23Å; S1334-L1336 VanDerWaalsContact O-N 3.14Å; S1334-S1337 PolarHBondContact O-N 3.12Å; S1334-S1337 PolarHBondContact OG-OG 2.8Å; S1334-S1337 VanDerWaalsContact OG-OG 3.11Å | ||
| 1335 | P | 74.3 | Confident | 76.3 | Confident | 47 Ų | 47 | 33.1 Ų | 33.1 | 31% | 0.305 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -12 | -179.6 | 28.8 | -37.9 | 0 | 0 | 0 | 114.2 | F1245 W1330 | F1245-P1335 HydrophobicContact CD1-CG 4.18Å; F1245-P1335 HydrophobicContact CE1-CG 3.81Å; W1330-P1335 HydrophobicContact CD2-CG 4.4Å; W1330-P1335 HydrophobicContact CZ2-CB 4.16Å; W1330-P1335 HydrophobicContact CZ2-CG 3.86Å |
| 1336 | L | 70.3 | Confident | 77.7 | Confident | 74 Ų | 74 | 35.2 Ų | 35.2 | 39% | 0.387 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -5.6 | 173 | -59.9 | -173.4 | 0 | 0 | 0 | 113.3 | F1245 Y1256 S1334 | F1245-L1336 HydrophobicContact CE2-CB 4.43Å; F1245-L1336 HydrophobicContact CE2-CD1 4.18Å; F1245-L1336 HydrophobicContact CE2-CG 4.34Å; F1245-L1336 HydrophobicContact CZ-CB 4.22Å; F1245-L1336 HydrophobicContact CZ-CD1 3.64Å; F1245-L1336 HydrophobicContact CZ-CG 3.7Å; Y1256-L1336 HydrophobicContact CD1-CD1 3.51Å; Y1256-L1336 HydrophobicContact CE1-CD1 3.57Å; Y1256-L1336 HydrophobicContact CG-CD1 4.05Å; S1334-L1336 PolarHBondContact O-N 3.23Å; S1334-L1336 VanDerWaalsContact O-N 3.14Å |
| 1337 | S | 65.7 | Low | 78.7 | Confident | 18 Ų | 18 | 35.1 Ų | 35.1 | 13% | 0.126 | 17% | 0.167 | C | C | . | . | trans | -124.8 | 87.4 | -167.2 | -58 | 0 | 0 | 0 | 0 | 112.7 | H1258 S1334 F1339 S1340 | H1258-S1337 PolarHBondContact CE1-OG 3.46Å; S1334-S1337 PolarHBondContact O-N 3.12Å; S1334-S1337 PolarHBondContact OG-OG 2.8Å; S1334-S1337 VanDerWaalsContact OG-OG 3.11Å; S1337-F1339 PolarHBondContact O-N 3.17Å; S1337-S1340 PolarHBondContact O-N 2.79Å | ||
| 1338 | N | 52.2 | Low | 79.4 | Confident | 59 Ų | 59 | 31.1 Ų | 31.1 | 32% | 0.316 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 2.5 | -178.1 | -72.4 | -76.5 | 0 | 0 | 0 | 115.9 | P1186 | P1186-N1338 WeakPolarHBondContact CB-ND2 3.28Å; P1186-N1338 HydrophobicContact CG-CB 4.12Å |
| 1339 | F | 57.3 | Low | 79.7 | Confident | 142 Ų | 142 | 30.6 Ų | 30.6 | 62% | 0.623 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -125.9 | 10.3 | -177.1 | -58.7 | -74.7 | 0 | 0 | 0 | 113.1 | S1337 | S1337-F1339 PolarHBondContact O-N 3.17Š|
| 1340 | S | 66.4 | Low | 80 | Confident | 11 Ų | 11 | 30.7 Ų | 30.7 | 8% | 0.077 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 125.4 | 177.2 | 78.9 | 0 | 0 | 0 | 0 | 111.4 | F1240 T1242 S1337 | F1240-S1340 VanDerWaalsContact CE2-CB 3.41Å; F1240-S1340 CarbonylContact O-C 3.44Å; F1240-S1340 WeakPolarHBondContact O-CA 3.1Å; F1240-S1340 WeakPolarHBondContact O-CB 3.38Å; T1242-S1340 VanDerWaalsContact OG1-CB 3.23Å; T1242-S1340 WeakPolarHBondContact OG1-CB 3.48Å; T1242-S1340 PolarHBondContact OG1-OG 3.36Å; S1337-S1340 PolarHBondContact O-N 2.79Å |
| 1341 | D | 65 | Low | 80 | Confident | 50 Ų | 50 | 31.6 Ų | 31.6 | 27% | 0.267 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 150 | 167 | -124.9 | -1.7 | 0 | 0 | 0 | 109.8 | K1225 F1240 I1241 T1242 | K1225-D1341 WeakPolarHBondContact CE-OD2 3.39Å; K1225-D1341 IonicContact NZ-OD2 3.24Å; K1225-D1341 PolarHBondContact NZ-OD2 3.17Å; F1240-D1341 PolarHBondContact O-N 3.16Å; I1241-D1341 WeakPolarHBondContact CA-O 3.47Å; I1241-D1341 HydrophobicContact CG1-CB 4.02Å; T1242-D1341 PolarHBondContact N-O 2.76Å |
| 1342 | F | 73.6 | Confident | 79.9 | Confident | 40 Ų | 40 | 31.7 Ų | 31.7 | 18% | 0.175 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -83.2 | 157.6 | 178.8 | -63.2 | -89.5 | 0 | 0 | 0 | 110.8 | T1197 F1199 H1333 Q1344 | T1197-F1342 HydrophobicContact CG2-CD2 3.51Å; T1197-F1342 HydrophobicContact CG2-CE2 3.54Å; T1197-F1342 HydrophobicContact CG2-CG 4.09Å; T1197-F1342 HydrophobicContact CG2-CZ 4.14Å; F1199-F1342 HydrophobicContact CD1-CD1 4.25Å; F1199-F1342 AromaticContact CD1-CE1 3.79Å; F1199-F1342 HydrophobicContact CD1-CE1 3.79Å; F1199-F1342 HydrophobicContact CE1-CE1 4.17Å; H1333-F1342 AromaticContact ND1-CE1 3.94Å; F1342-Q1344 PolarHBondContact O-N 2.82Å |
| 1343 | I | 83.5 | Confident | 79.7 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 132.3 | 169.6 | -60.2 | 176 | 0 | 0 | 0 | 108.4 | F1173 L1222 I1241 L1243 V1347 | F1173-I1343 HydrophobicContact CB-CB 4.16Å; F1173-I1343 HydrophobicContact CB-CG2 3.98Å; F1173-I1343 WeakPolarHBondContact CB-O 3.3Å; F1173-I1343 HydrophobicContact CD1-CB 3.98Å; F1173-I1343 HydrophobicContact CD1-CG2 4.44Å; F1173-I1343 HydrophobicContact CE1-CD1 4.38Å; F1173-I1343 HydrophobicContact CG-CB 4.19Å; F1173-I1343 HydrophobicContact CG-CG2 4.16Å; L1222-I1343 HydrophobicContact CD2-CG2 3.82Å; I1241-I1343 HydrophobicContact CG2-CG1 3.87Å; L1243-I1343 HydrophobicContact CD2-CD1 4.19Å; L1243-I1343 HydrophobicContact CD2-CG1 4.34Å; I1343-V1347 HydrophobicContact CD1-CG2 3.86Å; I1343-V1347 HydrophobicContact CG2-CG2 3.74Å |
| 1344 | Q | 83.5 | Confident | 79.2 | Confident | 66 Ų | 66 | 35.2 Ų | 35.2 | 31% | 0.308 | 19% | 0.189 | S | C | . | . | trans | -124.2 | 122.9 | 166.6 | -164 | -170.3 | -48.1 | 0 | 0 | 109.5 | F1173 L1222 D1223 F1342 | F1173-Q1344 WeakPolarHBondContact O-CA 3.42Å; L1222-Q1344 WeakPolarHBondContact CA-O 3.44Å; D1223-Q1344 HydrophobicContact CB-CG 4.45Å; D1223-Q1344 PolarHBondContact N-O 2.81Å; D1223-Q1344 PolarHBondContact OD2-NE2 3.4Å; F1342-Q1344 PolarHBondContact O-N 2.82Å | ||
| 1345 | G | 88 | Confident | 79.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 122.2 | -140.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1172 F1173 | H1172-G1345 PolarHBondContact CD2-O 3.1Å; F1173-G1345 PolarHBondContact N-O 2.89Å; F1173-G1345 PolarHBondContact O-N 2.95Å |
| 1346 | Y | 91.6 | Very high | 79.9 | Confident | 67 Ų | 67 | 37.7 Ų | 37.7 | 26% | 0.263 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 137.6 | -171 | -59.6 | -92.7 | 0 | 0 | 0 | 112.9 | T1170 L1171 H1172 Q1221 T1381 F1384 | T1170-Y1346 HydrophobicContact CG2-CD1 3.93Å; T1170-Y1346 HydrophobicContact CG2-CG 4.47Å; L1171-Y1346 WeakPolarHBondContact O-CA 3.4Å; H1172-Y1346 HydrophobicContact CB-CD1 4.09Å; H1172-Y1346 HydrophobicContact CB-CE1 3.98Å; H1172-Y1346 AromaticContact CD2-CD1 3.78Å; H1172-Y1346 AromaticContact CD2-CE1 3.34Å; H1172-Y1346 WeakPolarHBondContact CD2-CE1 3.34Å; H1172-Y1346 AromaticContact CD2-CE2 3.87Å; H1172-Y1346 AromaticContact CD2-CZ 3.37Å; H1172-Y1346 AromaticContact CG-CE1 3.91Å; H1172-Y1346 AromaticContact NE2-CZ 3.9Å; Q1221-Y1346 PolarHBondContact N-O 3.13Å; Q1221-Y1346 PolarHBondContact O-N 3.43Å; Y1346-T1381 HydrophobicContact CD1-CG2 4.23Å; Y1346-T1381 HydrophobicContact CE1-CG2 4.13Å; Y1346-F1384 HydrophobicContact CD1-CB 4.41Å; Y1346-F1384 AromaticContact CD1-CD2 3.35Å; Y1346-F1384 HydrophobicContact CD1-CD2 3.35Å; Y1346-F1384 AromaticContact CD1-CE2 3.84Å; Y1346-F1384 HydrophobicContact CD1-CE2 3.84Å; Y1346-F1384 HydrophobicContact CD1-CG 4.09Å; Y1346-F1384 AromaticContact CD2-CD2 3.9Å; Y1346-F1384 HydrophobicContact CD2-CD2 3.9Å; Y1346-F1384 AromaticContact CD2-CE2 3.62Å; Y1346-F1384 HydrophobicContact CD2-CE2 3.62Å; Y1346-F1384 AromaticContact CE1-CD2 3.75Å; Y1346-F1384 HydrophobicContact CE1-CD2 3.75Å; Y1346-F1384 HydrophobicContact CE1-CE2 4.46Å; Y1346-F1384 HydrophobicContact CE2-CD2 4.29Å; Y1346-F1384 HydrophobicContact CE2-CE2 4.31Å; Y1346-F1384 AromaticContact CG-CD2 3.42Å; Y1346-F1384 HydrophobicContact CG-CD2 3.42Å; Y1346-F1384 VanDerWaalsContact CG-CD2 3.42Å; Y1346-F1384 AromaticContact CG-CE2 3.36Å; Y1346-F1384 HydrophobicContact CG-CE2 3.36Å; Y1346-F1384 HydrophobicContact CG-CG 4.41Å; Y1346-F1384 HydrophobicContact CG-CZ 4.31Å |
| 1347 | V | 94.1 | Very high | 80.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127 | 175.6 | -167.4 | 0 | 0 | 0 | 0 | 108.8 | T1170 L1171 F1173 I1218 G1219 L1220 L1331 I1343 V1350 | T1170-V1347 WeakPolarHBondContact CA-O 3.38Å; L1171-V1347 PolarHBondContact N-O 3.05Å; L1171-V1347 PolarHBondContact O-N 2.86Å; F1173-V1347 HydrophobicContact CD2-CB 4.16Å; F1173-V1347 HydrophobicContact CD2-CG2 3.52Å; F1173-V1347 HydrophobicContact CE2-CB 3.81Å; F1173-V1347 HydrophobicContact CE2-CG2 3.48Å; F1173-V1347 VanDerWaalsContact CE2-CG2 3.48Å; F1173-V1347 HydrophobicContact CG-CG2 4.25Å; F1173-V1347 HydrophobicContact CZ-CG2 4.18Å; I1218-V1347 HydrophobicContact CG2-CG1 3.88Å; G1219-V1347 CarbonylContact O-C 3.42Å; G1219-V1347 WeakPolarHBondContact O-CA 3.26Å; L1220-V1347 HydrophobicContact CD2-CB 4.38Å; L1220-V1347 HydrophobicContact CD2-CG1 4.08Å; L1220-V1347 HydrophobicContact CD2-CG2 3.92Å; L1331-V1347 HydrophobicContact CD1-CG1 4.49Å; I1343-V1347 HydrophobicContact CD1-CG2 3.86Å; I1343-V1347 HydrophobicContact CG2-CG2 3.74Å; V1347-V1350 HydrophobicContact CG1-CG2 3.49Å; V1347-V1350 VanDerWaalsContact CG1-CG2 3.49Å |
| 1348 | T | 93.6 | Very high | 82.2 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 150 | -171.8 | 179.9 | 0 | 0 | 0 | 0 | 113.7 | V1167 G1168 T1169 T1170 G1219 Y1291 V1350 | V1167-T1348 HydrophobicContact CG1-CG2 4.3Å; G1168-T1348 WeakPolarHBondContact CA-OG1 3.25Å; G1168-T1348 PolarHBondContact O-OG1 2.86Å; T1169-T1348 WeakPolarHBondContact O-CA 3.34Å; T1169-T1348 PolarHBondContact O-OG1 2.88Å; T1170-T1348 WeakPolarHBondContact OG1-CB 3.37Å; T1170-T1348 PolarHBondContact OG1-OG1 2.87Å; T1170-T1348 VanDerWaalsContact OG1-OG1 3.11Å; G1219-T1348 WeakPolarHBondContact CA-O 3.49Å; G1219-T1348 PolarHBondContact N-O 2.91Å; G1219-T1348 PolarHBondContact O-N 2.82Å; Y1291-T1348 HydrophobicContact CE2-CG2 3.47Å; Y1291-T1348 VanDerWaalsContact CE2-CG2 3.47Å; Y1291-T1348 VanDerWaalsContact OH-CG2 3.24Å; Y1291-T1348 WeakPolarHBondContact OH-CG2 3.31Å; T1348-V1350 VanDerWaalsContact C-N 3.28Å; T1348-V1350 PolarHBondContact O-N 2.96Å |
| 1349 | G | 90.4 | Very high | 83.9 | Confident | 15 Ų | 15 | 31.3 Ų | 31.3 | 16% | 0.155 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.5 | 40.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1169 T1358 | T1169-G1349 PolarHBondContact O-N 2.95Å; G1349-T1358 PolarHBondContact N-OG1 3.37Å |
| 1350 | V | 94.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 127.7 | -170.6 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | T1217 I1218 L1331 V1347 T1348 R1356 L1357 T1358 | T1217-V1350 WeakPolarHBondContact O-CA 3.44Å; I1218-V1350 HydrophobicContact CG1-CG1 4.32Å; I1218-V1350 HydrophobicContact CG2-CG2 3.92Å; L1331-V1350 HydrophobicContact CD1-CG1 4.05Å; L1331-V1350 HydrophobicContact CD1-CG2 4.39Å; L1331-V1350 HydrophobicContact CD2-CG2 4.5Å; V1347-V1350 HydrophobicContact CG1-CG2 3.49Å; V1347-V1350 VanDerWaalsContact CG1-CG2 3.49Å; T1348-V1350 VanDerWaalsContact C-N 3.28Å; T1348-V1350 PolarHBondContact O-N 2.96Å; V1350-R1356 CarbonylContact O-C 3.56Å; V1350-R1356 WeakPolarHBondContact O-CA 3.35Å; V1350-L1357 HydrophobicContact CB-CB 4.17Å; V1350-L1357 HydrophobicContact CG1-CB 4.01Å; V1350-L1357 HydrophobicContact CG1-CD1 3.89Å; V1350-L1357 HydrophobicContact CG1-CG 4.42Å; V1350-L1357 PolarHBondContact O-N 3.17Å; V1350-T1358 HydrophobicContact CB-CG2 3.89Å; V1350-T1358 HydrophobicContact CG2-CG2 3.63Å; V1350-T1358 PolarHBondContact N-OG1 3.47Å; V1350-T1358 VanDerWaalsContact N-OG1 3.08Å |
| 1351 | Y | 90.8 | Very high | 86.4 | Confident | 43 Ų | 43 | 24.3 Ų | 24.3 | 17% | 0.169 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.9 | -179.9 | 179.4 | -95.2 | 0 | 0 | 0 | 111.2 | D1155 L1156 I1215 F1216 T1217 G1354 L1355 R1356 | D1155-Y1351 HydrophobicContact CB-CD2 3.75Å; D1155-Y1351 HydrophobicContact CB-CE2 3.67Å; D1155-Y1351 HydrophobicContact CB-CG 4.27Å; D1155-Y1351 WeakPolarHBondContact O-CB 3.44Å; L1156-Y1351 HydrophobicContact CD2-CD1 3.61Å; L1156-Y1351 HydrophobicContact CD2-CE1 3.6Å; I1215-Y1351 HydrophobicContact CG2-CE1 4.32Å; F1216-Y1351 CarbonylContact C-O 3.56Å; F1216-Y1351 VanDerWaalsContact CA-O 3.24Å; F1216-Y1351 WeakPolarHBondContact CA-O 3.41Å; T1217-Y1351 PolarHBondContact N-O 2.94Å; T1217-Y1351 PolarHBondContact O-N 2.87Å; Y1351-G1354 VanDerWaalsContact CE2-CA 3.49Å; Y1351-G1354 VanDerWaalsContact CZ-N 3.28Å; Y1351-G1354 WeakPolarHBondContact OH-CA 3.35Å; Y1351-G1354 PolarHBondContact OH-N 3.44Å; Y1351-L1355 WeakPolarHBondContact CA-O 2.83Å; Y1351-R1356 HydrophobicContact CD2-CG 4.35Å |
| 1352 | Y | 89.3 | Confident | 87.5 | Confident | 3 Ų | 3 | 22.6 Ų | 22.6 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 119.8 | 170.8 | 178.3 | -94.6 | 0 | 0 | 0 | 110.5 | D1214 I1215 F1216 L1244 T1246 L1257 T1326 L1329 G1354 L1355 | D1214-Y1352 PolarHBondContact OD1-OH 2.95Å; I1215-Y1352 WeakPolarHBondContact O-CA 3.27Å; F1216-Y1352 HydrophobicContact CB-CD2 4.01Å; L1244-Y1352 HydrophobicContact CD2-CD2 3.9Å; L1244-Y1352 HydrophobicContact CD2-CE2 4.45Å; T1246-Y1352 HydrophobicContact CG2-CD2 4.5Å; T1246-Y1352 HydrophobicContact CG2-CE1 4.41Å; T1246-Y1352 HydrophobicContact CG2-CE2 3.85Å; T1246-Y1352 PolarHBondContact OG1-OH 3.04Å; L1257-Y1352 HydrophobicContact CD2-CE2 4.1Å; T1326-Y1352 HydrophobicContact CG2-CE1 4.1Å; T1326-Y1352 PolarHBondContact OG1-OH 2.93Å; L1329-Y1352 HydrophobicContact CD1-CD1 3.28Å; L1329-Y1352 HydrophobicContact CD1-CD2 4.17Å; L1329-Y1352 HydrophobicContact CD1-CE1 3.68Å; L1329-Y1352 HydrophobicContact CD1-CG 3.55Å; Y1352-G1354 PolarHBondContact O-N 3.01Å; Y1352-L1355 PolarHBondContact N-O 3.44Å; Y1352-L1355 WeakPolarHBondContact O-CB 3.47Å; Y1352-L1355 PolarHBondContact O-N 3.35Å |
| 1353 | N | 82.2 | Confident | 87.8 | Confident | 50 Ų | 50 | 23.2 Ų | 23.2 | 27% | 0.267 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 39 | 172.8 | -67.5 | -5.1 | 0 | 0 | 0 | 115.3 | D1214 I1215 | D1214-N1353 VanDerWaalsContact CA-OD1 3.31Å; D1214-N1353 WeakPolarHBondContact CA-OD1 3.16Å; D1214-N1353 PolarHBondContact OD1-ND2 3.39Å; I1215-N1353 PolarHBondContact N-OD1 2.92Å; I1215-N1353 PolarHBondContact O-N 3.46Å; I1215-N1353 PolarHBondContact O-OD1 2.85Å |
| 1354 | G | 74.7 | Confident | 87.5 | Confident | 48 Ų | 48 | 27 Ų | 27 | 50% | 0.495 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99 | -17.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y1351 Y1352 | Y1351-G1354 VanDerWaalsContact CE2-CA 3.49Å; Y1351-G1354 VanDerWaalsContact CZ-N 3.28Å; Y1351-G1354 WeakPolarHBondContact OH-CA 3.35Å; Y1351-G1354 PolarHBondContact OH-N 3.44Å; Y1352-G1354 PolarHBondContact O-N 3.01Å |
| 1355 | L | 83.2 | Confident | 87 | Confident | 23 Ų | 23 | 27.3 Ų | 27.3 | 12% | 0.12 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 129.1 | 178.9 | -58.6 | 178.5 | 0 | 0 | 0 | 111.2 | I1204 Y1351 Y1352 L1357 L1360 L1367 V1370 | I1204-L1355 HydrophobicContact CD1-CD1 3.73Å; I1204-L1355 HydrophobicContact CG1-CD1 4.35Å; Y1351-L1355 WeakPolarHBondContact CA-O 2.83Å; Y1352-L1355 PolarHBondContact N-O 3.44Å; Y1352-L1355 WeakPolarHBondContact O-CB 3.47Å; Y1352-L1355 PolarHBondContact O-N 3.35Å; L1355-L1357 HydrophobicContact CB-CD2 4Å; L1355-L1357 PolarHBondContact O-N 2.9Å; L1355-L1360 HydrophobicContact CB-CD1 4.16Å; L1355-L1360 HydrophobicContact CD2-CD1 4.4Å; L1355-L1367 HydrophobicContact CD2-CD1 3.68Å; L1355-V1370 HydrophobicContact CD1-CG2 4.5Å; L1355-V1370 HydrophobicContact CD2-CG2 4.32Å |
| 1356 | R | 87.2 | Confident | 86.5 | Confident | 76 Ų | 76 | 34.3 Ų | 34.3 | 29% | 0.287 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 90.9 | 169.8 | -67.2 | -172.3 | 179.1 | -175.2 | -2 | 109.8 | D1155 V1350 Y1351 T1358 D1359 L1360 | D1155-R1356 IonicContact OD1-CZ 3.98Å; D1155-R1356 VanDerWaalsContact OD1-CZ 3.23Å; D1155-R1356 IonicContact OD1-NE 2.77Å; D1155-R1356 PolarHBondContact OD1-NE 2.98Å; D1155-R1356 IonicContact OD1-NH2 2.78Å; D1155-R1356 PolarHBondContact OD1-NH2 2.84Å; V1350-R1356 CarbonylContact O-C 3.56Å; V1350-R1356 WeakPolarHBondContact O-CA 3.35Å; Y1351-R1356 HydrophobicContact CD2-CG 4.35Å; R1356-T1358 VanDerWaalsContact C-N 3.31Å; R1356-T1358 PolarHBondContact O-N 3.12Å; R1356-D1359 HydrophobicContact CB-CB 3.92Å; R1356-D1359 WeakPolarHBondContact CD-OD2 3.4Å; R1356-D1359 IonicContact NH1-OD2 3.57Å; R1356-D1359 PolarHBondContact O-N 2.94Å; R1356-D1359 VanDerWaalsContact O-N 3.08Å; R1356-L1360 WeakPolarHBondContact O-CG 3.38Å; R1356-L1360 PolarHBondContact O-N 3.13Å |
| 1357 | L | 92.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.4 | -33.9 | -169.7 | -62 | 176.7 | 0 | 0 | 0 | 112.5 | F1202 L1244 L1329 V1350 L1355 L1360 A1361 | F1202-L1357 HydrophobicContact CD1-CD2 3.89Å; F1202-L1357 HydrophobicContact CD2-CD2 4.23Å; F1202-L1357 HydrophobicContact CE1-CB 4.12Å; F1202-L1357 HydrophobicContact CE1-CD2 3.85Å; F1202-L1357 WeakPolarHBondContact CE1-O 3.2Å; F1202-L1357 HydrophobicContact CE2-CB 4.28Å; F1202-L1357 HydrophobicContact CE2-CD2 4.19Å; F1202-L1357 HydrophobicContact CG-CD2 4.09Å; F1202-L1357 HydrophobicContact CZ-CB 3.72Å; F1202-L1357 HydrophobicContact CZ-CD2 3.99Å; F1202-L1357 HydrophobicContact CZ-CG 4.38Å; F1202-L1357 WeakPolarHBondContact CZ-O 3.45Å; L1244-L1357 HydrophobicContact CD1-CD1 4.29Å; L1329-L1357 HydrophobicContact CD1-CD1 3.94Å; L1329-L1357 HydrophobicContact CD1-CD2 4.41Å; L1329-L1357 HydrophobicContact CD2-CD1 3.42Å; L1329-L1357 VanDerWaalsContact CD2-CD1 3.42Å; L1329-L1357 HydrophobicContact CD2-CD2 3.95Å; L1329-L1357 HydrophobicContact CD2-CG 4.32Å; L1329-L1357 HydrophobicContact CG-CD1 4.35Å; V1350-L1357 HydrophobicContact CB-CB 4.17Å; V1350-L1357 HydrophobicContact CG1-CB 4.01Å; V1350-L1357 HydrophobicContact CG1-CD1 3.89Å; V1350-L1357 HydrophobicContact CG1-CG 4.42Å; V1350-L1357 PolarHBondContact O-N 3.17Å; L1355-L1357 HydrophobicContact CB-CD2 4Å; L1355-L1357 PolarHBondContact O-N 2.9Å; L1357-L1360 HydrophobicContact CD2-CD1 4.49Å; L1357-A1361 WeakPolarHBondContact O-CB 3.41Å; L1357-A1361 PolarHBondContact O-N 3.4Å |
| 1358 | T | 92.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.6 | -30.2 | 173.5 | 40.7 | 0 | 0 | 0 | 0 | 113.7 | T1169 L1171 G1349 V1350 R1356 S1362 | T1169-T1358 WeakPolarHBondContact CG2-O 3.32Å; T1169-T1358 VanDerWaalsContact O-CB 3.26Å; T1169-T1358 WeakPolarHBondContact O-CB 3.35Å; T1169-T1358 WeakPolarHBondContact O-CG2 3.46Å; T1169-T1358 PolarHBondContact O-OG1 3.48Å; L1171-T1358 HydrophobicContact CD1-CG2 4.01Å; L1171-T1358 HydrophobicContact CG-CG2 4.15Å; G1349-T1358 PolarHBondContact N-OG1 3.37Å; V1350-T1358 HydrophobicContact CB-CG2 3.89Å; V1350-T1358 HydrophobicContact CG2-CG2 3.63Å; V1350-T1358 PolarHBondContact N-OG1 3.47Å; V1350-T1358 VanDerWaalsContact N-OG1 3.08Å; R1356-T1358 VanDerWaalsContact C-N 3.31Å; R1356-T1358 PolarHBondContact O-N 3.12Å; T1358-S1362 VanDerWaalsContact O-CB 3.31Å; T1358-S1362 WeakPolarHBondContact O-CB 3.28Å; T1358-S1362 PolarHBondContact O-N 3.28Å; T1358-S1362 PolarHBondContact O-OG 2.82Å |
| 1359 | D | 87.8 | Confident | 83.4 | Confident | 18 Ų | 18 | 43.7 Ų | 43.7 | 10% | 0.096 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -75.6 | -43 | 180 | -59.8 | 2 | 0 | 0 | 0 | 109.1 | T1169 R1356 S1362 G1363 L1364 Q1365 | T1169-D1359 WeakPolarHBondContact CB-OD1 3.41Å; T1169-D1359 PolarHBondContact OG1-OD1 3.45Å; R1356-D1359 HydrophobicContact CB-CB 3.92Å; R1356-D1359 WeakPolarHBondContact CD-OD2 3.4Å; R1356-D1359 IonicContact NH1-OD2 3.57Å; R1356-D1359 PolarHBondContact O-N 2.94Å; R1356-D1359 VanDerWaalsContact O-N 3.08Å; D1359-S1362 WeakPolarHBondContact CA-OG 3.22Å; D1359-S1362 PolarHBondContact O-OG 3.14Å; D1359-G1363 PolarHBondContact O-N 3.32Å; D1359-G1363 VanDerWaalsContact O-N 3.07Å; D1359-L1364 PolarHBondContact O-N 2.9Å; D1359-L1364 VanDerWaalsContact O-N 3.1Å; D1359-Q1365 HydrophobicContact CB-CB 3.84Å; D1359-Q1365 PolarHBondContact O-N 3.38Å; D1359-Q1365 VanDerWaalsContact O-N 3.13Å |
| 1360 | L | 88.5 | Confident | 82.5 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 170 | -65.5 | 166.3 | 0 | 0 | 0 | 112.6 | F1202 L1355 R1356 L1357 G1363 Q1365 L1367 V1370 V1372 | F1202-L1360 HydrophobicContact CD1-CB 4.41Å; F1202-L1360 HydrophobicContact CE1-CB 3.94Å; L1355-L1360 HydrophobicContact CB-CD1 4.16Å; L1355-L1360 HydrophobicContact CD2-CD1 4.4Å; R1356-L1360 WeakPolarHBondContact O-CG 3.38Å; R1356-L1360 PolarHBondContact O-N 3.13Å; L1357-L1360 HydrophobicContact CD2-CD1 4.49Å; L1360-G1363 PolarHBondContact O-N 2.8Å; L1360-Q1365 HydrophobicContact CD2-CB 4.32Å; L1360-Q1365 HydrophobicContact CD2-CG 4.19Å; L1360-L1367 HydrophobicContact CD1-CD1 4.36Å; L1360-L1367 HydrophobicContact CD2-CB 4.24Å; L1360-L1367 HydrophobicContact CD2-CD1 3.92Å; L1360-L1367 HydrophobicContact CD2-CG 3.92Å; L1360-V1370 HydrophobicContact CD1-CG1 4.4Å; L1360-V1372 HydrophobicContact CB-CG2 4.1Å |
| 1361 | A | 88.7 | Confident | 82 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -86 | -7.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1171 V1200 F1202 L1357 V1372 R1374 | L1171-A1361 HydrophobicContact CD1-CB 3.84Å; V1200-A1361 HydrophobicContact CG1-CB 3.91Å; V1200-A1361 HydrophobicContact CG2-CB 4.32Å; F1202-A1361 HydrophobicContact CE1-CB 4Å; F1202-A1361 HydrophobicContact CZ-CB 3.74Å; L1357-A1361 WeakPolarHBondContact O-CB 3.41Å; L1357-A1361 PolarHBondContact O-N 3.4Å; A1361-V1372 HydrophobicContact CB-CG1 4.37Å; A1361-R1374 PolarHBondContact O-NE 3.22Å; A1361-R1374 PolarHBondContact O-NH1 2.85Å; A1361-R1374 PolarHBondContact O-NH2 3.42Å |
| 1362 | S | 86.9 | Confident | 81.6 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -88.1 | -35.2 | 163 | 49 | 0 | 0 | 0 | 0 | 110.9 | T1169 T1358 D1359 L1364 R1374 | T1169-S1362 WeakPolarHBondContact CG2-OG 3.47Å; T1358-S1362 VanDerWaalsContact O-CB 3.31Å; T1358-S1362 WeakPolarHBondContact O-CB 3.28Å; T1358-S1362 PolarHBondContact O-N 3.28Å; T1358-S1362 PolarHBondContact O-OG 2.82Å; D1359-S1362 WeakPolarHBondContact CA-OG 3.22Å; D1359-S1362 PolarHBondContact O-OG 3.14Å; S1362-L1364 WeakPolarHBondContact OG-CG 3.36Å; S1362-R1374 PolarHBondContact O-NH2 3.19Å |
| 1363 | G | 80 | Confident | 81.4 | Confident | 52 Ų | 52 | 51 Ų | 51 | 54% | 0.536 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.4 | 0.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1359 L1360 Q1365 | D1359-G1363 PolarHBondContact O-N 3.32Å; D1359-G1363 VanDerWaalsContact O-N 3.07Å; L1360-G1363 PolarHBondContact O-N 2.8Å; G1363-Q1365 PolarHBondContact O-N 3.26Å |
| 1364 | L | 76.5 | Confident | 81.2 | Confident | 83 Ų | 83 | 54 Ų | 54 | 44% | 0.435 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -70.2 | -14 | 174.9 | -61.9 | 175.3 | 0 | 0 | 0 | 113.1 | T1169 D1359 S1362 Y1380 | T1169-L1364 HydrophobicContact CG2-CD1 3.86Å; D1359-L1364 PolarHBondContact O-N 2.9Å; D1359-L1364 VanDerWaalsContact O-N 3.1Å; S1362-L1364 WeakPolarHBondContact OG-CG 3.36Å; L1364-Y1380 HydrophobicContact CD1-CE2 4.12Å |
| 1365 | Q | 74.8 | Confident | 81 | Confident | 73 Ų | 73 | 55.1 Ų | 55.1 | 34% | 0.341 | 28% | 0.279 | S | S | . | . | trans | -133.9 | 139 | 170.3 | -172 | 174.9 | 10 | 0 | 0 | 109.5 | D1359 L1360 G1363 | D1359-Q1365 HydrophobicContact CB-CB 3.84Å; D1359-Q1365 PolarHBondContact O-N 3.38Å; D1359-Q1365 VanDerWaalsContact O-N 3.13Å; L1360-Q1365 HydrophobicContact CD2-CB 4.32Å; L1360-Q1365 HydrophobicContact CD2-CG 4.19Å; G1363-Q1365 PolarHBondContact O-N 3.26Å | ||
| 1366 | H | 76.9 | Confident | 80.1 | Confident | 148 Ų | 148 | 56.9 Ų | 56.9 | 69% | 0.685 | 30% | 0.297 | S | S | * | . | trans | -122 | 140.8 | 171.2 | -176.2 | -99.6 | 0 | 0 | 0 | 109.9 | ||||
| 1367 | L | 71 | Confident | 79.3 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | trans | -134.6 | 122.4 | 173.7 | -68.1 | 174.1 | 0 | 0 | 0 | 107.5 | L1355 L1360 F1369 V1370 | L1355-L1367 HydrophobicContact CD2-CD1 3.68Å; L1360-L1367 HydrophobicContact CD1-CD1 4.36Å; L1360-L1367 HydrophobicContact CD2-CB 4.24Å; L1360-L1367 HydrophobicContact CD2-CD1 3.92Å; L1360-L1367 HydrophobicContact CD2-CG 3.92Å; L1367-F1369 HydrophobicContact CB-CD1 4.38Å; L1367-F1369 HydrophobicContact CB-CE1 4.05Å; L1367-F1369 HydrophobicContact CB-CZ 4.29Å; L1367-F1369 HydrophobicContact CD1-CE1 4.45Å; L1367-F1369 HydrophobicContact CD1-CZ 4Å; L1367-F1369 HydrophobicContact CD2-CE1 4.19Å; L1367-F1369 HydrophobicContact CD2-CZ 4.47Å; L1367-F1369 HydrophobicContact CG-CE1 4.47Å; L1367-F1369 HydrophobicContact CG-CZ 4.5Å; L1367-F1369 PolarHBondContact O-N 2.88Å; L1367-F1369 VanDerWaalsContact O-N 3.08Å; L1367-V1370 HydrophobicContact CB-CB 4.17Å; L1367-V1370 HydrophobicContact CB-CG2 3.99Å; L1367-V1370 HydrophobicContact CD1-CG2 4.16Å; L1367-V1370 PolarHBondContact O-N 2.97Å | ||
| 1368 | T | 65.8 | Low | 78.4 | Confident | 134 Ų | 134 | 55.7 Ų | 55.7 | 82% | 0.822 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -24.9 | -173 | 48 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1369 | F | 76.2 | Confident | 78 | Confident | 90 Ų | 90 | 60.5 Ų | 60.5 | 40% | 0.395 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 5.7 | 177.8 | 64.3 | -87.9 | 0 | 0 | 0 | 114.1 | I1204 E1205 L1367 | I1204-F1369 HydrophobicContact CG2-CD2 4.07Å; I1204-F1369 HydrophobicContact CG2-CE2 4.49Å; E1205-F1369 PolarHBondContact N-O 3.2Å; L1367-F1369 HydrophobicContact CB-CD1 4.38Å; L1367-F1369 HydrophobicContact CB-CE1 4.05Å; L1367-F1369 HydrophobicContact CB-CZ 4.29Å; L1367-F1369 HydrophobicContact CD1-CE1 4.45Å; L1367-F1369 HydrophobicContact CD1-CZ 4Å; L1367-F1369 HydrophobicContact CD2-CE1 4.19Å; L1367-F1369 HydrophobicContact CD2-CZ 4.47Å; L1367-F1369 HydrophobicContact CG-CE1 4.47Å; L1367-F1369 HydrophobicContact CG-CZ 4.5Å; L1367-F1369 PolarHBondContact O-N 2.88Å; L1367-F1369 VanDerWaalsContact O-N 3.08Å |
| 1370 | V | 73.2 | Confident | 78.1 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.03 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 98.9 | 178.6 | -171.4 | 0 | 0 | 0 | 0 | 110.7 | F1202 Q1203 L1355 L1360 L1367 V1372 | F1202-V1370 HydrophobicContact CB-CG1 4.3Å; F1202-V1370 HydrophobicContact CD1-CG1 4.42Å; Q1203-V1370 CarbonylContact O-C 3.29Å; Q1203-V1370 WeakPolarHBondContact O-CA 3.32Å; L1355-V1370 HydrophobicContact CD1-CG2 4.5Å; L1355-V1370 HydrophobicContact CD2-CG2 4.32Å; L1360-V1370 HydrophobicContact CD1-CG1 4.4Å; L1367-V1370 HydrophobicContact CB-CB 4.17Å; L1367-V1370 HydrophobicContact CB-CG2 3.99Å; L1367-V1370 HydrophobicContact CD1-CG2 4.16Å; L1367-V1370 PolarHBondContact O-N 2.97Å; V1370-V1372 PolarHBondContact O-N 2.86Å |
| 1371 | K | 82.5 | Confident | 78 | Confident | 123 Ų | 123 | 65 Ų | 65 | 54% | 0.535 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 118.6 | 173.3 | 176.1 | 177.4 | 174.1 | 177.9 | 0 | 109.9 | F1202 Q1203 | F1202-K1371 WeakPolarHBondContact CA-O 3.21Å; Q1203-K1371 HydrophobicContact CB-CB 4.27Å; Q1203-K1371 PolarHBondContact N-O 3.11Å; Q1203-K1371 PolarHBondContact O-N 3.01Å |
| 1372 | V | 84.3 | Confident | 77.5 | Confident | 44 Ų | 44 | 71.5 Ų | 71.5 | 27% | 0.267 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 142 | 176.8 | -168.9 | 0 | 0 | 0 | 0 | 110 | V1200 F1202 L1360 A1361 V1370 | V1200-V1372 HydrophobicContact CG1-CG1 3.75Å; F1202-V1372 HydrophobicContact CD1-CG1 4.1Å; F1202-V1372 HydrophobicContact CD1-CG2 3.94Å; F1202-V1372 HydrophobicContact CE1-CG1 4Å; F1202-V1372 HydrophobicContact CE1-CG2 4.26Å; L1360-V1372 HydrophobicContact CB-CG2 4.1Å; A1361-V1372 HydrophobicContact CB-CG1 4.37Å; V1370-V1372 PolarHBondContact O-N 2.86Å |
| 1373 | T | 83.2 | Confident | 77.2 | Confident | 43 Ų | 43 | 75.8 Ų | 75.8 | 26% | 0.264 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 118.7 | 174.4 | -55.7 | 0 | 0 | 0 | 0 | 109.4 | Q1201 Y1375 | Q1201-T1373 PolarHBondContact N-O 3Å; Q1201-T1373 PolarHBondContact O-N 3.22Å; T1373-Y1375 HydrophobicContact CG2-CD2 4.27Å; T1373-Y1375 HydrophobicContact CG2-CE1 4.42Å; T1373-Y1375 HydrophobicContact CG2-CE2 3.53Å |
| 1374 | R | 78.3 | Confident | 77.4 | Confident | 112 Ų | 112 | 74.6 Ų | 74.6 | 42% | 0.423 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 140.2 | 179.8 | -52.7 | 175.6 | -153.9 | 179.9 | 0.9 | 108.8 | V1200 A1361 S1362 | V1200-R1374 HydrophobicContact CG1-CG 4.28Å; V1200-R1374 HydrophobicContact CG2-CG 4.39Å; A1361-R1374 PolarHBondContact O-NE 3.22Å; A1361-R1374 PolarHBondContact O-NH1 2.85Å; A1361-R1374 PolarHBondContact O-NH2 3.42Å; S1362-R1374 PolarHBondContact O-NH2 3.19Å |
| 1375 | Y | 70.9 | Confident | 77.8 | Confident | 72 Ų | 72 | 78.4 Ų | 78.4 | 28% | 0.282 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 127.1 | -179.9 | -66.2 | -94.2 | 0 | 0 | 0 | 109.2 | L1190 G1198 F1199 Q1201 T1373 | L1190-Y1375 HydrophobicContact CD2-CD1 4.26Å; L1190-Y1375 HydrophobicContact CD2-CE1 4.22Å; G1198-Y1375 VanDerWaalsContact CA-O 3.31Å; G1198-Y1375 WeakPolarHBondContact CA-O 3.49Å; F1199-Y1375 AromaticContact CD2-CD2 3.68Å; F1199-Y1375 HydrophobicContact CD2-CD2 3.68Å; F1199-Y1375 AromaticContact CD2-CG 3.97Å; F1199-Y1375 HydrophobicContact CD2-CG 3.97Å; F1199-Y1375 HydrophobicContact CE1-CG 4.4Å; F1199-Y1375 HydrophobicContact CE2-CD1 4.06Å; F1199-Y1375 AromaticContact CE2-CD2 3.28Å; F1199-Y1375 HydrophobicContact CE2-CD2 3.28Å; F1199-Y1375 AromaticContact CE2-CE2 3.92Å; F1199-Y1375 HydrophobicContact CE2-CE2 3.92Å; F1199-Y1375 AromaticContact CE2-CG 3.36Å; F1199-Y1375 HydrophobicContact CE2-CG 3.36Å; F1199-Y1375 HydrophobicContact CZ-CD1 4.02Å; F1199-Y1375 HydrophobicContact CZ-CD2 4.05Å; F1199-Y1375 AromaticContact CZ-CG 3.62Å; F1199-Y1375 HydrophobicContact CZ-CG 3.62Å; F1199-Y1375 PolarHBondContact N-O 3.39Å; F1199-Y1375 PolarHBondContact O-N 3.14Å; Q1201-Y1375 HydrophobicContact CB-CE2 3.95Å; Q1201-Y1375 PolarHBondContact OE1-OH 2.81Å; T1373-Y1375 HydrophobicContact CG2-CD2 4.27Å; T1373-Y1375 HydrophobicContact CG2-CE1 4.42Å; T1373-Y1375 HydrophobicContact CG2-CE2 3.53Å |
| 1376 | A | 65.4 | Low | 78.3 | Confident | 61 Ų | 61 | 76.5 Ų | 76.5 | 50% | 0.504 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 52.1 | -148.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T1197 V1378 | T1197-A1376 WeakPolarHBondContact O-CB 3.44Å; A1376-V1378 VanDerWaalsContact C-N 3.3Å; A1376-V1378 PolarHBondContact O-N 2.94Å |
| 1377 | E | 68.5 | Low | 78.8 | Confident | 39 Ų | 39 | 75 Ų | 75 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -69.3 | 71.4 | -169.9 | -62.7 | -172.1 | 136.6 | 0 | 0 | 113.8 | F1173 G1174 K1175 | F1173-E1377 WeakPolarHBondContact CA-O 3.19Å; G1174-E1377 PolarHBondContact N-O 3.01Å; K1175-E1377 WeakPolarHBondContact CB-OE1 3.25Å; K1175-E1377 WeakPolarHBondContact CB-OE2 3.31Å; K1175-E1377 PolarHBondContact N-OE2 3.29Å |
| 1378 | V | 75.2 | Confident | 79.5 | Confident | 11 Ų | 11 | 74.9 Ų | 74.9 | 7% | 0.067 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 96.2 | 166.3 | -171.3 | 0 | 0 | 0 | 0 | 109.9 | L1171 H1172 F1173 F1199 V1200 A1376 | L1171-V1378 HydrophobicContact CB-CG1 4.1Å; L1171-V1378 HydrophobicContact CD1-CG1 4.15Å; L1171-V1378 HydrophobicContact CD2-CG1 4.28Å; L1171-V1378 HydrophobicContact CG-CG1 4.41Å; H1172-V1378 WeakPolarHBondContact O-CA 3.39Å; F1173-V1378 HydrophobicContact CD1-CG2 3.99Å; F1173-V1378 HydrophobicContact CD2-CG1 4.19Å; F1173-V1378 HydrophobicContact CE1-CG1 4.45Å; F1173-V1378 HydrophobicContact CE1-CG2 3.97Å; F1173-V1378 HydrophobicContact CE2-CG1 3.86Å; F1173-V1378 HydrophobicContact CG-CG2 4.39Å; F1173-V1378 HydrophobicContact CZ-CG1 4Å; F1173-V1378 HydrophobicContact CZ-CG2 4.34Å; F1199-V1378 VanDerWaalsContact N-CG2 3.31Å; V1200-V1378 HydrophobicContact CG2-CB 4.3Å; V1200-V1378 HydrophobicContact CG2-CG1 3.82Å; V1200-V1378 HydrophobicContact CG2-CG2 4.22Å; A1376-V1378 VanDerWaalsContact C-N 3.3Å; A1376-V1378 PolarHBondContact O-N 2.94Å |
| 1379 | E | 84.3 | Confident | 80.3 | Confident | 101 Ų | 101 | 69.2 Ų | 69.2 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 132.9 | -178.7 | -69.1 | 176.2 | -175.1 | 0 | 0 | 110.6 | L1171 H1172 K1175 | L1171-E1379 CarbonylContact C-O 3.52Å; L1171-E1379 WeakPolarHBondContact CA-O 3.33Å; H1172-E1379 PolarHBondContact N-O 3.47Å; H1172-E1379 PolarHBondContact O-N 3.37Å; K1175-E1379 IonicContact NZ-OE1 2.78Å |
| 1380 | Y | 89.2 | Confident | 80.2 | Confident | 96 Ų | 96 | 70.6 Ų | 70.6 | 38% | 0.376 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 133.8 | 166.9 | 161.5 | -117.7 | 0 | 0 | 0 | 109.8 | T1169 T1170 L1364 | T1169-Y1380 HydrophobicContact CG2-CD2 4.02Å; T1169-Y1380 HydrophobicContact CG2-CE2 3.85Å; T1170-Y1380 WeakPolarHBondContact O-CD2 3.5Å; L1364-Y1380 HydrophobicContact CD1-CE2 4.12Å |
| 1381 | T | 85.2 | Confident | 80.4 | Confident | 24 Ų | 24 | 76.9 Ų | 76.9 | 15% | 0.147 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132.5 | 178 | 176 | 0 | 0 | 0 | 0 | 112.7 | T1170 H1172 Y1346 T1383 F1384 | T1170-T1381 HydrophobicContact CG2-CG2 4.09Å; T1170-T1381 PolarHBondContact O-N 3.28Å; H1172-T1381 HydrophobicContact CB-CG2 4.19Å; Y1346-T1381 HydrophobicContact CD1-CG2 4.23Å; Y1346-T1381 HydrophobicContact CE1-CG2 4.13Å; T1381-T1383 PolarHBondContact OG1-N 2.98Å; T1381-T1383 VanDerWaalsContact OG1-N 3.09Å; T1381-T1383 PolarHBondContact OG1-OG1 3.31Å; T1381-F1384 HydrophobicContact CG2-CB 4.27Å |
| 1382 | N | 79.1 | Confident | 80.4 | Confident | 135 Ų | 135 | 72.3 Ų | 72.3 | 72% | 0.722 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -98.4 | 2.2 | 169.9 | 63.5 | -1.1 | 0 | 0 | 0 | 112.9 | ||
| 1383 | T | 80.2 | Confident | 80.2 | Confident | 105 Ų | 105 | 71.8 Ų | 71.8 | 64% | 0.644 | 38% | 0.376 | S | S | * | . | trans | -102.5 | 1.6 | -178.2 | 60.5 | 0 | 0 | 0 | 0 | 113.9 | T1381 Q1385 | T1381-T1383 PolarHBondContact OG1-N 2.98Å; T1381-T1383 VanDerWaalsContact OG1-N 3.09Å; T1381-T1383 PolarHBondContact OG1-OG1 3.31Å; T1383-Q1385 PolarHBondContact O-N 2.78Å | ||
| 1384 | F | 85.3 | Confident | 80.4 | Confident | 26 Ų | 26 | 70.1 Ų | 70.1 | 11% | 0.114 | 37% | 0.365 | C | S | . | . | trans | -54.4 | 132.1 | -178.6 | 174.3 | -122.8 | 0 | 0 | 0 | 113 | V1167 T1170 Q1221 Y1291 Y1346 T1381 L1386 | V1167-F1384 HydrophobicContact CG1-CD1 3.82Å; V1167-F1384 HydrophobicContact CG1-CE1 3.84Å; T1170-F1384 HydrophobicContact CG2-CB 3.84Å; T1170-F1384 HydrophobicContact CG2-CD1 3.78Å; T1170-F1384 HydrophobicContact CG2-CD2 4.29Å; T1170-F1384 HydrophobicContact CG2-CE1 4.41Å; T1170-F1384 HydrophobicContact CG2-CG 3.72Å; T1170-F1384 WeakPolarHBondContact OG1-CD1 3.18Å; Q1221-F1384 HydrophobicContact CB-CE2 4.38Å; Q1221-F1384 HydrophobicContact CB-CZ 4.07Å; Y1291-F1384 HydrophobicContact CD2-CZ 4.49Å; Y1346-F1384 HydrophobicContact CD1-CB 4.41Å; Y1346-F1384 AromaticContact CD1-CD2 3.35Å; Y1346-F1384 HydrophobicContact CD1-CD2 3.35Å; Y1346-F1384 AromaticContact CD1-CE2 3.84Å; Y1346-F1384 HydrophobicContact CD1-CE2 3.84Å; Y1346-F1384 HydrophobicContact CD1-CG 4.09Å; Y1346-F1384 AromaticContact CD2-CD2 3.9Å; Y1346-F1384 HydrophobicContact CD2-CD2 3.9Å; Y1346-F1384 AromaticContact CD2-CE2 3.62Å; Y1346-F1384 HydrophobicContact CD2-CE2 3.62Å; Y1346-F1384 AromaticContact CE1-CD2 3.75Å; Y1346-F1384 HydrophobicContact CE1-CD2 3.75Å; Y1346-F1384 HydrophobicContact CE1-CE2 4.46Å; Y1346-F1384 HydrophobicContact CE2-CD2 4.29Å; Y1346-F1384 HydrophobicContact CE2-CE2 4.31Å; Y1346-F1384 AromaticContact CG-CD2 3.42Å; Y1346-F1384 HydrophobicContact CG-CD2 3.42Å; Y1346-F1384 VanDerWaalsContact CG-CD2 3.42Å; Y1346-F1384 AromaticContact CG-CE2 3.36Å; Y1346-F1384 HydrophobicContact CG-CE2 3.36Å; Y1346-F1384 HydrophobicContact CG-CG 4.41Å; Y1346-F1384 HydrophobicContact CG-CZ 4.31Å; T1381-F1384 HydrophobicContact CG2-CB 4.27Å; F1384-L1386 HydrophobicContact CE1-CB 4.48Å; F1384-L1386 HydrophobicContact CE1-CD1 3.92Å; F1384-L1386 HydrophobicContact CZ-CD1 4.37Å | ||
| 1385 | Q | 83.8 | Confident | 80.5 | Confident | 163 Ų | 163 | 69.2 Ų | 69.2 | 76% | 0.762 | 36% | 0.363 | S | S | * | . | trans | -114.3 | 109.2 | 176.6 | -62.8 | -169.1 | 18.3 | 0 | 0 | 111 | T1383 K1387 | T1383-Q1385 PolarHBondContact O-N 2.78Å; Q1385-K1387 PolarHBondContact O-N 2.94Å | ||
| 1386 | L | 85.2 | Confident | 80.5 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 18% | 0.178 | 35% | 0.352 | C | S | . | . | trans | -60.6 | 119.1 | 178.2 | -164.3 | 85.8 | 0 | 0 | 0 | 112.4 | F1159 V1167 Y1291 F1384 L1388 T1396 | F1159-L1386 HydrophobicContact CE1-CD1 4.48Å; F1159-L1386 HydrophobicContact CE1-CD2 3.85Å; F1159-L1386 HydrophobicContact CZ-CD2 4.2Å; V1167-L1386 HydrophobicContact CG1-CD1 3.98Å; V1167-L1386 HydrophobicContact CG2-CB 4.07Å; V1167-L1386 HydrophobicContact CG2-CD1 4.28Å; V1167-L1386 HydrophobicContact CG2-CD2 4.41Å; Y1291-L1386 HydrophobicContact CD1-CD1 3.7Å; Y1291-L1386 HydrophobicContact CD1-CG 4.37Å; Y1291-L1386 HydrophobicContact CD2-CD1 3.3Å; Y1291-L1386 HydrophobicContact CD2-CG 4.37Å; Y1291-L1386 HydrophobicContact CE1-CD1 3.94Å; Y1291-L1386 HydrophobicContact CE2-CD1 3.56Å; Y1291-L1386 HydrophobicContact CG-CD1 3.35Å; Y1291-L1386 HydrophobicContact CG-CG 4.05Å; F1384-L1386 HydrophobicContact CE1-CB 4.48Å; F1384-L1386 HydrophobicContact CE1-CD1 3.92Å; F1384-L1386 HydrophobicContact CZ-CD1 4.37Å; L1386-L1388 HydrophobicContact CD2-CD1 4.37Å; L1386-L1388 HydrophobicContact CD2-CD2 3.6Å; L1386-L1388 HydrophobicContact CD2-CG 3.91Å; L1386-L1388 HydrophobicContact CG-CD2 3.97Å; L1386-L1388 HydrophobicContact CG-CG 4.38Å; L1386-T1396 HydrophobicContact CD2-CG2 3.5Å; L1386-T1396 VanDerWaalsContact CD2-CG2 3.5Å | ||
| 1387 | K | 88.6 | Confident | 80.5 | Confident | 116 Ų | 116 | 68.1 Ų | 68.1 | 50% | 0.504 | 35% | 0.349 | S | S | . | . | trans | -98.6 | 96.3 | 173.4 | -60.9 | 175 | -172.4 | 167.8 | 0 | 110 | Y1290 Y1291 Q1385 | Y1290-K1387 CarbonylContact C-O 3.53Å; Y1290-K1387 WeakPolarHBondContact CA-O 3.39Å; Y1290-K1387 HydrophobicContact CD1-CB 4.19Å; Y1291-K1387 WeakPolarHBondContact CB-O 3.4Å; Y1291-K1387 PolarHBondContact N-O 3.33Å; Q1385-K1387 PolarHBondContact O-N 2.94Å | ||
| 1388 | L | 85.7 | Confident | 80.2 | Confident | 39 Ų | 39 | 69.8 Ų | 69.8 | 20% | 0.204 | 37% | 0.365 | C | S | . | . | trans | -78.2 | 133 | 173.1 | -62.5 | -173.7 | 0 | 0 | 0 | 111.3 | Y1291 L1386 F1394 | Y1291-L1388 HydrophobicContact CD1-CD2 4.04Å; Y1291-L1388 HydrophobicContact CG-CD2 4.43Å; L1386-L1388 HydrophobicContact CD2-CD1 4.37Å; L1386-L1388 HydrophobicContact CD2-CD2 3.6Å; L1386-L1388 HydrophobicContact CD2-CG 3.91Å; L1386-L1388 HydrophobicContact CG-CD2 3.97Å; L1386-L1388 HydrophobicContact CG-CG 4.38Å; L1388-F1394 HydrophobicContact CD1-CB 4.16Å; L1388-F1394 WeakPolarHBondContact CD1-O 3.33Å; L1388-F1394 HydrophobicContact CD2-CB 3.98Å; L1388-F1394 HydrophobicContact CD2-CD2 4.44Å | ||
| 1389 | G | 82.4 | Confident | 79.4 | Confident | 14 Ų | 14 | 72 Ų | 72 | 14% | 0.144 | 38% | 0.377 | C | S | . | . | trans | -67 | 161.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1391 S1392 | G1389-N1391 PolarHBondContact O-N 3.34Å; G1389-N1391 VanDerWaalsContact O-N 3.13Å; G1389-S1392 WeakPolarHBondContact O-CB 3.43Å; G1389-S1392 PolarHBondContact O-N 3.25Å | ||
| 1390 | P | 74.4 | Confident | 77.9 | Confident | 119 Ų | 119 | 70.7 Ų | 70.7 | 77% | 0.773 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.8 | -170.5 | 23.4 | -34.2 | 0 | 0 | 0 | 114.4 | ||
| 1391 | N | 76 | Confident | 76 | Confident | 138 Ų | 138 | 76.2 Ų | 76.2 | 74% | 0.738 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 14.8 | 179.9 | -62.8 | -13.7 | 0 | 0 | 0 | 112.9 | G1389 | G1389-N1391 PolarHBondContact O-N 3.34Å; G1389-N1391 VanDerWaalsContact O-N 3.13Å |
| 1392 | S | 82.8 | Confident | 74.1 | Confident | 27 Ų | 27 | 82.1 Ų | 82.1 | 19% | 0.189 | 42% | 0.416 | C | S | . | . | trans | -67.5 | 136.3 | -177.3 | -173.8 | 0 | 0 | 0 | 0 | 111.4 | G1389 F1394 | G1389-S1392 WeakPolarHBondContact O-CB 3.43Å; G1389-S1392 PolarHBondContact O-N 3.25Å; S1392-F1394 PolarHBondContact O-N 3.44Å; S1392-F1394 WeakPolarHBondContact OG-CD2 3.34Å | ||
| 1393 | P | 81.3 | Confident | 72.3 | Confident | 32 Ų | 32 | 84.2 Ų | 84.2 | 21% | 0.208 | 41% | 0.414 | C | S | . | . | trans | -75.7 | -1.3 | -179.2 | 31.7 | -36.5 | 0 | 0 | 0 | 114 | D1308 Q1309 Y1395 | D1308-P1393 HydrophobicContact CB-CG 4.01Å; Q1309-P1393 HydrophobicContact CB-CG 4.25Å; Q1309-P1393 HydrophobicContact CG-CG 4.5Å; P1393-Y1395 WeakPolarHBondContact O-CD2 3.41Å; P1393-Y1395 WeakPolarHBondContact O-CE2 3.45Å | ||
| 1394 | F | 86.7 | Confident | 70.3 | Confident | 8 Ų | 8 | 88.5 Ų | 88.5 | 4% | 0.035 | 42% | 0.423 | C | S | . | . | trans | -93.3 | 158.6 | -168.5 | -56.5 | -48.9 | 0 | 0 | 0 | 115.5 | N1139 F1159 Y1291 R1293 D1308 L1388 S1392 | N1139-F1394 HydrophobicContact CB-CD1 4.19Å; N1139-F1394 VanDerWaalsContact OD1-CA 3.27Å; N1139-F1394 WeakPolarHBondContact OD1-CA 3.49Å; N1139-F1394 WeakPolarHBondContact OD1-CB 3.4Å; F1159-F1394 HydrophobicContact CE2-CB 4.23Å; F1159-F1394 HydrophobicContact CE2-CD1 4.03Å; F1159-F1394 AromaticContact CE2-CG 3.99Å; F1159-F1394 HydrophobicContact CE2-CG 3.99Å; F1159-F1394 HydrophobicContact CZ-CB 3.92Å; F1159-F1394 HydrophobicContact CZ-CG 4.09Å; Y1291-F1394 HydrophobicContact CD1-CD2 4.08Å; Y1291-F1394 HydrophobicContact CE1-CD2 4.21Å; Y1291-F1394 HydrophobicContact CE1-CE2 4.47Å; R1293-F1394 HydrophobicContact CB-CE1 4.4Å; R1293-F1394 HydrophobicContact CB-CE2 3.78Å; R1293-F1394 HydrophobicContact CB-CZ 3.47Å; R1293-F1394 VanDerWaalsContact CB-CZ 3.47Å; R1293-F1394 HydrophobicContact CG-CZ 4.49Å; D1308-F1394 HydrophobicContact CB-CE2 4.22Å; D1308-F1394 HydrophobicContact CB-CZ 4.23Å; D1308-F1394 WeakPolarHBondContact OD1-CE2 3.35Å; L1388-F1394 HydrophobicContact CD1-CB 4.16Å; L1388-F1394 WeakPolarHBondContact CD1-O 3.33Å; L1388-F1394 HydrophobicContact CD2-CB 3.98Å; L1388-F1394 HydrophobicContact CD2-CD2 4.44Å; S1392-F1394 PolarHBondContact O-N 3.44Å; S1392-F1394 WeakPolarHBondContact OG-CD2 3.34Å | ||
| 1395 | Y | 80 | Confident | 68 | Low | 94 Ų | 94 | 96.2 Ų | 96.2 | 37% | 0.369 | 46% | 0.457 | S | S | . | . | trans | -134 | 146.7 | -171.7 | -61.5 | -85.2 | 0 | 0 | 0 | 111.2 | Y1138 N1139 P1393 | Y1138-Y1395 HydrophobicContact CD1-CD2 4.46Å; Y1138-Y1395 HydrophobicContact CD1-CG 4.17Å; N1139-Y1395 PolarHBondContact ND2-O 3.05Å; N1139-Y1395 PolarHBondContact OD1-N 3.17Å; N1139-Y1395 PolarHBondContact OD1-O 2.89Å; P1393-Y1395 WeakPolarHBondContact O-CD2 3.41Å; P1393-Y1395 WeakPolarHBondContact O-CE2 3.45Å | ||
| 1396 | T | 72.2 | Confident | 65.5 | Low | 11 Ų | 11 | 96.3 Ų | 96.3 | 7% | 0.067 | 46% | 0.457 | C | S | . | . | trans | -146.9 | 158.5 | 174.3 | 53 | 0 | 0 | 0 | 0 | 111.1 | F1159 L1386 S1398 N1399 L1400 | F1159-T1396 HydrophobicContact CE1-CG2 4.02Å; L1386-T1396 HydrophobicContact CD2-CG2 3.5Å; L1386-T1396 VanDerWaalsContact CD2-CG2 3.5Å; T1396-S1398 PolarHBondContact O-N 3.22Å; T1396-S1398 VanDerWaalsContact O-N 3.08Å; T1396-S1398 PolarHBondContact OG1-OG 2.86Å; T1396-S1398 VanDerWaalsContact OG1-OG 3.11Å; T1396-N1399 PolarHBondContact O-N 2.86Å; T1396-L1400 PolarHBondContact O-N 3.08Å | ||
| 1397 | K | 64 | Low | 62.9 | Low | 98 Ų | 98 | 102.6 Ų | 102.6 | 43% | 0.426 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -51.2 | -31.3 | 176.9 | -67.2 | -178.2 | -178 | 178.7 | 0 | 114.2 | D1165 E1166 | D1165-K1397 HydrophobicContact CB-CG 4.36Å; D1165-K1397 PolarHBondContact O-N 2.87Å; D1165-K1397 WeakPolarHBondContact OD1-CE 3.4Å; D1165-K1397 IonicContact OD1-NZ 3.8Å; D1165-K1397 WeakPolarHBondContact OD2-CE 3.4Å; D1165-K1397 WeakPolarHBondContact OD2-CG 3.38Å; D1165-K1397 IonicContact OD2-NZ 2.74Å; E1166-K1397 VanDerWaalsContact CD-NZ 3.33Å; E1166-K1397 HydrophobicContact CG-CD 4.05Å; E1166-K1397 IonicContact OE1-NZ 3.16Å; E1166-K1397 PolarHBondContact OE1-NZ 3.24Å |
| 1398 | S | 61.8 | Low | 60 | Low | 75 Ų | 75 | 105.9 Ų | 105.9 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.2 | -37.4 | 178.9 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | T1396 | T1396-S1398 PolarHBondContact O-N 3.22Å; T1396-S1398 VanDerWaalsContact O-N 3.08Å; T1396-S1398 PolarHBondContact OG1-OG 2.86Å; T1396-S1398 VanDerWaalsContact OG1-OG 3.11Å |
| 1399 | N | 58.6 | Low | 57.4 | Low | 58 Ų | 58 | 112.1 Ų | 112.1 | 31% | 0.31 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -75.6 | -31.5 | -179.1 | -75.5 | -22.1 | 0 | 0 | 0 | 113 | T1396 R1401 K1402 R1403 | T1396-N1399 PolarHBondContact O-N 2.86Å; N1399-R1401 PolarHBondContact O-N 2.88Å; N1399-K1402 PolarHBondContact O-N 3.12Å; N1399-R1403 PolarHBondContact O-N 3.37Å |
| 1400 | L | 53.9 | Low | 54.9 | Low | 73 Ų | 73 | 115.8 Ų | 115.8 | 38% | 0.382 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -57.1 | -35.3 | 173.4 | -80.2 | 163.2 | 0 | 0 | 0 | 112.9 | T1396 K1402 | T1396-L1400 PolarHBondContact O-N 3.08Å; L1400-K1402 VanDerWaalsContact C-N 3.33Å; L1400-K1402 PolarHBondContact O-N 3.18Å |
| 1401 | R | 48.5 | Very low | 52.8 | Low | 212 Ų | 212 | 120.1 Ų | 120.1 | 80% | 0.8 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.4 | -21.9 | 174.9 | -74.5 | -175.5 | 172.9 | 179.2 | -1 | 113.9 | N1399 | N1399-R1401 PolarHBondContact O-N 2.88Å |
| 1402 | K | 46.1 | Very low | 50.6 | Low | 147 Ų | 147 | 119.5 Ų | 119.5 | 64% | 0.639 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -82 | -50.5 | 175.7 | -70.8 | -179 | 178.3 | 174.2 | 0 | 111.8 | N1399 L1400 K1404 K1405 | N1399-K1402 PolarHBondContact O-N 3.12Å; L1400-K1402 VanDerWaalsContact C-N 3.33Å; L1400-K1402 PolarHBondContact O-N 3.18Å; K1402-K1404 VanDerWaalsContact C-N 3.3Å; K1402-K1404 PolarHBondContact O-N 2.94Å; K1402-K1405 PolarHBondContact O-N 3.2Å |
| 1403 | R | 40.1 | Very low | 48 | Very low | 180 Ų | 180 | 123.7 Ų | 123.7 | 68% | 0.679 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -56.9 | -38.9 | -179 | -87 | -171.9 | 174.1 | 175.1 | 1.1 | 112.9 | N1399 K1405 Q1406 | N1399-R1403 PolarHBondContact O-N 3.37Å; R1403-K1405 PolarHBondContact O-N 2.8Å; R1403-Q1406 PolarHBondContact O-N 3.14Å |
| 1404 | K | 39.8 | Very low | 45.5 | Very low | 194 Ų | 194 | 126.8 Ų | 126.8 | 84% | 0.843 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -2.7 | 175.3 | -78.7 | -168.1 | 173.8 | -175.8 | 0 | 115.6 | K1402 | K1402-K1404 VanDerWaalsContact C-N 3.3Å; K1402-K1404 PolarHBondContact O-N 2.94Å |
| 1405 | K | 35.6 | Very low | 42.6 | Very low | 189 Ų | 189 | 131.7 Ų | 131.7 | 82% | 0.822 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 2.6 | 176.6 | -88.9 | -169.8 | 170.7 | -172.4 | 0 | 114.8 | K1402 R1403 | K1402-K1405 PolarHBondContact O-N 3.2Å; R1403-K1405 PolarHBondContact O-N 2.8Å |
| 1406 | Q | 31.9 | Very low | 40.2 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 77% | 0.766 | 68% | 0.682 | S | S | * | * | trans | -122 | 9.7 | -167.2 | -138.6 | 166.2 | -3.9 | 0 | 0 | 116.3 | R1403 Q1408 | R1403-Q1406 PolarHBondContact O-N 3.14Å; Q1406-Q1408 PolarHBondContact O-N 2.62Å | ||
| 1407 | L | 31.7 | Very low | 38.2 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 87% | 0.869 | 72% | 0.72 | S | S | * | * | trans | -89.3 | 88.7 | 158.8 | -84.4 | 86.7 | 0 | 0 | 0 | 110.2 | ||||
| 1408 | Q | 27.3 | Very low | 36.3 | Very low | 185 Ų | 185 | 143.1 Ų | 143.1 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -140.5 | 86.7 | 160.9 | -83.7 | -158.3 | -24.1 | 0 | 0 | 111.4 | Q1406 | Q1406-Q1408 PolarHBondContact O-N 2.62Š| ||
| 1409 | L | 29.8 | Very low | 35.1 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 90% | 0.895 | 74% | 0.741 | S | S | * | * | trans | -145.5 | 131.3 | 163.1 | -91.5 | 151.5 | 0 | 0 | 0 | 107.1 | ||||
| 1410 | S | 31 | Very low | 33.4 | Very low | 91 Ų | 91 | 149.4 Ų | 149.4 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | -167.4 | 133.5 | -43.3 | 44.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1411 | K | 30.4 | Very low | 32.1 | Very low | 209 Ų | 209 | 151.2 Ų | 151.2 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | trans | 61.3 | 95 | 162.2 | -59.3 | 175.5 | 179.7 | 176.3 | 0 | 118.2 | ||||
| 1412 | S | 29.6 | Very low | 30.9 | Very low | 125 Ų | 125 | 148.1 Ų | 148.1 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | -127.5 | 125.5 | 110.6 | 59 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 1413 | S | 27.9 | Very low | 29.8 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -87.7 | 167.1 | -180 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1414 | S | 28 | Very low | 29.2 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | cis | -161.9 | 151.5 | 21.7 | 47.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1415 | S | 26.6 | Very low | 28.6 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | 63.8 | 147.4 | 158 | 69.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1416 | I | 30.1 | Very low | 28.2 | Very low | 148 Ų | 148 | 139 Ų | 139 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | cis | -139.6 | 134.6 | 32.3 | -83.9 | 178.5 | 0 | 0 | 0 | 112.2 | ||||
| 1417 | F | 29.3 | Very low | 28 | Very low | 197 Ų | 197 | 138.6 Ų | 138.6 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | 53.5 | 153.3 | 155.9 | -83 | -95.4 | 0 | 0 | 0 | 124.8 | ||||
| 1418 | S | 25.3 | Very low | 27.7 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | -114.7 | 170.5 | -161.9 | 50.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1419 | P | 35.5 | Very low | 27.7 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | trans | -97.6 | 167.1 | -175.2 | 38.3 | -35.1 | 0 | 0 | 0 | 114.2 | ||||
| 1420 | L | 23.3 | Very low | 27.6 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -179.5 | 160.1 | 131.7 | -119.9 | 68.2 | 0 | 0 | 0 | 114.6 | ||||
| 1421 | V | 25.7 | Very low | 27.4 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 67% | 0.673 | 77% | 0.767 | S | S | * | * | trans | 57 | 108 | 147.9 | 176.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1422 | I | 23.7 | Very low | 27.3 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | 38.6 | 105.7 | 125.4 | -48.6 | 174.5 | 0 | 0 | 0 | 119.9 | |||||
| 1423 | S | 23.5 | Very low | 27.1 | Very low | 90 Ų | 90 | 133.1 Ų | 133.1 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | trans | 75.4 | 133.7 | 140.4 | 81.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1424 | N | 27.3 | Very low | 27.3 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | trans | 66.8 | 109.9 | 147.2 | -57.9 | -5.3 | 0 | 0 | 0 | 119.2 | ||||
| 1425 | G | 27.4 | Very low | 27.4 | Very low | 71 Ų | 71 | 137 Ų | 137 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | trans | -177 | 23.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1426 | F | 26.7 | Very low | 27.6 | Very low | 196 Ų | 196 | 136.9 Ų | 136.9 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | 58.7 | 124.5 | 162.5 | -86.8 | -103.2 | 0 | 0 | 0 | 121.8 | ||||
| 1427 | L | 27.8 | Very low | 27.6 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 81% | 0.806 | 73% | 0.733 | S | S | * | * | trans | 43 | 117.3 | 143.4 | -88.5 | 162.9 | 0 | 0 | 0 | 121.6 | ||||
| 1428 | T | 24.8 | Very low | 27.7 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | -89.5 | 150.3 | 154.8 | 51.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1429 | D | 28.3 | Very low | 28.1 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | trans | -155.8 | 133.7 | 139.5 | -104.3 | -21.3 | 0 | 0 | 0 | 111.8 | ||||
| 1430 | F | 26.8 | Very low | 27.6 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | trans | 44.3 | 111.5 | 156.2 | -71 | -97.4 | 0 | 0 | 0 | 120.3 | ||||
| 1431 | N | 26.6 | Very low | 28 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | 79.9 | 151 | 86.7 | -87.2 | -20.3 | 0 | 0 | 0 | 114.1 | |||||
| 1432 | I | 28.9 | Very low | 28.2 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | cis | -164.7 | 150.9 | 27.6 | -132.1 | 158.8 | 0 | 0 | 0 | 112.2 | ||||
| 1433 | L | 26 | Very low | 28.3 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | 55.6 | 157.6 | 165.3 | -88.7 | 59.8 | 0 | 0 | 0 | 118.3 | ||||
| 1434 | N | 30.9 | Very low | 28.7 | Very low | 123 Ų | 123 | 138 Ų | 138 | 66% | 0.658 | 75% | 0.746 | S | S | * | * | cis | -163.1 | 173.7 | 21.4 | -127.4 | -24.2 | 0 | 0 | 0 | 108.2 | ||||
| 1435 | K | 30.9 | Very low | 28.8 | Very low | 170 Ų | 170 | 136 Ų | 136 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | cis | -157.1 | 168.2 | -4.8 | -160.6 | 162.9 | -178.8 | -178 | 0 | 111.9 | ||||
| 1436 | N | 31.5 | Very low | 28.9 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 58% | 0.578 | 74% | 0.742 | S | S | * | * | trans | -24.4 | 132.3 | 174.5 | -59.6 | 46.3 | 0 | 0 | 0 | 124.4 | ||||
| 1437 | E | 28.8 | Very low | 29.1 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | 81.1 | 134.3 | 118 | -72 | -178.9 | -118.1 | 0 | 0 | 127.3 | |||||
| 1438 | N | 32.4 | Very low | 29.1 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 66% | 0.663 | 72% | 0.722 | S | S | * | * | trans | 92.8 | 115.5 | 139.2 | -73.9 | -39 | 0 | 0 | 0 | 124.1 | ||||
| 1439 | K | 32.6 | Very low | 29.3 | Very low | 189 Ų | 189 | 138.8 Ų | 138.8 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | 69.3 | 97.6 | 141.1 | -65.8 | -178 | 179 | 176.9 | 0 | 122.6 | ||||
| 1440 | C | 26.5 | Very low | 29.2 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | 50.3 | 119.2 | 126.4 | -64.8 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1441 | L | 30.3 | Very low | 29.4 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 84% | 0.843 | 72% | 0.72 | S | S | * | * | 109.7 | 137.1 | 127.7 | -123.8 | 78.1 | 0 | 0 | 0 | 121 | |||||
| 1442 | S | 31.2 | Very low | 29.4 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | trans | 61.7 | 108.8 | 161.1 | 45.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1443 | C | 25.9 | Very low | 29.9 | Very low | 122 Ų | 122 | 134 Ų | 134 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | 40.5 | 130.6 | 125.8 | -50.3 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 1444 | T | 31.8 | Very low | 29.9 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | cis | -161.9 | 147.2 | 45.1 | 46.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1445 | T | 28.6 | Very low | 30.5 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | trans | 48.4 | 121.2 | 144.2 | 59.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 1446 | K | 29.1 | Very low | 30.6 | Very low | 183 Ų | 183 | 130.4 Ų | 130.4 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | 81.2 | 131.7 | 129.6 | -79.6 | -168.5 | 171.5 | -173.5 | 0 | 122.5 | |||||
| 1447 | N | 31.3 | Very low | 30.7 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 65% | 0.647 | 73% | 0.732 | S | S | * | * | trans | 72.3 | 148.8 | 140.6 | -70.2 | 46.7 | 0 | 0 | 0 | 117.7 | ||||
| 1448 | D | 28.5 | Very low | 30.9 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 60% | 0.599 | 74% | 0.735 | S | S | * | * | cis | -159.8 | 158.7 | 2.3 | -114 | -23.3 | 0 | 0 | 0 | 113 | ||||
| 1449 | F | 28.7 | Very low | 30.9 | Very low | 187 Ų | 187 | 129.4 Ų | 129.4 | 82% | 0.82 | 74% | 0.742 | S | S | * | * | trans | 64.7 | 165.5 | 151.1 | -81 | -128.4 | 0 | 0 | 0 | 119.4 | ||||
| 1450 | S | 26.8 | Very low | 31 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 56% | 0.559 | 74% | 0.736 | S | S | * | * | cis | -174.6 | 176.6 | -26.4 | 58 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1451 | L | 30.9 | Very low | 31.1 | Very low | 149 Ų | 149 | 127.1 Ų | 127.1 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | trans | 77.9 | 137.4 | 166.2 | -57.4 | 153.4 | 0 | 0 | 0 | 116.1 | ||||
| 1452 | D | 27 | Very low | 31.3 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | cis | 99.9 | 158.3 | 30.4 | -84.3 | -40.3 | 0 | 0 | 0 | 113.9 | ||||
| 1453 | P | 39.1 | Very low | 31.2 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | cis | -148.1 | 149 | -24.3 | 35.9 | -15.8 | 0 | 0 | 0 | 118.2 | ||||
| 1454 | S | 26.2 | Very low | 31.4 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 74% | 0.741 | 72% | 0.723 | S | S | * | * | trans | 58.6 | -171.8 | 138.6 | 81.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1455 | P | 42.1 | Very low | 31.4 | Very low | 101 Ų | 101 | 126.8 Ų | 126.8 | 66% | 0.656 | 72% | 0.724 | S | S | * | * | cis | -133 | -162.2 | -11.8 | 34.1 | -11.5 | 0 | 0 | 0 | 114.9 | ||||
| 1456 | L | 32.9 | Very low | 31.3 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 80% | 0.801 | 73% | 0.727 | S | S | * | * | trans | 82 | 150.7 | 172 | -47.1 | -176.8 | 0 | 0 | 0 | 114.2 | ||||
| 1457 | I | 33.8 | Very low | 31.6 | Very low | 150 Ų | 150 | 124.2 Ų | 124.2 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | cis | -160.9 | 154.4 | -7 | -118.6 | 173.2 | 0 | 0 | 0 | 107.5 | ||||
| 1458 | A | 34.3 | Very low | 31.4 | Very low | 91 Ų | 91 | 125.2 Ų | 125.2 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | cis | -151.1 | -101.1 | -4.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1459 | S | 32.5 | Very low | 31.6 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | -88.2 | 154.8 | -169.6 | 49.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 1460 | S | 33.8 | Very low | 31.4 | Very low | 102 Ų | 102 | 126 Ų | 126 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | cis | -146.2 | 132.6 | 5.1 | 45.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1461 | H | 29.1 | Very low | 31.7 | Very low | 161 Ų | 161 | 130.3 Ų | 130.3 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | 51.7 | 131 | 84.8 | -70.3 | -4.4 | 0 | 0 | 0 | 114.4 | |||||
| 1462 | S | 33.1 | Very low | 31.6 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | cis | -114 | 143.1 | 12.4 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1463 | N | 28.8 | Very low | 31.8 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | 57.4 | 126.9 | 61.4 | -55.3 | -10 | 0 | 0 | 0 | 111 | |||||
| 1464 | T | 32.1 | Very low | 31.2 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | cis | -152.1 | 170.1 | 35.4 | 41.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1465 | L | 30.8 | Very low | 31.2 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | cis | -153.7 | 121.4 | -3.6 | -117.5 | 162.5 | 0 | 0 | 0 | 110.5 | ||||
| 1466 | L | 26.9 | Very low | 30.6 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | 21.5 | 163.9 | 137.4 | -86.8 | 76.4 | 0 | 0 | 0 | 124.7 | ||||
| 1467 | P | 35.5 | Very low | 30.3 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | trans | -145.5 | -158.5 | -131.8 | 43.9 | -21 | 0 | 0 | 0 | 116.1 | ||||
| 1468 | N | 26 | Very low | 30 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | 52.2 | 123.8 | 146 | -66.3 | -19.1 | 0 | 0 | 0 | 121.3 | ||||
| 1469 | S | 32.6 | Very low | 29.8 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | -135.2 | 157.9 | 125.8 | 69.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1470 | K | 25.8 | Very low | 30 | Very low | 192 Ų | 192 | 138.5 Ų | 138.5 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | trans | -122.6 | 136 | -179.5 | -70.9 | 177 | 177.9 | 174.3 | 0 | 109.8 | ||||
| 1471 | I | 32 | Very low | 30 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | trans | -132 | 149.4 | 154.6 | -64.6 | -174.3 | 0 | 0 | 0 | 108 | ||||
| 1472 | Q | 28.9 | Very low | 30.5 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | -83.5 | 159.3 | -167.8 | -77.9 | 174.5 | -69.7 | 0 | 0 | 114.5 | ||||
| 1473 | P | 32 | Very low | 31.3 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | trans | -93 | 166.2 | -178.1 | 38.3 | -36.9 | 0 | 0 | 0 | 113.2 | ||||
| 1474 | T | 25.1 | Very low | 32.8 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | trans | -168.1 | 163.3 | 136.4 | 8.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1475 | I | 26.3 | Very low | 34.3 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 80% | 0.8 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 71.9 | 146.4 | 172 | -28.2 | -172.6 | 0 | 0 | 0 | 115.9 | ||
| 1476 | I | 31.1 | Very low | 35.7 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | 69.7 | 99.6 | 175.7 | -45.2 | -170.3 | 0 | 0 | 0 | 116.5 | ||||
| 1477 | T | 25.2 | Very low | 37.8 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 72% | 0.724 | 71% | 0.709 | S | S | * | * | trans | -24.8 | 136.6 | 154.6 | 50.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1478 | F | 27.8 | Very low | 39.9 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 81% | 0.807 | 70% | 0.699 | S | S | * | * | -171.5 | 139.2 | 121.7 | -122.7 | -107.7 | 0 | 0 | 0 | 112.9 | |||||
| 1479 | T | 31 | Very low | 42.3 | Very low | 83 Ų | 83 | 130.1 Ų | 130.1 | 51% | 0.509 | 68% | 0.68 | S | S | . | * | trans | 28.4 | 138.9 | 155.7 | 57.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1480 | K | 36 | Very low | 44.4 | Very low | 151 Ų | 151 | 129 Ų | 129 | 66% | 0.657 | 66% | 0.664 | S | S | * | * | -163.3 | 114.4 | 108.9 | -111.3 | 161.1 | -177.7 | 169.9 | 0 | 115.9 | L1482 I1484 | K1480-L1482 HydrophobicContact CG-CB 3.89Å; K1480-I1484 HydrophobicContact CD-CD1 4.15Å; K1480-I1484 HydrophobicContact CD-CG1 4.3Å | |||
| 1481 | S | 33.9 | Very low | 47.2 | Very low | 131 Ų | 131 | 124.7 Ų | 124.7 | 92% | 0.916 | 65% | 0.649 | S | S | * | * | -123.8 | 38.8 | 129.7 | 69.8 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 1482 | L | 40 | Very low | 49.7 | Very low | 91 Ų | 91 | 120.9 Ų | 120.9 | 48% | 0.476 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -87.2 | 120.4 | 175.8 | -109.6 | 167.3 | 0 | 0 | 0 | 108.2 | K1480 I1484 F1487 | K1480-L1482 HydrophobicContact CG-CB 3.89Å; L1482-I1484 PolarHBondContact O-N 3.29Å; L1482-F1487 HydrophobicContact CD2-CE2 4.31Å |
| 1483 | N | 49.9 | Very low | 52.2 | Low | 115 Ų | 115 | 115.5 Ų | 115.5 | 62% | 0.615 | 61% | 0.61 | S | S | * | * | trans | -73 | 100.5 | -168 | -153.9 | -3.8 | 0 | 0 | 0 | 110.3 | W1485 L1486 F1487 | N1483-W1485 PolarHBondContact O-N 3.44Å; N1483-L1486 HydrophobicContact CB-CB 4.29Å; N1483-L1486 WeakPolarHBondContact O-CB 3.42Å; N1483-L1486 PolarHBondContact O-N 2.74Å; N1483-F1487 PolarHBondContact O-N 2.97Å | ||
| 1484 | I | 60.1 | Low | 54.7 | Low | 90 Ų | 90 | 111.4 Ų | 111.4 | 46% | 0.462 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -58.7 | -35.8 | -172.6 | -66.1 | 174.8 | 0 | 0 | 0 | 111.2 | K1480 L1482 L1486 F1487 I1488 | K1480-I1484 HydrophobicContact CD-CD1 4.15Å; K1480-I1484 HydrophobicContact CD-CG1 4.3Å; L1482-I1484 PolarHBondContact O-N 3.29Å; I1484-L1486 VanDerWaalsContact C-N 3.3Å; I1484-L1486 PolarHBondContact O-N 2.98Å; I1484-F1487 PolarHBondContact O-N 3.04Å; I1484-F1487 VanDerWaalsContact O-N 3.17Å; I1484-I1488 HydrophobicContact CG2-CD1 3.78Å; I1484-I1488 HydrophobicContact CG2-CG1 4.24Å; I1484-I1488 WeakPolarHBondContact O-CG1 3.31Å; I1484-I1488 PolarHBondContact O-N 3.4Å |
| 1485 | W | 63.9 | Low | 57.6 | Low | 188 Ų | 188 | 109.9 Ų | 109.9 | 71% | 0.712 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59 | -36.2 | 173.8 | -99.3 | 91.5 | 0 | 0 | 0 | 113.4 | N1483 I1488 C1489 | N1483-W1485 PolarHBondContact O-N 3.44Å; W1485-I1488 PolarHBondContact O-N 3.16Å; W1485-C1489 WeakPolarHBondContact O-CB 3.35Å; W1485-C1489 PolarHBondContact O-N 3.02Å; W1485-C1489 PolarHBondContact O-SG 2.97Å |
| 1486 | L | 59.6 | Low | 60.6 | Low | 108 Ų | 108 | 107.3 Ų | 107.3 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.4 | -39.9 | 176.3 | -169.3 | 75.2 | 0 | 0 | 0 | 111.2 | N1483 I1484 C1489 L1490 | N1483-L1486 HydrophobicContact CB-CB 4.29Å; N1483-L1486 WeakPolarHBondContact O-CB 3.42Å; N1483-L1486 PolarHBondContact O-N 2.74Å; I1484-L1486 VanDerWaalsContact C-N 3.3Å; I1484-L1486 PolarHBondContact O-N 2.98Å; L1486-C1489 PolarHBondContact O-N 3.2Å; L1486-L1490 HydrophobicContact CG-CD1 4.22Å; L1486-L1490 WeakPolarHBondContact O-CB 3.47Å; L1486-L1490 VanDerWaalsContact O-CG 3.31Å; L1486-L1490 WeakPolarHBondContact O-CG 3.4Å; L1486-L1490 PolarHBondContact O-N 3.4Å |
| 1487 | F | 70.9 | Confident | 63.1 | Low | 118 Ų | 118 | 105.1 Ų | 105.1 | 52% | 0.518 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -69.1 | -38.8 | 175.1 | -104.8 | -83.9 | 0 | 0 | 0 | 112.4 | L1482 N1483 I1484 L1490 I1491 | L1482-F1487 HydrophobicContact CD2-CE2 4.31Å; N1483-F1487 PolarHBondContact O-N 2.97Å; I1484-F1487 PolarHBondContact O-N 3.04Å; I1484-F1487 VanDerWaalsContact O-N 3.17Å; F1487-L1490 PolarHBondContact O-N 2.9Å; F1487-I1491 WeakPolarHBondContact O-CB 2.97Å; F1487-I1491 WeakPolarHBondContact O-CD1 3.23Å; F1487-I1491 VanDerWaalsContact O-CG1 3.23Å; F1487-I1491 WeakPolarHBondContact O-CG1 3.07Å; F1487-I1491 PolarHBondContact O-N 2.88Å |
| 1488 | I | 79.5 | Confident | 66.1 | Low | 78 Ų | 78 | 105.3 Ų | 105.3 | 40% | 0.4 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 172.8 | -71.3 | 172.1 | 0 | 0 | 0 | 110.2 | I1484 W1485 I1491 L1492 | I1484-I1488 HydrophobicContact CG2-CD1 3.78Å; I1484-I1488 HydrophobicContact CG2-CG1 4.24Å; I1484-I1488 WeakPolarHBondContact O-CG1 3.31Å; I1484-I1488 PolarHBondContact O-N 3.4Å; W1485-I1488 PolarHBondContact O-N 3.16Å; I1488-I1491 PolarHBondContact O-N 3.11Å; I1488-L1492 HydrophobicContact CG2-CD1 3.83Å; I1488-L1492 WeakPolarHBondContact O-CB 3.39Å; I1488-L1492 PolarHBondContact O-N 3.34Å |
| 1489 | C | 76.6 | Confident | 68.8 | Low | 55 Ų | 55 | 100.1 Ų | 100.1 | 37% | 0.372 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 175.4 | -71.9 | 0 | 0 | 0 | 0 | 112.6 | W1485 L1486 L1492 T1493 | W1485-C1489 WeakPolarHBondContact O-CB 3.35Å; W1485-C1489 PolarHBondContact O-N 3.02Å; W1485-C1489 PolarHBondContact O-SG 2.97Å; L1486-C1489 PolarHBondContact O-N 3.2Å; C1489-L1492 PolarHBondContact O-N 2.71Å; C1489-T1493 WeakPolarHBondContact O-CG2 3.46Å; C1489-T1493 PolarHBondContact O-N 2.86Å; C1489-T1493 PolarHBondContact O-OG1 2.9Å; C1489-T1493 VanDerWaalsContact O-OG1 3.11Å |
| 1490 | L | 78.1 | Confident | 71.2 | Confident | 99 Ų | 99 | 98.7 Ų | 98.7 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.2 | -34.3 | 176.4 | -76.5 | 167.7 | 0 | 0 | 0 | 112.8 | L1486 F1487 T1493 G1494 | L1486-L1490 HydrophobicContact CG-CD1 4.22Å; L1486-L1490 WeakPolarHBondContact O-CB 3.47Å; L1486-L1490 VanDerWaalsContact O-CG 3.31Å; L1486-L1490 WeakPolarHBondContact O-CG 3.4Å; L1486-L1490 PolarHBondContact O-N 3.4Å; F1487-L1490 PolarHBondContact O-N 2.9Å; L1490-T1493 WeakPolarHBondContact CA-OG1 3.39Å; L1490-T1493 PolarHBondContact O-OG1 3.24Å; L1490-G1494 PolarHBondContact O-N 2.79Å |
| 1491 | I | 84.5 | Confident | 73.4 | Confident | 100 Ų | 100 | 97.8 Ų | 97.8 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.8 | -39.2 | 172.5 | -69.7 | 164.8 | 0 | 0 | 0 | 110.3 | F1487 I1488 G1494 L1495 | F1487-I1491 WeakPolarHBondContact O-CB 2.97Å; F1487-I1491 WeakPolarHBondContact O-CD1 3.23Å; F1487-I1491 VanDerWaalsContact O-CG1 3.23Å; F1487-I1491 WeakPolarHBondContact O-CG1 3.07Å; F1487-I1491 PolarHBondContact O-N 2.88Å; I1488-I1491 PolarHBondContact O-N 3.11Å; I1491-G1494 PolarHBondContact O-N 3.4Å; I1491-L1495 HydrophobicContact CG2-CD1 3.97Å; I1491-L1495 HydrophobicContact CG2-CG 4.46Å; I1491-L1495 WeakPolarHBondContact O-CB 2.97Å; I1491-L1495 VanDerWaalsContact O-CG 3.25Å; I1491-L1495 WeakPolarHBondContact O-CG 3.49Å; I1491-L1495 PolarHBondContact O-N 3.44Å |
| 1492 | L | 83.7 | Confident | 75.9 | Confident | 92 Ų | 92 | 93.3 Ų | 93.3 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | 174.6 | -96.2 | 148 | 0 | 0 | 0 | 112.5 | I1488 C1489 G1494 L1495 I1496 | I1488-L1492 HydrophobicContact CG2-CD1 3.83Å; I1488-L1492 WeakPolarHBondContact O-CB 3.39Å; I1488-L1492 PolarHBondContact O-N 3.34Å; C1489-L1492 PolarHBondContact O-N 2.71Å; L1492-G1494 VanDerWaalsContact C-N 3.32Å; L1492-L1495 PolarHBondContact O-N 3.4Å; L1492-I1496 WeakPolarHBondContact O-CB 3.48Å; L1492-I1496 WeakPolarHBondContact O-CD1 3.44Å; L1492-I1496 WeakPolarHBondContact O-CG1 2.98Å; L1492-I1496 PolarHBondContact O-N 3.17Å |
| 1493 | T | 80.3 | Confident | 78.1 | Confident | 72 Ų | 72 | 94.5 Ų | 94.5 | 44% | 0.442 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.7 | -34.1 | 174.6 | 55.6 | 0 | 0 | 0 | 0 | 111.6 | C1489 L1490 I1496 L1497 | C1489-T1493 WeakPolarHBondContact O-CG2 3.46Å; C1489-T1493 PolarHBondContact O-N 2.86Å; C1489-T1493 PolarHBondContact O-OG1 2.9Å; C1489-T1493 VanDerWaalsContact O-OG1 3.11Å; L1490-T1493 WeakPolarHBondContact CA-OG1 3.39Å; L1490-T1493 PolarHBondContact O-OG1 3.24Å; T1493-I1496 PolarHBondContact O-N 2.93Å; T1493-L1497 WeakPolarHBondContact O-CB 3.32Å; T1493-L1497 WeakPolarHBondContact O-CG 3.35Å; T1493-L1497 PolarHBondContact O-N 3.19Å |
| 1494 | G | 84.9 | Confident | 79.4 | Confident | 25 Ų | 25 | 93.9 Ų | 93.9 | 26% | 0.258 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1490 I1491 L1492 L1497 I1498 | L1490-G1494 PolarHBondContact O-N 2.79Å; I1491-G1494 PolarHBondContact O-N 3.4Å; L1492-G1494 VanDerWaalsContact C-N 3.32Å; G1494-L1497 PolarHBondContact O-N 3.01Å; G1494-I1498 WeakPolarHBondContact O-CB 3.26Å; G1494-I1498 WeakPolarHBondContact O-CD1 3.11Å; G1494-I1498 WeakPolarHBondContact O-CG1 3.16Å; G1494-I1498 PolarHBondContact O-N 3.21Å |
| 1495 | L | 86.8 | Confident | 80.3 | Confident | 103 Ų | 103 | 94.6 Ų | 94.6 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.5 | -34.5 | 175.8 | -75.2 | 168.1 | 0 | 0 | 0 | 112.6 | I1491 L1492 S1499 | I1491-L1495 HydrophobicContact CG2-CD1 3.97Å; I1491-L1495 HydrophobicContact CG2-CG 4.46Å; I1491-L1495 WeakPolarHBondContact O-CB 2.97Å; I1491-L1495 VanDerWaalsContact O-CG 3.25Å; I1491-L1495 WeakPolarHBondContact O-CG 3.49Å; I1491-L1495 PolarHBondContact O-N 3.44Å; L1492-L1495 PolarHBondContact O-N 3.4Å; L1495-S1499 VanDerWaalsContact O-CB 3.3Å; L1495-S1499 WeakPolarHBondContact O-CB 3.27Å; L1495-S1499 PolarHBondContact O-N 3.22Å; L1495-S1499 PolarHBondContact O-OG 2.86Å |
| 1496 | I | 88.3 | Confident | 81.3 | Confident | 102 Ų | 102 | 91.7 Ų | 91.7 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.4 | -37.1 | 173.6 | -69.4 | 162.2 | 0 | 0 | 0 | 111 | L1492 T1493 S1499 S1500 | L1492-I1496 WeakPolarHBondContact O-CB 3.48Å; L1492-I1496 WeakPolarHBondContact O-CD1 3.44Å; L1492-I1496 WeakPolarHBondContact O-CG1 2.98Å; L1492-I1496 PolarHBondContact O-N 3.17Å; T1493-I1496 PolarHBondContact O-N 2.93Å; I1496-S1499 PolarHBondContact O-OG 3.25Å; I1496-S1500 VanDerWaalsContact O-CB 3.24Å; I1496-S1500 WeakPolarHBondContact O-CB 3.33Å; I1496-S1500 PolarHBondContact O-N 2.64Å; I1496-S1500 PolarHBondContact O-OG 3.15Å |
| 1497 | L | 84.7 | Confident | 81.7 | Confident | 104 Ų | 104 | 93.8 Ų | 93.8 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.5 | -38 | 173.1 | -77.6 | 166.7 | 0 | 0 | 0 | 112 | T1493 G1494 S1500 F1501 | T1493-L1497 WeakPolarHBondContact O-CB 3.32Å; T1493-L1497 WeakPolarHBondContact O-CG 3.35Å; T1493-L1497 PolarHBondContact O-N 3.19Å; G1494-L1497 PolarHBondContact O-N 3.01Å; L1497-S1500 WeakPolarHBondContact CA-OG 3.39Å; L1497-S1500 PolarHBondContact O-N 2.96Å; L1497-S1500 PolarHBondContact O-OG 2.83Å; L1497-S1500 VanDerWaalsContact O-OG 3.09Å; L1497-F1501 WeakPolarHBondContact O-CB 3.43Å; L1497-F1501 PolarHBondContact O-N 3.24Å |
| 1498 | I | 88.2 | Confident | 81.3 | Confident | 122 Ų | 122 | 91.8 Ų | 91.8 | 63% | 0.626 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.9 | -37.2 | 174.9 | -70.5 | 164.8 | 0 | 0 | 0 | 110.8 | G1494 G1502 | G1494-I1498 WeakPolarHBondContact O-CB 3.26Å; G1494-I1498 WeakPolarHBondContact O-CD1 3.11Å; G1494-I1498 WeakPolarHBondContact O-CG1 3.16Å; G1494-I1498 PolarHBondContact O-N 3.21Å; I1498-G1502 WeakPolarHBondContact O-CA 3.42Å; I1498-G1502 PolarHBondContact O-N 2.96Å |
| 1499 | S | 83.9 | Confident | 80.6 | Confident | 75 Ų | 75 | 91.2 Ų | 91.2 | 52% | 0.524 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73.9 | -33.2 | 174.6 | 74.9 | 0 | 0 | 0 | 0 | 112.3 | L1495 I1496 G1502 F1503 | L1495-S1499 VanDerWaalsContact O-CB 3.3Å; L1495-S1499 WeakPolarHBondContact O-CB 3.27Å; L1495-S1499 PolarHBondContact O-N 3.22Å; L1495-S1499 PolarHBondContact O-OG 2.86Å; I1496-S1499 PolarHBondContact O-OG 3.25Å; S1499-G1502 PolarHBondContact O-N 3.4Å; S1499-F1503 VanDerWaalsContact O-CB 3.23Å; S1499-F1503 WeakPolarHBondContact O-CB 3.46Å; S1499-F1503 PolarHBondContact O-N 3.06Å |
| 1500 | S | 82.2 | Confident | 79.9 | Confident | 53 Ų | 53 | 93 Ų | 93 | 37% | 0.371 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.2 | -43.2 | 174 | 75.3 | 0 | 0 | 0 | 0 | 111.9 | I1496 L1497 F1503 L1504 | I1496-S1500 VanDerWaalsContact O-CB 3.24Å; I1496-S1500 WeakPolarHBondContact O-CB 3.33Å; I1496-S1500 PolarHBondContact O-N 2.64Å; I1496-S1500 PolarHBondContact O-OG 3.15Å; L1497-S1500 WeakPolarHBondContact CA-OG 3.39Å; L1497-S1500 PolarHBondContact O-N 2.96Å; L1497-S1500 PolarHBondContact O-OG 2.83Å; L1497-S1500 VanDerWaalsContact O-OG 3.09Å; S1500-F1503 PolarHBondContact O-N 2.66Å; S1500-L1504 WeakPolarHBondContact O-CB 3.18Å; S1500-L1504 PolarHBondContact O-N 3.28Å |
| 1501 | F | 82.5 | Confident | 78.5 | Confident | 132 Ų | 132 | 94.4 Ų | 94.4 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.6 | -39 | 169.9 | -96.4 | -84.9 | 0 | 0 | 0 | 112.1 | L1497 F1503 L1504 I1505 | L1497-F1501 WeakPolarHBondContact O-CB 3.43Å; L1497-F1501 PolarHBondContact O-N 3.24Å; F1501-F1503 VanDerWaalsContact C-N 3.33Å; F1501-F1503 PolarHBondContact O-N 3.06Å; F1501-L1504 PolarHBondContact O-N 3.13Å; F1501-I1505 WeakPolarHBondContact O-CB 3.26Å; F1501-I1505 VanDerWaalsContact O-CG1 3.24Å; F1501-I1505 WeakPolarHBondContact O-CG1 3.4Å; F1501-I1505 PolarHBondContact O-N 2.02Å |
| 1502 | G | 85.7 | Confident | 76.5 | Confident | 38 Ų | 38 | 99.4 Ų | 99.4 | 39% | 0.392 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1498 S1499 Y1506 | I1498-G1502 WeakPolarHBondContact O-CA 3.42Å; I1498-G1502 PolarHBondContact O-N 2.96Å; S1499-G1502 PolarHBondContact O-N 3.4Å; G1502-Y1506 WeakPolarHBondContact O-CB 3.2Å; G1502-Y1506 PolarHBondContact O-N 2.92Å |
| 1503 | F | 85.1 | Confident | 74.3 | Confident | 116 Ų | 116 | 101.2 Ų | 101.2 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.4 | -34.5 | 174.6 | -174.7 | -100.2 | 0 | 0 | 0 | 112.7 | S1499 S1500 F1501 Y1506 R1507 | S1499-F1503 VanDerWaalsContact O-CB 3.23Å; S1499-F1503 WeakPolarHBondContact O-CB 3.46Å; S1499-F1503 PolarHBondContact O-N 3.06Å; S1500-F1503 PolarHBondContact O-N 2.66Å; F1501-F1503 VanDerWaalsContact C-N 3.33Å; F1501-F1503 PolarHBondContact O-N 3.06Å; F1503-Y1506 PolarHBondContact O-N 3.11Å; F1503-R1507 HydrophobicContact CE1-CG 4.1Å; F1503-R1507 HydrophobicContact CZ-CG 4.23Å; F1503-R1507 WeakPolarHBondContact O-CB 3.29Å; F1503-R1507 PolarHBondContact O-N 3.07Å |
| 1504 | L | 77.1 | Confident | 72.4 | Confident | 101 Ų | 101 | 106 Ų | 106 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.8 | -45.7 | 174 | -125.2 | 164.7 | 0 | 0 | 0 | 110.7 | S1500 F1501 R1507 C1508 | S1500-L1504 WeakPolarHBondContact O-CB 3.18Å; S1500-L1504 PolarHBondContact O-N 3.28Å; F1501-L1504 PolarHBondContact O-N 3.13Å; L1504-R1507 PolarHBondContact O-N 3.09Å; L1504-C1508 WeakPolarHBondContact O-CB 3.4Å; L1504-C1508 PolarHBondContact O-N 2.88Å; L1504-C1508 PolarHBondContact O-SG 3.44Å |
| 1505 | I | 80.4 | Confident | 69.8 | Low | 105 Ų | 105 | 113.9 Ų | 113.9 | 54% | 0.538 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.7 | -44.7 | 172.7 | -69.2 | 166.1 | 0 | 0 | 0 | 110 | F1501 R1507 C1508 T1509 | F1501-I1505 WeakPolarHBondContact O-CB 3.26Å; F1501-I1505 VanDerWaalsContact O-CG1 3.24Å; F1501-I1505 WeakPolarHBondContact O-CG1 3.4Å; F1501-I1505 PolarHBondContact O-N 2.02Å; I1505-R1507 PolarHBondContact O-N 2.97Å; I1505-C1508 CarbonylContact O-C 3.5Å; I1505-C1508 PolarHBondContact O-N 3.06Å; I1505-C1508 VanDerWaalsContact O-N 3.15Å; I1505-T1509 HydrophobicContact CG2-CG2 4.43Å; I1505-T1509 WeakPolarHBondContact O-CG2 3.48Å; I1505-T1509 PolarHBondContact O-N 3.32Å; I1505-T1509 PolarHBondContact O-OG1 3.29Å |
| 1506 | Y | 84.3 | Confident | 67 | Low | 127 Ų | 127 | 116.3 Ų | 116.3 | 50% | 0.498 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.7 | -41.5 | 176 | 179.8 | -97.4 | 0 | 0 | 0 | 112.7 | G1502 F1503 T1509 Q1510 | G1502-Y1506 WeakPolarHBondContact O-CB 3.2Å; G1502-Y1506 PolarHBondContact O-N 2.92Å; F1503-Y1506 PolarHBondContact O-N 3.11Å; Y1506-T1509 WeakPolarHBondContact CA-OG1 3.24Å; Y1506-T1509 PolarHBondContact O-N 3.28Å; Y1506-T1509 PolarHBondContact O-OG1 2.58Å; Y1506-T1509 VanDerWaalsContact O-OG1 3.1Å; Y1506-Q1510 HydrophobicContact CD1-CG 4.41Å; Y1506-Q1510 VanDerWaalsContact CE1-CD 3.45Å; Y1506-Q1510 HydrophobicContact CE1-CG 4.05Å; Y1506-Q1510 WeakPolarHBondContact O-CB 3.46Å; Y1506-Q1510 WeakPolarHBondContact O-CG 3.01Å; Y1506-Q1510 PolarHBondContact O-N 2.84Å; Y1506-Q1510 PolarHBondContact OH-NE2 3.07Å; Y1506-Q1510 VanDerWaalsContact OH-NE2 3.16Å |
| 1507 | R | 69.1 | Low | 64.2 | Low | 153 Ų | 153 | 120.9 Ų | 120.9 | 58% | 0.577 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.4 | -36.1 | 171.8 | -87.2 | -163.8 | 165.7 | -152 | -2.4 | 112.3 | F1503 L1504 I1505 N1511 | F1503-R1507 HydrophobicContact CE1-CG 4.1Å; F1503-R1507 HydrophobicContact CZ-CG 4.23Å; F1503-R1507 WeakPolarHBondContact O-CB 3.29Å; F1503-R1507 PolarHBondContact O-N 3.07Å; L1504-R1507 PolarHBondContact O-N 3.09Å; I1505-R1507 PolarHBondContact O-N 2.97Å; R1507-N1511 WeakPolarHBondContact O-CB 3.16Å; R1507-N1511 PolarHBondContact O-N 3.46Å |
| 1508 | C | 62.5 | Low | 61.5 | Low | 75 Ų | 75 | 123.5 Ų | 123.5 | 51% | 0.507 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.3 | -32.8 | 175.1 | -74.4 | 0 | 0 | 0 | 0 | 112.8 | L1504 I1505 R1512 | L1504-C1508 WeakPolarHBondContact O-CB 3.4Å; L1504-C1508 PolarHBondContact O-N 2.88Å; L1504-C1508 PolarHBondContact O-SG 3.44Å; I1505-C1508 CarbonylContact O-C 3.5Å; I1505-C1508 PolarHBondContact O-N 3.06Å; I1505-C1508 VanDerWaalsContact O-N 3.15Å; C1508-R1512 PolarHBondContact O-N 3.46Å |
| 1509 | T | 64.6 | Low | 58.5 | Low | 66 Ų | 66 | 123.2 Ų | 123.2 | 41% | 0.405 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -78.6 | -35.9 | 173.3 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | I1505 Y1506 R1512 H1513 | I1505-T1509 HydrophobicContact CG2-CG2 4.43Å; I1505-T1509 WeakPolarHBondContact O-CG2 3.48Å; I1505-T1509 PolarHBondContact O-N 3.32Å; I1505-T1509 PolarHBondContact O-OG1 3.29Å; Y1506-T1509 WeakPolarHBondContact CA-OG1 3.24Å; Y1506-T1509 PolarHBondContact O-N 3.28Å; Y1506-T1509 PolarHBondContact O-OG1 2.58Å; Y1506-T1509 VanDerWaalsContact O-OG1 3.1Å; T1509-R1512 PolarHBondContact O-N 3.13Å; T1509-H1513 PolarHBondContact O-CD2 3.08Å; T1509-H1513 PolarHBondContact O-N 3.33Å |
| 1510 | Q | 60.8 | Low | 55.9 | Low | 93 Ų | 93 | 128.5 Ų | 128.5 | 44% | 0.435 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -59.3 | -49.6 | 166.9 | -80.5 | -166.1 | -33.6 | 0 | 0 | 111.3 | Y1506 R1512 H1513 F1514 | Y1506-Q1510 HydrophobicContact CD1-CG 4.41Å; Y1506-Q1510 VanDerWaalsContact CE1-CD 3.45Å; Y1506-Q1510 HydrophobicContact CE1-CG 4.05Å; Y1506-Q1510 WeakPolarHBondContact O-CB 3.46Å; Y1506-Q1510 WeakPolarHBondContact O-CG 3.01Å; Y1506-Q1510 PolarHBondContact O-N 2.84Å; Y1506-Q1510 PolarHBondContact OH-NE2 3.07Å; Y1506-Q1510 VanDerWaalsContact OH-NE2 3.16Å; Q1510-R1512 PolarHBondContact O-N 3.31Å; Q1510-H1513 PolarHBondContact O-N 3.3Å; Q1510-H1513 VanDerWaalsContact O-N 3.16Å; Q1510-F1514 WeakPolarHBondContact O-CB 3.39Å; Q1510-F1514 PolarHBondContact O-N 2.91Å |
| 1511 | N | 48 | Very low | 53.5 | Low | 128 Ų | 128 | 133.9 Ų | 133.9 | 68% | 0.684 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.4 | -15.3 | 176.5 | -87.9 | -3.1 | 0 | 0 | 0 | 114.2 | R1507 | R1507-N1511 WeakPolarHBondContact O-CB 3.16Å; R1507-N1511 PolarHBondContact O-N 3.46Å |
| 1512 | R | 42.7 | Very low | 50.9 | Low | 206 Ų | 206 | 132.7 Ų | 132.7 | 78% | 0.777 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -80.8 | -47.3 | 166.7 | -105.1 | 178.7 | 162.3 | 153.1 | -3.8 | 111.5 | C1508 T1509 Q1510 F1514 K1515 | C1508-R1512 PolarHBondContact O-N 3.46Å; T1509-R1512 PolarHBondContact O-N 3.13Å; Q1510-R1512 PolarHBondContact O-N 3.31Å; R1512-F1514 VanDerWaalsContact C-N 3.31Å; R1512-F1514 PolarHBondContact O-N 3.43Å; R1512-K1515 PolarHBondContact O-N 3.17Å |
| 1513 | H | 38.1 | Very low | 48.1 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 60% | 0.597 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.9 | -29.7 | 177 | -85.6 | -70.8 | 0 | 0 | 0 | 113.7 | T1509 Q1510 K1515 E1516 | T1509-H1513 PolarHBondContact O-CD2 3.08Å; T1509-H1513 PolarHBondContact O-N 3.33Å; Q1510-H1513 PolarHBondContact O-N 3.3Å; Q1510-H1513 VanDerWaalsContact O-N 3.16Å; H1513-K1515 PolarHBondContact O-N 3.16Å; H1513-K1515 VanDerWaalsContact O-N 3.09Å; H1513-E1516 PolarHBondContact O-N 3.08Å |
| 1514 | F | 39.6 | Very low | 45.4 | Very low | 172 Ų | 172 | 145 Ų | 145 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 7.7 | 175.7 | -124.6 | -87.1 | 0 | 0 | 0 | 114.5 | Q1510 R1512 | Q1510-F1514 WeakPolarHBondContact O-CB 3.39Å; Q1510-F1514 PolarHBondContact O-N 2.91Å; R1512-F1514 VanDerWaalsContact C-N 3.31Å; R1512-F1514 PolarHBondContact O-N 3.43Å |
| 1515 | K | 30.3 | Very low | 43.1 | Very low | 191 Ų | 191 | 147.8 Ų | 147.8 | 83% | 0.83 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 0.7 | 172.6 | -96.9 | -171.8 | 172.5 | -174 | 0 | 115.4 | R1512 H1513 | R1512-K1515 PolarHBondContact O-N 3.17Å; H1513-K1515 PolarHBondContact O-N 3.16Å; H1513-K1515 VanDerWaalsContact O-N 3.09Å |
| 1516 | E | 29.3 | Very low | 40.7 | Very low | 154 Ų | 154 | 150.9 Ų | 150.9 | 72% | 0.72 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -122.9 | 8.1 | 177.8 | -67.1 | -177.3 | 144.9 | 0 | 0 | 113.5 | H1513 | H1513-E1516 PolarHBondContact O-N 3.08Š|
| 1517 | Y | 28.3 | Very low | 37.9 | Very low | 199 Ų | 199 | 150 Ų | 150 | 78% | 0.78 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -129.1 | 68.4 | 176.1 | -103.2 | -90.1 | 0 | 0 | 0 | 112 | ||
| 1518 | N | 27.8 | Very low | 36 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 85% | 0.845 | 73% | 0.725 | S | S | * | * | trans | -166.3 | 61.7 | 156.7 | -105.3 | -24.1 | 0 | 0 | 0 | 111.8 | ||||
| 1519 | T | 26.5 | Very low | 34.4 | Very low | 117 Ų | 117 | 150.2 Ų | 150.2 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | trans | -140.2 | 121 | 175.5 | 48.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1520 | H | 29.2 | Very low | 32.8 | Very low | 185 Ų | 185 | 153.1 Ų | 153.1 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | trans | 64.6 | 78.7 | 161.5 | -61.9 | -68.3 | 0 | 0 | 0 | 121 | ||||
| 1521 | I | 30.5 | Very low | 31.3 | Very low | 166 Ų | 166 | 155.8 Ų | 155.8 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -145.8 | 130.5 | 138.9 | -60.3 | -173.8 | 0 | 0 | 0 | 105.8 | ||||
| 1522 | S | 28.1 | Very low | 30.4 | Very low | 107 Ų | 107 | 157.8 Ų | 157.8 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | cis | -155.2 | 178.5 | -12.5 | 52.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1523 | Y | 28.3 | Very low | 30.1 | Very low | 206 Ų | 206 | 152.2 Ų | 152.2 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | -73.4 | 158.3 | 178.3 | -89.7 | -121.8 | 0 | 0 | 0 | 114.1 | ||||
| 1524 | Y | 28.5 | Very low | 29.8 | Very low | 207 Ų | 207 | 152.8 Ų | 152.8 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | 16.2 | 152.7 | 142.7 | -69.5 | -99.5 | 0 | 0 | 0 | 120.3 | ||||
| 1525 | E | 29.1 | Very low | 29.4 | Very low | 160 Ų | 160 | 151.3 Ų | 151.3 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | cis | -130.9 | -171.2 | 32.4 | -54.8 | -175 | 152.3 | 0 | 0 | 112 | ||||
| 1526 | Q | 29.6 | Very low | 29.3 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | cis | -154.3 | 177.4 | 16.4 | -150.1 | 168.1 | 69.1 | 0 | 0 | 111.6 | ||||
| 1527 | S | 25.1 | Very low | 29.2 | Very low | 108 Ų | 108 | 149 Ų | 149 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -135.9 | 158.8 | -153.2 | 58.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1528 | T | 29.6 | Very low | 29.2 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | trans | -136.2 | 117.1 | 161.3 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1529 | S | 28.9 | Very low | 29.2 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | 33.5 | 130 | 140.5 | 59.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1530 | T | 29.9 | Very low | 29.3 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | cis | -161.1 | -174.1 | 8.3 | 5.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1531 | N | 30.7 | Very low | 29 | Very low | 148 Ų | 148 | 143.7 Ų | 143.7 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | cis | -150.2 | -159.8 | 20.3 | -146.6 | 18.1 | 0 | 0 | 0 | 113 | ||||
| 1532 | E | 28 | Very low | 28.9 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | trans | -141.4 | -176.2 | -162.6 | -110.9 | -172.2 | -172.4 | 0 | 0 | 111.9 | ||||
| 1533 | P | 37.3 | Very low | 28.8 | Very low | 89 Ų | 89 | 145.1 Ų | 145.1 | 58% | 0.578 | 76% | 0.762 | S | S | * | * | cis | -139.5 | -178.6 | 2.3 | 28.1 | -3.2 | 0 | 0 | 0 | 118.2 | ||||
| 1534 | N | 32.4 | Very low | 28.9 | Very low | 141 Ų | 141 | 143 Ų | 143 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | 77 | 142.8 | 156 | -61.3 | -36 | 0 | 0 | 0 | 119 | ||||
| 1535 | L | 31.1 | Very low | 28.8 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | cis | -153 | 117.8 | 5.4 | -159 | 62.9 | 0 | 0 | 0 | 108.2 | ||||
| 1536 | L | 28 | Very low | 28.7 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | 76.9 | 136 | 75.3 | -159.3 | 165.8 | 0 | 0 | 0 | 113.9 | |||||
| 1537 | Q | 27 | Very low | 28.5 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | cis | -177.4 | 178.6 | -21.1 | -159.6 | 170.7 | 4.9 | 0 | 0 | 111 | ||||
| 1538 | S | 28.6 | Very low | 28.5 | Very low | 95 Ų | 95 | 140 Ų | 140 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | trans | 65.7 | 137 | 159.9 | 48.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1539 | I | 27.3 | Very low | 28.5 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 80% | 0.795 | 75% | 0.752 | S | S | * | * | cis | 79.5 | 112 | 18 | -47 | 168.3 | 0 | 0 | 0 | 115.5 | ||||
| 1540 | E | 27.3 | Very low | 28.5 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | -179.1 | 138.5 | 118.4 | -93.4 | -145.2 | 145.8 | 0 | 0 | 116 | |||||
| 1541 | N | 24.7 | Very low | 28.1 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | trans | 32.1 | 127.4 | 138.8 | -53.1 | -30.7 | 0 | 0 | 0 | 124 | ||||
| 1542 | A | 28 | Very low | 27.7 | Very low | 105 Ų | 105 | 149.4 Ų | 149.4 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | -168.8 | 154.9 | 124 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1543 | K | 26.7 | Very low | 27.8 | Very low | 198 Ų | 198 | 147 Ų | 147 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | trans | -104.4 | 142.6 | 163.7 | -67.8 | 173.7 | 177.6 | 172.4 | 0 | 109.1 | ||||
| 1544 | I | 29.7 | Very low | 27.3 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | trans | -172 | 144.8 | 145.6 | -104.3 | 153.8 | 0 | 0 | 0 | 113.1 | ||||
| 1545 | N | 27 | Very low | 27.2 | Very low | 137 Ų | 137 | 148.6 Ų | 148.6 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | 8.4 | 122.1 | 160.6 | -57.9 | -20.8 | 0 | 0 | 0 | 123.4 | ||||
| 1546 | K | 25.9 | Very low | 27.1 | Very low | 183 Ų | 183 | 147.8 Ų | 147.8 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | 49.3 | 126.6 | 114.3 | -88.1 | -165.7 | 165.1 | -167.7 | 0 | 123 | |||||
| 1547 | L | 24.9 | Very low | 27.3 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 67% | 0.665 | 74% | 0.74 | S | S | * | * | 93.6 | 146.2 | 129 | -108.5 | 70.3 | 0 | 0 | 0 | 122.5 | |||||
| 1548 | D | 26.7 | Very low | 27.6 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | 64.6 | 133.4 | 161.1 | -51.2 | -24.4 | 0 | 0 | 0 | 116.5 | ||||
| 1549 | K | 28.1 | Very low | 27.7 | Very low | 176 Ų | 176 | 148 Ų | 148 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | cis | -151.1 | 165.6 | 24.6 | -73.2 | -177.2 | 158.9 | -169.2 | 0 | 110.3 | ||||
| 1550 | Q | 28.6 | Very low | 27.8 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | cis | -155.9 | 177.8 | -11.8 | -118.3 | 175.6 | -69.6 | 0 | 0 | 110.9 | ||||
| 1551 | E | 22.3 | Very low | 27.8 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | trans | -80.3 | -179.4 | 179.1 | -74.3 | 168.4 | 120.1 | 0 | 0 | 115 | ||||
| 1552 | Y | 23.3 | Very low | 27.9 | Very low | 209 Ų | 209 | 146.4 Ų | 146.4 | 82% | 0.82 | 72% | 0.724 | S | S | * | * | trans | 17.6 | 127.6 | 150.3 | -74.5 | -116.8 | 0 | 0 | 0 | 117.1 | ||||
| 1553 | D | 28.3 | Very low | 27.8 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 65% | 0.652 | 72% | 0.715 | S | S | * | * | -168.9 | 154.6 | 69.6 | -135.5 | -24.8 | 0 | 0 | 0 | 115.2 | |||||
| 1554 | Q | 28.1 | Very low | 27.7 | Very low | 141 Ų | 141 | 147.6 Ų | 147.6 | 66% | 0.659 | 71% | 0.708 | S | S | * | * | trans | 41.6 | 117.5 | 144.3 | -87.1 | 172.2 | 80.2 | 0 | 0 | 125.7 | ||||
| 1555 | N | 28.9 | Very low | 27.6 | Very low | 122 Ų | 122 | 147 Ų | 147 | 65% | 0.652 | 70% | 0.702 | S | S | * | * | 122 | 131.9 | 115.2 | -74.8 | -23.2 | 0 | 0 | 0 | 121 | |||||
| 1556 | N | 30.7 | Very low | 27.5 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | trans | 65.6 | 133.2 | 158.1 | -59 | -16.3 | 0 | 0 | 0 | 117.5 | ||||
| 1557 | H | 32.3 | Very low | 27.6 | Very low | 148 Ų | 148 | 146 Ų | 146 | 69% | 0.685 | 70% | 0.704 | S | S | * | * | cis | -165.1 | 156.9 | 5.7 | -98.7 | -20.9 | 0 | 0 | 0 | 108.3 | ||||
| 1558 | F | 31.8 | Very low | 27.6 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 73% | 0.732 | 71% | 0.705 | S | S | * | * | cis | -166.1 | 145.6 | -13.8 | -155.8 | -132.9 | 0 | 0 | 0 | 110.9 | ||||
| 1559 | S | 31 | Very low | 27.6 | Very low | 82 Ų | 82 | 146.6 Ų | 146.6 | 57% | 0.573 | 71% | 0.714 | S | S | * | * | trans | 53.5 | 148.6 | 145.2 | 68.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1560 | Q | 29.9 | Very low | 27.5 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 76% | 0.757 | 72% | 0.715 | S | S | * | * | cis | -170.7 | 138.9 | -18.3 | -108.6 | 169.2 | -11.5 | 0 | 0 | 107.1 | ||||
| 1561 | N | 27.4 | Very low | 27.4 | Very low | 121 Ų | 121 | 145 Ų | 145 | 65% | 0.647 | 72% | 0.721 | S | S | * | * | 64.9 | 146.2 | 84.8 | -74.9 | 4.4 | 0 | 0 | 0 | 116.6 | |||||
| 1562 | Q | 26.3 | Very low | 27.6 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 62% | 0.621 | 72% | 0.717 | S | S | * | * | cis | -173.9 | 172.2 | -16.6 | -120.4 | 170.9 | -6.5 | 0 | 0 | 112.1 | ||||
| 1563 | Y | 26.5 | Very low | 27.8 | Very low | 176 Ų | 176 | 136 Ų | 136 | 69% | 0.69 | 71% | 0.713 | S | S | * | * | trans | 58.7 | 113.5 | 149.9 | -74.1 | -59.6 | 0 | 0 | 0 | 125.3 | ||||
| 1564 | Q | 24.6 | Very low | 27.9 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | 51.9 | 139.3 | 116.6 | -85.7 | -174.5 | -28.6 | 0 | 0 | 126.2 | |||||
| 1565 | Q | 26.8 | Very low | 27.8 | Very low | 149 Ų | 149 | 138 Ų | 138 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | trans | 90.3 | 106.2 | 138.5 | -81 | -171.5 | 35.9 | 0 | 0 | 123.4 | ||||
| 1566 | N | 24.4 | Very low | 27.9 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | 82 | 145.4 | 119.2 | -76.6 | -3.3 | 0 | 0 | 0 | 124.5 | |||||
| 1567 | I | 28.9 | Very low | 27.6 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 87% | 0.867 | 73% | 0.728 | S | S | * | * | trans | 83.6 | 150.5 | 160.9 | -67.2 | 155.2 | 0 | 0 | 0 | 116.8 | ||||
| 1568 | S | 25.6 | Very low | 27.4 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | trans | -132.3 | 153.3 | -158.1 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1569 | L | 25.8 | Very low | 27.1 | Very low | 172 Ų | 172 | 137.9 Ų | 137.9 | 90% | 0.901 | 73% | 0.731 | S | S | * | * | trans | 164.7 | 152 | 130.2 | -90.4 | 155.4 | 0 | 0 | 0 | 110.5 | ||||
| 1570 | C | 25.9 | Very low | 26.8 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 78% | 0.777 | 74% | 0.738 | S | S | * | * | trans | -109.4 | 141.6 | -178.2 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1571 | H | 27 | Very low | 26.5 | Very low | 188 Ų | 188 | 136.1 Ų | 136.1 | 87% | 0.87 | 73% | 0.732 | S | S | * | * | trans | -143.9 | 173 | 156.4 | -112.9 | -44.1 | 0 | 0 | 0 | 111.7 | ||||
| 1572 | T | 26.8 | Very low | 26.4 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | trans | -153.1 | 123 | -134.9 | 45.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1573 | G | 27.3 | Very low | 26.3 | Very low | 70 Ų | 70 | 134.1 Ų | 134.1 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | trans | 151 | 154 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1574 | Y | 28.9 | Very low | 26.2 | Very low | 209 Ų | 209 | 132.2 Ų | 132.2 | 82% | 0.82 | 74% | 0.737 | S | S | * | * | cis | -163 | 128.5 | -9.2 | -130 | -80.9 | 0 | 0 | 0 | 110.6 | ||||
| 1575 | S | 27.5 | Very low | 26.3 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | trans | 60.1 | 156.8 | 152.4 | 66.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1576 | N | 29.6 | Very low | 26.3 | Very low | 143 Ų | 143 | 133 Ų | 133 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | cis | -153 | 167.3 | 27.2 | -138.1 | -19.4 | 0 | 0 | 0 | 114.1 | ||||
| 1577 | N | 25.4 | Very low | 26.5 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | trans | -78.3 | 155.8 | 175.9 | -57.5 | -53.8 | 0 | 0 | 0 | 112.2 | ||||
| 1578 | L | 28.1 | Very low | 26.5 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | -179.6 | 155.2 | 128.1 | -87.5 | 140.1 | 0 | 0 | 0 | 107.6 | |||||
| 1579 | I | 26.2 | Very low | 26.6 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | cis | 171.7 | 135.7 | -35.9 | -107.9 | 167.9 | 0 | 0 | 0 | 104.8 | ||||
| 1580 | T | 24.1 | Very low | 26.6 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | trans | 58.2 | 120.3 | 161.6 | 56.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1581 | S | 23.7 | Very low | 26.6 | Very low | 91 Ų | 91 | 131.7 Ų | 131.7 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | 81.4 | 124.9 | 116.4 | 75.3 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1582 | T | 23.9 | Very low | 26.6 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 78% | 0.779 | 71% | 0.709 | S | S | * | * | trans | 56.8 | 142.4 | 130 | 59 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1583 | S | 24.6 | Very low | 26.5 | Very low | 84 Ų | 84 | 130.8 Ų | 130.8 | 59% | 0.587 | 71% | 0.706 | S | S | * | * | cis | 176.5 | -171.1 | -11.9 | 52.8 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1584 | I | 25.5 | Very low | 26.4 | Very low | 136 Ų | 136 | 131.6 Ų | 131.6 | 70% | 0.697 | 69% | 0.694 | S | S | * | * | trans | 69.4 | 135.5 | 157.5 | -70.2 | 164.8 | 0 | 0 | 0 | 113.6 | ||||
| 1585 | F | 25.3 | Very low | 26.5 | Very low | 179 Ų | 179 | 130.9 Ų | 130.9 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | cis | -154.9 | -171.8 | -5.9 | -113.4 | -174.1 | 0 | 0 | 0 | 104.5 | ||||
| 1586 | L | 28.6 | Very low | 26.5 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | cis | -161.1 | 133.1 | 20.4 | -144.3 | 150.3 | 0 | 0 | 0 | 109.4 | ||||
| 1587 | G | 27.8 | Very low | 26.5 | Very low | 63 Ų | 63 | 131.4 Ų | 131.4 | 65% | 0.649 | 69% | 0.689 | S | S | * | * | trans | 63.8 | 168 | 146.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1588 | N | 28.1 | Very low | 26.9 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 66% | 0.663 | 69% | 0.694 | S | S | * | * | cis | -153.5 | 153.6 | -14.3 | -121.4 | 48.6 | 0 | 0 | 0 | 109.5 | ||||
| 1589 | D | 27.9 | Very low | 26.7 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 63% | 0.626 | 69% | 0.692 | S | S | * | * | trans | 56.6 | 148.3 | 147.3 | -66.3 | -35 | 0 | 0 | 0 | 122.9 | ||||
| 1590 | Q | 27.3 | Very low | 27 | Very low | 159 Ų | 159 | 130 Ų | 130 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | trans | 65.6 | 109.4 | 144.2 | -73.5 | 166.3 | 34.5 | 0 | 0 | 118.2 | ||||
| 1591 | Y | 24.7 | Very low | 27.2 | Very low | 195 Ų | 195 | 130.2 Ų | 130.2 | 77% | 0.765 | 70% | 0.695 | S | S | * | * | 87.3 | 146.6 | 70.7 | -111.4 | -70.5 | 0 | 0 | 0 | 112.7 | |||||
| 1592 | M | 27.1 | Very low | 27.5 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 67% | 0.665 | 70% | 0.702 | S | S | * | * | trans | 68.1 | 145.9 | 162.7 | -60.4 | -38.7 | -177.6 | 0 | 0 | 116.5 | ||||
| 1593 | K | 24.3 | Very low | 27.5 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 64% | 0.639 | 70% | 0.703 | S | S | * | * | cis | -168.5 | 168.5 | -26.2 | -125.5 | -178.4 | 176.2 | -98.8 | 0 | 108.8 | ||||
| 1594 | D | 26.7 | Very low | 27.6 | Very low | 87 Ų | 87 | 138.9 Ų | 138.9 | 47% | 0.465 | 72% | 0.716 | S | S | . | * | trans | 33.3 | 138.1 | 135.5 | -56.4 | -3.4 | 0 | 0 | 0 | 119.8 | I1596 | D1594-I1596 HydrophobicContact CB-CD1 3.72Å; D1594-I1596 HydrophobicContact CB-CG1 3.92Å; D1594-I1596 VanDerWaalsContact OD2-CD1 3.27Å; D1594-I1596 WeakPolarHBondContact OD2-CD1 3.28Å | ||
| 1595 | K | 29.5 | Very low | 27.6 | Very low | 194 Ų | 194 | 138.3 Ų | 138.3 | 84% | 0.843 | 71% | 0.713 | S | S | * | * | -134.7 | 140 | 67.9 | -72.2 | -158.2 | 174.6 | -177.3 | 0 | 114.3 | |||||
| 1596 | I | 28.7 | Very low | 27.5 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 54% | 0.538 | 71% | 0.71 | S | S | . | * | 68.7 | 129.2 | 53.8 | -67.2 | 178.2 | 0 | 0 | 0 | 109 | D1594 | D1594-I1596 HydrophobicContact CB-CD1 3.72Å; D1594-I1596 HydrophobicContact CB-CG1 3.92Å; D1594-I1596 VanDerWaalsContact OD2-CD1 3.27Å; D1594-I1596 WeakPolarHBondContact OD2-CD1 3.28Å | |||
| 1597 | D | 29.7 | Very low | 27.4 | Very low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 71% | 0.709 | S | S | * | * | cis | -130.9 | 176.8 | 33.2 | -100.6 | -60.9 | 0 | 0 | 0 | 112.8 | ||||
| 1598 | T | 32.7 | Very low | 27.5 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 80% | 0.798 | 72% | 0.717 | S | S | * | * | cis | -132.8 | 153 | 14.7 | 46.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 1599 | L | 23.9 | Very low | 27.5 | Very low | 152 Ų | 152 | 141 Ų | 141 | 80% | 0.796 | 72% | 0.72 | S | S | * | * | trans | -104 | -174.5 | 162.5 | -143 | 87.5 | 0 | 0 | 0 | 109.7 | ||||
| 1600 | P | 33.2 | Very low | 27.4 | Very low | 103 Ų | 103 | 143 Ų | 143 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | -163.4 | 157.4 | 78.9 | 43.7 | -21.8 | 0 | 0 | 0 | 120.6 | |||||
| 1601 | T | 28.7 | Very low | 27.6 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | 62.2 | 152.4 | 141.9 | 50.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1602 | S | 29.3 | Very low | 27.9 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | cis | -153.7 | 168.4 | 1.2 | 36.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1603 | L | 23 | Very low | 28.1 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 80% | 0.801 | 73% | 0.729 | S | S | * | * | trans | -107.4 | 153.8 | 167.6 | -65 | 85.7 | 0 | 0 | 0 | 111.3 | ||||
| 1604 | Y | 26.9 | Very low | 28.3 | Very low | 221 Ų | 221 | 136.6 Ų | 136.6 | 87% | 0.867 | 73% | 0.73 | S | S | * | * | trans | -176.7 | 123.9 | 141.9 | -103.6 | -85.8 | 0 | 0 | 0 | 104.6 | ||||
| 1605 | I | 25.4 | Very low | 28.6 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 63% | 0.631 | 74% | 0.741 | S | S | * | * | cis | 92.8 | 126.5 | 49.3 | -71.6 | 172.8 | 0 | 0 | 0 | 113.1 | ||||
| 1606 | D | 25 | Very low | 28.4 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | 75.8 | 122.2 | 163.1 | -67.7 | -5.7 | 0 | 0 | 0 | 124.8 | ||||
| 1607 | N | 25.8 | Very low | 28.3 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | 82.7 | 136.1 | 134.6 | -69.4 | -21.6 | 0 | 0 | 0 | 124.6 | ||||
| 1608 | E | 28.8 | Very low | 28.2 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | trans | 65.8 | 145.9 | 157.4 | -64.9 | 177.7 | -162.7 | 0 | 0 | 118.1 | ||||
| 1609 | T | 29.2 | Very low | 27.9 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | cis | -153.6 | 179.2 | -6.1 | 10.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1610 | L | 26.6 | Very low | 28 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | -5.2 | 150.7 | 155.4 | -96.5 | 63.8 | 0 | 0 | 0 | 119.8 | ||||
| 1611 | S | 31.1 | Very low | 27.8 | Very low | 88 Ų | 88 | 140.4 Ų | 140.4 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | cis | -167.4 | 160.5 | 13.8 | 52.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1612 | N | 30.5 | Very low | 27.7 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | 55.8 | 134.2 | 141.9 | -65.3 | 2.9 | 0 | 0 | 0 | 121.2 | ||||
| 1613 | L | 31.4 | Very low | 27.5 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | cis | -140.6 | 147.9 | -4.9 | -75.5 | 118.1 | 0 | 0 | 0 | 107.5 | ||||
| 1614 | N | 29.4 | Very low | 27.7 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 67% | 0.674 | 74% | 0.739 | S | S | * | * | 65 | 130.3 | 57.5 | -83 | 37.5 | 0 | 0 | 0 | 114 | |||||
| 1615 | E | 30.9 | Very low | 27.9 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 70% | 0.696 | 73% | 0.732 | S | S | * | * | cis | -139.1 | 158.3 | 1.1 | -90.8 | 136.8 | -131.8 | 0 | 0 | 108.8 | ||||
| 1616 | T | 27 | Very low | 27.9 | Very low | 96 Ų | 96 | 145 Ų | 145 | 59% | 0.589 | 74% | 0.736 | S | S | * | * | cis | 76.1 | 148.8 | 31.6 | 66.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1617 | Y | 26.6 | Very low | 28 | Very low | 198 Ų | 198 | 145.2 Ų | 145.2 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | cis | -148 | 159.8 | 25.7 | -100.9 | -66.6 | 0 | 0 | 0 | 115.8 | ||||
| 1618 | T | 27.5 | Very low | 28 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | trans | -98.5 | 169.7 | 147 | 57.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1619 | T | 26.2 | Very low | 27.9 | Very low | 138 Ų | 138 | 143 Ų | 143 | 85% | 0.847 | 73% | 0.73 | S | S | * | * | trans | -177.5 | 165.4 | 138.9 | 18.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 1620 | Q | 24.5 | Very low | 27.8 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | trans | -145.8 | 150.2 | 171.8 | -152.8 | -165.8 | 5.7 | 0 | 0 | 109.6 | ||||
| 1621 | N | 30.3 | Very low | 27.7 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | trans | 67.7 | 127.9 | 159.9 | -59.9 | -31.5 | 0 | 0 | 0 | 121.5 | ||||
| 1622 | R | 26.4 | Very low | 27.4 | Very low | 232 Ų | 232 | 149.8 Ų | 149.8 | 88% | 0.875 | 74% | 0.742 | S | S | * | * | 157.2 | 143.9 | 125.5 | -84.6 | -173 | 164.9 | -175.9 | -3 | 108.8 | |||||
| 1623 | L | 25.9 | Very low | 27.2 | Very low | 135 Ų | 135 | 149.1 Ų | 149.1 | 71% | 0.707 | 74% | 0.738 | S | S | * | * | cis | -161.7 | 172.2 | -3 | -125.4 | 169.4 | 0 | 0 | 0 | 110.9 | ||||
| 1624 | Q | 26 | Very low | 26.9 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | trans | 100.7 | 137.3 | 142.6 | -121.4 | 169.6 | -29 | 0 | 0 | 122.7 | ||||
| 1625 | H | 30.6 | Very low | 26.8 | Very low | 152 Ų | 152 | 149.8 Ų | 149.8 | 70% | 0.704 | 73% | 0.731 | S | S | * | * | trans | 80.2 | 135.7 | 168.8 | -76.4 | -59.9 | 0 | 0 | 0 | 122.9 | ||||
| 1626 | E | 25.7 | Very low | 26.5 | Very low | 154 Ų | 154 | 150.1 Ų | 150.1 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | trans | -98.7 | 167.4 | -172.9 | -46.5 | 114.9 | 124 | 0 | 0 | 110.7 | ||||
| 1627 | L | 28.3 | Very low | 26.5 | Very low | 142 Ų | 142 | 152.2 Ų | 152.2 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | -174.7 | 145.2 | 69.6 | -151.5 | 92 | 0 | 0 | 0 | 112 | |||||
| 1628 | N | 25 | Very low | 26.4 | Very low | 126 Ų | 126 | 148 Ų | 148 | 67% | 0.674 | 73% | 0.728 | S | S | * | * | trans | 32.3 | 130.7 | 149.6 | -65.3 | -7.8 | 0 | 0 | 0 | 124 | ||||
| 1629 | N | 26.1 | Very low | 26.3 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | 98.1 | 135.3 | 126.4 | -80.2 | 0.6 | 0 | 0 | 0 | 123.7 | |||||
| 1630 | Q | 27.5 | Very low | 26.4 | Very low | 180 Ų | 180 | 153.2 Ų | 153.2 | 84% | 0.841 | 72% | 0.72 | S | S | * | * | trans | 82 | 135.4 | 146.6 | -76.3 | 171.9 | -56 | 0 | 0 | 121.2 | ||||
| 1631 | Q | 24.3 | Very low | 26.6 | Very low | 178 Ų | 178 | 152.3 Ų | 152.3 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | trans | -76 | 162.6 | 166.8 | -57.4 | 153.1 | -93.2 | 0 | 0 | 109.8 | ||||
| 1632 | M | 25 | Very low | 26.4 | Very low | 151 Ų | 151 | 153 Ų | 153 | 74% | 0.744 | 73% | 0.729 | S | S | * | * | 174.9 | 140.1 | 116.9 | -86.4 | -66.4 | -84.2 | 0 | 0 | 111.3 | |||||
| 1633 | D | 26.3 | Very low | 26.5 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | trans | 48 | 104.1 | 145.4 | -60.2 | 6.4 | 0 | 0 | 0 | 124.2 | ||||
| 1634 | D | 24.8 | Very low | 26.5 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 62% | 0.62 | 72% | 0.72 | S | S | * | * | 68.9 | 153.4 | 102.5 | -141.4 | -0 | 0 | 0 | 0 | 123.2 | |||||
| 1635 | Y | 27.2 | Very low | 26.5 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 67% | 0.667 | 72% | 0.724 | S | S | * | * | trans | 70.9 | 142.9 | 161.7 | -63.6 | -31.3 | 0 | 0 | 0 | 121.5 | ||||
| 1636 | K | 25.4 | Very low | 26.3 | Very low | 155 Ų | 155 | 151.2 Ų | 151.2 | 67% | 0.674 | 74% | 0.739 | S | S | * | * | cis | -169.6 | 165.5 | -20.8 | -132.8 | 170.9 | -168.2 | 154.6 | 0 | 111.8 | ||||
| 1637 | L | 26.4 | Very low | 26.4 | Very low | 140 Ų | 140 | 149 Ų | 149 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | trans | 66.6 | 117.2 | 158 | -96.9 | 63.3 | 0 | 0 | 0 | 120.7 | ||||
| 1638 | D | 24.5 | Very low | 26.3 | Very low | 110 Ų | 110 | 148.4 Ų | 148.4 | 59% | 0.588 | 74% | 0.743 | S | S | * | * | 32.8 | 142.3 | 103.2 | -71.4 | 32.1 | 0 | 0 | 0 | 119.4 | |||||
| 1639 | R | 25.5 | Very low | 26.4 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | cis | -171.9 | 170.1 | 18.6 | -141.5 | 173.9 | -94.6 | -174.2 | -6.9 | 112.9 | ||||
| 1640 | Y | 28.1 | Very low | 26.4 | Very low | 193 Ų | 193 | 150 Ų | 150 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | trans | 68.1 | 154.3 | 167.9 | -55.4 | -65.4 | 0 | 0 | 0 | 115.4 | ||||
| 1641 | V | 30.2 | Very low | 26.4 | Very low | 143 Ų | 143 | 149 Ų | 149 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | cis | -122.9 | 169.2 | 16.3 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1642 | N | 24.9 | Very low | 26.7 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | trans | -111.8 | -171.5 | -170.8 | -168.4 | 10.6 | 0 | 0 | 0 | 112.3 | ||||
| 1643 | V | 29.3 | Very low | 26.9 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 79% | 0.788 | 73% | 0.73 | S | S | * | * | trans | 95.7 | 152 | 166.4 | -168.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1644 | S | 25.9 | Very low | 27 | Very low | 89 Ų | 89 | 143.8 Ų | 143.8 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | trans | -144.3 | 173.3 | -147.6 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1645 | N | 25.6 | Very low | 27.3 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | 61.1 | 121.6 | 156 | -63.8 | -7.1 | 0 | 0 | 0 | 119.9 | ||||
| 1646 | W | 26.5 | Very low | 27.5 | Very low | 269 Ų | 269 | 144.1 Ų | 144.1 | 100% | 1.019 | 74% | 0.737 | S | S | * | * | trans | -135.5 | 159.6 | 139.3 | -103.5 | 4.1 | 0 | 0 | 0 | 111.1 | ||||
| 1647 | S | 27.9 | Very low | 27.6 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | -113.4 | 155.7 | -153.2 | 54.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1648 | T | 25.4 | Very low | 27.6 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | -37.6 | 152.2 | 163.7 | 40.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1649 | I | 28 | Very low | 27.7 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 77% | 0.774 | 75% | 0.753 | S | S | * | * | trans | -165.7 | 115.8 | 133.9 | -102.2 | 151.9 | 0 | 0 | 0 | 112.3 | ||||
| 1650 | Q | 26.5 | Very low | 27.7 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 67% | 0.673 | 76% | 0.761 | S | S | * | * | trans | 46.9 | 162.8 | 132.7 | -44.1 | -170.7 | -13.4 | 0 | 0 | 121.6 | ||||
| 1651 | K | 27.1 | Very low | 27.8 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | cis | -165.9 | 178.8 | 18.3 | -146.5 | 160.9 | -169.8 | 148.9 | 0 | 113.6 | ||||
| 1652 | N | 29.1 | Very low | 27.6 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 66% | 0.658 | 76% | 0.757 | S | S | * | * | trans | 84.1 | 137.6 | 160.1 | -57.6 | -7.9 | 0 | 0 | 0 | 118.1 | ||||
| 1653 | H | 30.7 | Very low | 27.6 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | cis | -162.2 | 139.2 | -15.6 | -123 | -55.4 | 0 | 0 | 0 | 114.2 | ||||
| 1654 | G | 28.9 | Very low | 27.5 | Very low | 65 Ų | 65 | 142.9 Ų | 142.9 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | trans | 82 | 160.9 | 150.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1655 | H | 30.7 | Very low | 27.5 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | cis | -168.8 | 139.7 | -24.7 | -123.5 | -64 | 0 | 0 | 0 | 111.1 | ||||
| 1656 | N | 30.2 | Very low | 27.5 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | 63.9 | 158.4 | 157.7 | -62.7 | -1.4 | 0 | 0 | 0 | 118.8 | ||||
| 1657 | S | 28.2 | Very low | 27.5 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | cis | -172.2 | 145.6 | -26.4 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1658 | N | 26 | Very low | 27.6 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 90% | 0.904 | 73% | 0.726 | S | S | * | * | trans | 57.5 | 132.9 | 155 | -58.3 | -6.4 | 0 | 0 | 0 | 121 | ||||
| 1659 | G | 27.9 | Very low | 27.8 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | trans | 174.4 | 131 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1660 | N | 25.6 | Very low | 27.7 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | trans | -106.9 | 175.3 | -179 | -83.9 | -23.3 | 0 | 0 | 0 | 112.4 | ||||
| 1661 | F | 28.6 | Very low | 27.8 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 79% | 0.789 | 70% | 0.696 | S | S | * | * | trans | 92.3 | 101.5 | 161.8 | -69 | -83.8 | 0 | 0 | 0 | 120.7 | ||||
| 1662 | L | 26.4 | Very low | 27.9 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | 37.3 | 110.4 | 123.6 | -73.3 | 165.1 | 0 | 0 | 0 | 121.4 | |||||
| 1663 | K | 24.7 | Very low | 27.9 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 76% | 0.757 | 70% | 0.699 | S | S | * | * | trans | 18.9 | 131.2 | 134.2 | -58.7 | 177.9 | 176.3 | 179.7 | 0 | 119.6 | ||||
| 1664 | H | 26.5 | Very low | 27.6 | Very low | 176 Ų | 176 | 130.8 Ų | 130.8 | 82% | 0.815 | 69% | 0.687 | S | S | * | * | -168.4 | 171.3 | 91.1 | -109.2 | -85.4 | 0 | 0 | 0 | 112.9 | |||||
| 1665 | S | 26.8 | Very low | 27.5 | Very low | 89 Ų | 89 | 136 Ų | 136 | 62% | 0.622 | 69% | 0.688 | S | S | * | * | trans | -107.8 | 179.3 | 179.8 | 58.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1666 | N | 26 | Very low | 27.2 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 56% | 0.561 | 69% | 0.688 | S | S | * | * | cis | -179.4 | -165 | 49.8 | -129.1 | -4.2 | 0 | 0 | 0 | 111.8 | ||||
| 1667 | F | 26.8 | Very low | 27.1 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 53% | 0.531 | 69% | 0.686 | S | S | . | * | trans | 87.3 | 148.5 | 166.4 | -62 | -80.6 | 0 | 0 | 0 | 117.7 | T1669 | F1667-T1669 HydrophobicContact CD1-CG2 4.04Š| ||
| 1668 | F | 30.2 | Very low | 27 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 81% | 0.811 | 69% | 0.692 | S | S | * | * | cis | -124.4 | 130.7 | 22.9 | -90.4 | -103 | 0 | 0 | 0 | 113.8 | ||||
| 1669 | T | 28.6 | Very low | 27 | Very low | 63 Ų | 63 | 138.7 Ų | 138.7 | 39% | 0.387 | 69% | 0.685 | S | S | . | * | 61.6 | 146.2 | 101.3 | 73 | 0 | 0 | 0 | 0 | 116.8 | F1667 | F1667-T1669 HydrophobicContact CD1-CG2 4.04Š| |||
| 1670 | Y | 26.7 | Very low | 26.9 | Very low | 215 Ų | 215 | 139.4 Ų | 139.4 | 84% | 0.843 | 68% | 0.678 | S | S | * | * | cis | -113.2 | 141.3 | 21.7 | -88.9 | -118.6 | 0 | 0 | 0 | 112.7 | ||||
| 1671 | H | 27.7 | Very low | 26.9 | Very low | 82 Ų | 82 | 139.5 Ų | 139.5 | 38% | 0.38 | 68% | 0.678 | S | S | . | * | 77.9 | 142.7 | 59.8 | -88.5 | -102 | 0 | 0 | 0 | 114.4 | H1673 | H1671-H1673 AromaticContact CE1-CE1 3.61Å; H1671-H1673 AromaticContact CE1-ND1 3.71Å; H1671-H1673 AromaticContact ND1-CE1 3.61Å; H1671-H1673 AromaticContact ND1-ND1 3.87Å; H1671-H1673 AromaticContact ND1-NE2 3.67Å | |||
| 1672 | P | 29.5 | Very low | 26.8 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 72% | 0.721 | 68% | 0.679 | S | S | * | * | S | Bend | cis | -105.6 | 129.6 | 20.8 | 3.3 | 19.6 | 0 | 0 | 0 | 116.4 | ||
| 1673 | H | 28.9 | Very low | 26.7 | Very low | 149 Ų | 149 | 138 Ų | 138 | 69% | 0.69 | 68% | 0.678 | S | S | * | * | trans | 52.4 | 105.9 | 153.9 | -50.6 | -72.6 | 0 | 0 | 0 | 117.8 | H1671 | H1671-H1673 AromaticContact CE1-CE1 3.61Å; H1671-H1673 AromaticContact CE1-ND1 3.71Å; H1671-H1673 AromaticContact ND1-CE1 3.61Å; H1671-H1673 AromaticContact ND1-ND1 3.87Å; H1671-H1673 AromaticContact ND1-NE2 3.67Å | ||
| 1674 | Q | 25.1 | Very low | 26.9 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 49% | 0.491 | 68% | 0.678 | S | S | . | * | cis | 55.9 | 134.3 | 44.1 | -61.1 | -167 | -3.9 | 0 | 0 | 114.5 | ||||
| 1675 | Y | 25.6 | Very low | 26.9 | Very low | 176 Ų | 176 | 136.3 Ų | 136.3 | 69% | 0.69 | 68% | 0.675 | S | S | * | * | cis | -149.9 | -167.6 | -1.1 | -126.8 | -54.9 | 0 | 0 | 0 | 110.4 | ||||
| 1676 | N | 25.7 | Very low | 26.8 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 72% | 0.717 | 68% | 0.677 | S | S | * | * | trans | -142.9 | 154.6 | -170.3 | -162.4 | 0.4 | 0 | 0 | 0 | 112.2 | ||||
| 1677 | L | 27.3 | Very low | 26.8 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 70% | 0.702 | 69% | 0.688 | S | S | * | * | trans | 77 | 127.7 | 167.1 | -58 | 162.7 | 0 | 0 | 0 | 120.9 | ||||
| 1678 | H | 26.6 | Very low | 26.9 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | trans | 34 | 148.9 | 139.4 | -67 | -48.4 | 0 | 0 | 0 | 122.6 | ||||
| 1679 | K | 25.8 | Very low | 26.8 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | cis | -161.1 | 149.8 | 14.5 | -138.2 | 178.5 | -177.1 | -173.8 | 0 | 113.1 | ||||
| 1680 | S | 25.9 | Very low | 26.9 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | trans | 51.5 | 120.8 | 148.6 | 57.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1681 | N | 24.7 | Very low | 27 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 82% | 0.824 | 69% | 0.687 | S | S | * | * | trans | 63.2 | 124.6 | 143.7 | -52.1 | 21.6 | 0 | 0 | 0 | 117.5 | ||||
| 1682 | I | 27.7 | Very low | 27 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 80% | 0.8 | 70% | 0.704 | S | S | * | * | -146.8 | 169.7 | 65.7 | -88.8 | 165.5 | 0 | 0 | 0 | 111.7 | |||||
| 1683 | D | 24.4 | Very low | 27.4 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | trans | -53.9 | 137.3 | -175.4 | -42.2 | -82.7 | 0 | 0 | 0 | 115.4 | ||||
| 1684 | D | 28 | Very low | 27.5 | Very low | 143 Ų | 143 | 146 Ų | 146 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | -177.8 | 145.1 | 106.2 | -103.4 | -15.6 | 0 | 0 | 0 | 115.7 | |||||
| 1685 | F | 27.3 | Very low | 27.6 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | 33.8 | 98.6 | 151.1 | -78.7 | -92.8 | 0 | 0 | 0 | 124 | ||||
| 1686 | T | 25.5 | Very low | 27.7 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 66% | 0.663 | 76% | 0.756 | S | S | * | * | 72.7 | 132.6 | 119.1 | 58.3 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 1687 | F | 25.4 | Very low | 27.8 | Very low | 182 Ų | 182 | 147.3 Ų | 147.3 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | trans | 87.2 | 100.6 | 132.1 | -92.5 | -122.9 | 0 | 0 | 0 | 122.7 | ||||
| 1688 | V | 28.1 | Very low | 27.9 | Very low | 97 Ų | 97 | 148.1 Ų | 148.1 | 59% | 0.588 | 76% | 0.761 | S | S | * | * | 92.8 | 123.7 | 109.5 | 147.8 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1689 | Q | 29.3 | Very low | 27.9 | Very low | 159 Ų | 159 | 147 Ų | 147 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | 69.3 | 152.5 | 157 | -76.1 | 170.4 | 48.5 | 0 | 0 | 117.8 | ||||
| 1690 | N | 30.2 | Very low | 28.1 | Very low | 126 Ų | 126 | 145 Ų | 145 | 67% | 0.674 | 76% | 0.76 | S | S | * | * | cis | -145.6 | 167 | 4.2 | -131.8 | -26 | 0 | 0 | 0 | 115.8 | ||||
| 1691 | K | 28.7 | Very low | 28.2 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 54% | 0.543 | 77% | 0.769 | S | S | . | * | trans | -40 | 148.9 | 176.1 | -78.6 | 171.5 | 138.4 | -137.3 | 0 | 120.6 | ||||
| 1692 | Q | 27.9 | Very low | 28.5 | Very low | 157 Ų | 157 | 148.5 Ų | 148.5 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 63.6 | 124.6 | 133 | -65.8 | 174.9 | -92.4 | 0 | 0 | 121.4 | ||||
| 1693 | A | 38 | Very low | 28.6 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | -160.7 | 31 | 140.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1694 | M | 30.3 | Very low | 29 | Very low | 269 Ų | 269 | 149 Ų | 149 | 100% | 1.325 | 77% | 0.766 | S | S | * | * | trans | -172.5 | 0 | 143.3 | -107 | 179.4 | -179.8 | 0 | 0 | 111 |
Retrieved 1,694 of 1,694 residues in 2530.4 ms
(Link to these results)