| 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 | 37.2 | Very low | 42 | Very low | 228 Ų | 228 | 155.7 Ų | 155.7 | 100% | 1.123 | 85% | 0.845 | S | S | * | * | 0 | 120.8 | 0 | -82.5 | 161.8 | 74.9 | 0 | 0 | 106.1 | |||||
| 2 | M | 36 | Very low | 42.4 | Very low | 158 Ų | 158 | 155.7 Ų | 155.7 | 78% | 0.778 | 84% | 0.842 | S | S | * | * | cis | -153.8 | 131.7 | 20.9 | -89.6 | 146.4 | 61 | 0 | 0 | 109.5 | ||||
| 3 | W | 36.3 | Very low | 42.7 | Very low | 233 Ų | 233 | 151.8 Ų | 151.8 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | trans | 21.1 | 114.1 | 142.6 | -54.3 | 81.5 | 0 | 0 | 0 | 120.2 | ||||
| 4 | T | 38.8 | Very low | 42.7 | Very low | 137 Ų | 137 | 148.6 Ų | 148.6 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | trans | -78.6 | 117.1 | 153.5 | 35.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 5 | T | 43.2 | Very low | 43 | Very low | 133 Ų | 133 | 147.6 Ų | 147.6 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | trans | -93.9 | 111.1 | 171.5 | 37.2 | 0 | 0 | 0 | 0 | 109.8 | G7 | T5-G7 PolarHBondContact O-N 3.37Š| ||
| 6 | L | 44.6 | Very low | 42.9 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -76.4 | 105.7 | 166.6 | -118.2 | 81.9 | 0 | 0 | 0 | 108.4 | C8 | L6-C8 PolarHBondContact O-N 3.05Š| ||
| 7 | G | 41.3 | Very low | 43 | Very low | 71 Ų | 71 | 145.4 Ų | 145.4 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -80.8 | 104.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | T5 F9 | T5-G7 PolarHBondContact O-N 3.37Å; G7-F9 PolarHBondContact O-N 2.59Å | ||
| 8 | C | 42.4 | Very low | 43.3 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -76.7 | 101.6 | 170.8 | -160.7 | 0 | 0 | 0 | 0 | 108.6 | L6 C10 | L6-C8 PolarHBondContact O-N 3.05Å; C8-C10 PolarHBondContact O-N 3.41Å; C8-C10 VanDerWaalsContact O-N 3.12Å | ||
| 9 | F | 47.2 | Very low | 44 | Very low | 193 Ų | 193 | 143.4 Ų | 143.4 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -74.9 | 95.7 | 171.4 | -112.2 | -93.3 | 0 | 0 | 0 | 108.7 | G7 L11 | G7-F9 PolarHBondContact O-N 2.59Å; F9-L11 PolarHBondContact O-N 2.88Å; F9-L11 VanDerWaalsContact O-N 3.09Å | ||
| 10 | C | 46.8 | Very low | 45 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | trans | -67.5 | 101.3 | 162.4 | -85.3 | 0 | 0 | 0 | 0 | 108.4 | C8 L12 | C8-C10 PolarHBondContact O-N 3.41Å; C8-C10 VanDerWaalsContact O-N 3.12Å; C10-L12 VanDerWaalsContact C-N 3.27Å; C10-L12 PolarHBondContact O-N 3.44Å | ||
| 11 | L | 47.8 | Very low | 46.8 | Very low | 160 Ų | 160 | 137 Ų | 137 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -64.4 | 92.2 | 160.8 | -98.5 | 133.1 | 0 | 0 | 0 | 107.8 | F9 C13 | F9-L11 PolarHBondContact O-N 2.88Å; F9-L11 VanDerWaalsContact O-N 3.09Å; L11-C13 PolarHBondContact O-N 2.96Å | ||
| 12 | L | 47.2 | Very low | 49.4 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | trans | -62.5 | 90.8 | 158.2 | -95.6 | 137.9 | 0 | 0 | 0 | 106.9 | C10 C14 | C10-L12 VanDerWaalsContact C-N 3.27Å; C10-L12 PolarHBondContact O-N 3.44Å; L12-C14 PolarHBondContact O-N 3.36Å | ||
| 13 | C | 45.8 | Very low | 52.2 | Low | 105 Ų | 105 | 125.1 Ų | 125.1 | 71% | 0.709 | 70% | 0.703 | S | S | * | * | trans | -67.4 | 90.2 | 164.7 | -156 | 0 | 0 | 0 | 0 | 105.9 | L11 I15 | L11-C13 PolarHBondContact O-N 2.96Å; C13-I15 PolarHBondContact O-N 3.27Å | ||
| 14 | C | 43.5 | Very low | 54.9 | Low | 107 Ų | 107 | 115.7 Ų | 115.7 | 72% | 0.723 | 67% | 0.668 | S | S | * | * | trans | -61.5 | 92.3 | 161.4 | -78.5 | 0 | 0 | 0 | 0 | 106.2 | L12 C16 | L12-C14 PolarHBondContact O-N 3.36Å; C14-C16 PolarHBondContact O-N 3.12Å | ||
| 15 | I | 46.4 | Very low | 57.7 | Low | 134 Ų | 134 | 109.3 Ų | 109.3 | 69% | 0.687 | 63% | 0.629 | S | S | * | * | trans | -64.9 | 90.4 | 158.7 | -58.4 | 171 | 0 | 0 | 0 | 103.7 | C13 L17 | C13-I15 PolarHBondContact O-N 3.27Å; I15-L17 HydrophobicContact CG2-CD2 4.38Å; I15-L17 HydrophobicContact CG2-CG 4.43Å; I15-L17 PolarHBondContact O-N 2.89Å | ||
| 16 | C | 42.2 | Very low | 60.3 | Low | 104 Ų | 104 | 103 Ų | 103 | 70% | 0.703 | 59% | 0.59 | S | S | * | * | trans | -57.7 | 101.6 | 153.8 | -68.5 | 0 | 0 | 0 | 0 | 104 | C14 T18 | C14-C16 PolarHBondContact O-N 3.12Å; C16-T18 PolarHBondContact O-N 2.99Å | ||
| 17 | L | 44.2 | Very low | 62.9 | Low | 153 Ų | 153 | 94.6 Ų | 94.6 | 80% | 0.801 | 55% | 0.546 | S | S | * | . | trans | -57.8 | 95.3 | 159.7 | -73.1 | 164.5 | 0 | 0 | 0 | 104 | I15 E19 | I15-L17 HydrophobicContact CG2-CD2 4.38Å; I15-L17 HydrophobicContact CG2-CG 4.43Å; I15-L17 PolarHBondContact O-N 2.89Å; L17-E19 PolarHBondContact O-N 2.87Å | ||
| 18 | T | 49.3 | Very low | 65.6 | Low | 122 Ų | 122 | 91.2 Ų | 91.2 | 75% | 0.748 | 51% | 0.512 | S | S | * | . | trans | -62.5 | 100.1 | 162.7 | 47 | 0 | 0 | 0 | 0 | 104.2 | C16 S20 | C16-T18 PolarHBondContact O-N 2.99Å; T18-S20 PolarHBondContact O-N 2.88Å; T18-S20 VanDerWaalsContact O-N 3.08Å | ||
| 19 | E | 55.6 | Low | 68.3 | Low | 132 Ų | 132 | 85.5 Ų | 85.5 | 62% | 0.617 | 47% | 0.473 | S | S | * | . | trans | -48.1 | 119.4 | 168.2 | -67 | -179.8 | 163.6 | 0 | 0 | 106.6 | L17 Q21 D316 | L17-E19 PolarHBondContact O-N 2.87Å; E19-Q21 VanDerWaalsContact C-N 3.33Å; E19-Q21 PolarHBondContact O-N 2.8Å; E19-Q21 PolarHBondContact O-OE1 2.8Å; E19-Q21 PolarHBondContact OE2-NE2 3.29Å; E19-D316 WeakPolarHBondContact CA-OD2 3.27Å; E19-D316 WeakPolarHBondContact CB-OD2 3.49Å | ||
| 20 | S | 63.4 | Low | 70.7 | Confident | 90 Ų | 90 | 76.3 Ų | 76.3 | 63% | 0.629 | 43% | 0.433 | S | S | * | . | trans | -104.2 | 56.5 | -169 | 173.4 | 0 | 0 | 0 | 0 | 108 | T18 Q22 D316 | T18-S20 PolarHBondContact O-N 2.88Å; T18-S20 VanDerWaalsContact O-N 3.08Å; S20-Q22 PolarHBondContact O-N 3.25Å; S20-D316 VanDerWaalsContact C-OD1 3.32Å; S20-D316 PolarHBondContact N-OD1 2.91Å; S20-D316 VanDerWaalsContact N-OD1 3.08Å | ||
| 21 | Q | 83.3 | Confident | 73.2 | Confident | 63 Ų | 63 | 72.2 Ų | 72.2 | 29% | 0.294 | 40% | 0.402 | S | S | . | . | trans | -61.2 | 132.1 | 174.2 | -59.5 | 97.4 | -1.9 | 0 | 0 | 109.7 | E19 E315 | E19-Q21 VanDerWaalsContact C-N 3.33Å; E19-Q21 PolarHBondContact O-N 2.8Å; E19-Q21 PolarHBondContact O-OE1 2.8Å; E19-Q21 PolarHBondContact OE2-NE2 3.29Å; Q21-E315 WeakPolarHBondContact CG-OE2 3.17Å | ||
| 22 | Q | 91.8 | Very high | 75.6 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 49% | 0.491 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 116 | -173.9 | -166.9 | 176.3 | 23.9 | 0 | 0 | 110.8 | S20 K24 Y313 Q314 | S20-Q22 PolarHBondContact O-N 3.25Å; Q22-K24 HydrophobicContact CG-CD 4.26Å; Q22-K24 PolarHBondContact O-N 2.8Å; Q22-K24 VanDerWaalsContact OE1-CE 3.27Å; Q22-Y313 WeakPolarHBondContact O-CA 3.06Å; Q22-Q314 PolarHBondContact N-O 2.92Å; Q22-Q314 PolarHBondContact O-N 3.05Å |
| 23 | L | 94.3 | Very high | 78.1 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 125.1 | 167.7 | -177 | 63.9 | 0 | 0 | 0 | 109.3 | V26 Y77 F80 E311 Y313 | L23-V26 HydrophobicContact CD1-CG2 3.95Å; L23-V26 HydrophobicContact CD2-CG2 3.81Å; L23-V26 HydrophobicContact CG-CG2 4.17Å; L23-Y77 HydrophobicContact CD2-CD1 3.89Å; L23-Y77 HydrophobicContact CD2-CE1 4.1Å; L23-F80 HydrophobicContact CB-CD2 4.24Å; L23-F80 HydrophobicContact CB-CE2 4.41Å; L23-F80 HydrophobicContact CD2-CB 4.09Å; L23-F80 HydrophobicContact CD2-CD1 3.79Å; L23-F80 HydrophobicContact CD2-CD2 4.03Å; L23-F80 HydrophobicContact CD2-CE1 4.19Å; L23-F80 HydrophobicContact CD2-CE2 4.43Å; L23-F80 HydrophobicContact CD2-CG 3.7Å; L23-F80 HydrophobicContact CG-CD1 4.35Å; L23-F80 HydrophobicContact CG-CD2 4.06Å; L23-F80 HydrophobicContact CG-CE1 4.33Å; L23-F80 HydrophobicContact CG-CE2 4.06Å; L23-F80 HydrophobicContact CG-CG 4.22Å; L23-F80 HydrophobicContact CG-CZ 4.2Å; L23-F80 WeakPolarHBondContact O-CE2 3.04Å; L23-E311 HydrophobicContact CD1-CB 3.92Å; L23-E311 HydrophobicContact CD1-CG 4.48Å; L23-Y313 HydrophobicContact CB-CD1 4.13Å; L23-Y313 HydrophobicContact CB-CE1 3.82Å; L23-Y313 HydrophobicContact CD1-CD1 4.23Å; L23-Y313 HydrophobicContact CD1-CE1 3.8Å; L23-Y313 HydrophobicContact CD1-CE2 4.14Å; L23-Y313 HydrophobicContact CG-CE1 4.38Å |
| 24 | K | 94 | Very high | 80.6 | Confident | 35 Ų | 35 | 52.3 Ų | 52.3 | 15% | 0.152 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -35.1 | -177.3 | -64.8 | -60.6 | -173.2 | 164.5 | 0 | 113.1 | Q22 F80 F312 Q314 | Q22-K24 HydrophobicContact CG-CD 4.26Å; Q22-K24 PolarHBondContact O-N 2.8Å; Q22-K24 VanDerWaalsContact OE1-CE 3.27Å; K24-F80 WeakPolarHBondContact O-CZ 3.1Å; K24-F312 HydrophobicContact CB-CD1 3.97Å; K24-F312 HydrophobicContact CB-CE1 4.44Å; K24-F312 PolarHBondContact N-O 3.47Å; K24-Q314 HydrophobicContact CD-CB 4.34Å; K24-Q314 HydrophobicContact CG-CB 3.93Å |
| 25 | F | 96.5 | Very high | 83.2 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 149 | -176.1 | -159.1 | -95.9 | 0 | 0 | 0 | 112.1 | V27 N260 F261 A264 L275 K276 I278 F312 | F25-V27 HydrophobicContact CD1-CG2 4.06Å; F25-V27 HydrophobicContact CE1-CG2 3.66Å; F25-N260 HydrophobicContact CE1-CB 3.8Å; F25-N260 HydrophobicContact CZ-CB 3.95Å; F25-F261 HydrophobicContact CB-CD1 4.44Å; F25-F261 AromaticContact CD1-CD1 3.92Å; F25-F261 HydrophobicContact CD1-CD1 3.92Å; F25-F261 AromaticContact CD1-CE1 3.92Å; F25-F261 HydrophobicContact CD1-CE1 3.92Å; F25-F261 HydrophobicContact CG-CD1 4.5Å; F25-A264 HydrophobicContact CB-CB 4.16Å; F25-A264 HydrophobicContact CD2-CB 3.81Å; F25-A264 HydrophobicContact CE2-CB 4.47Å; F25-A264 HydrophobicContact CG-CB 4.18Å; F25-L275 VanDerWaalsContact CD2-O 3.26Å; F25-L275 WeakPolarHBondContact CD2-O 2.95Å; F25-L275 HydrophobicContact CE2-CB 4.2Å; F25-L275 HydrophobicContact CE2-CD2 4.09Å; F25-L275 HydrophobicContact CE2-CG 3.79Å; F25-L275 WeakPolarHBondContact CE2-O 3.5Å; F25-L275 HydrophobicContact CZ-CD2 4.03Å; F25-L275 HydrophobicContact CZ-CG 4.11Å; F25-K276 CarbonylContact C-O 3.43Å; F25-K276 WeakPolarHBondContact CA-O 3.14Å; F25-I278 HydrophobicContact CE1-CD1 4Å; F25-I278 HydrophobicContact CE1-CG1 4.12Å; F25-I278 HydrophobicContact CZ-CD1 3.59Å; F25-I278 HydrophobicContact CZ-CG1 3.69Å; F25-F312 HydrophobicContact CB-CB 3.98Å; F25-F312 HydrophobicContact CB-CD1 4.06Å; F25-F312 HydrophobicContact CB-CG 4.49Å; F25-F312 PolarHBondContact N-O 3.43Å; F25-F312 WeakPolarHBondContact O-CB 3.38Å; F25-F312 PolarHBondContact O-N 2.93Å |
| 26 | V | 98.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 137.7 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | L23 Y77 F80 K276 F277 I278 F310 E311 | L23-V26 HydrophobicContact CD1-CG2 3.95Å; L23-V26 HydrophobicContact CD2-CG2 3.81Å; L23-V26 HydrophobicContact CG-CG2 4.17Å; V26-Y77 HydrophobicContact CG1-CE1 4.09Å; V26-Y77 HydrophobicContact CG1-CE2 4.12Å; V26-Y77 HydrophobicContact CG2-CD1 3.94Å; V26-Y77 HydrophobicContact CG2-CE1 3.64Å; V26-F80 HydrophobicContact CG2-CD1 4.19Å; V26-F80 HydrophobicContact CG2-CE1 3.82Å; V26-K276 PolarHBondContact N-O 3.33Å; V26-F277 HydrophobicContact CB-CD2 3.74Å; V26-F277 HydrophobicContact CB-CE2 3.77Å; V26-F277 HydrophobicContact CB-CG 4.17Å; V26-F277 HydrophobicContact CB-CZ 4.2Å; V26-F277 HydrophobicContact CG1-CD2 3.97Å; V26-F277 HydrophobicContact CG1-CE1 4.07Å; V26-F277 HydrophobicContact CG1-CE2 3.46Å; V26-F277 VanDerWaalsContact CG1-CE2 3.46Å; V26-F277 HydrophobicContact CG1-CG 4.49Å; V26-F277 HydrophobicContact CG1-CZ 3.51Å; V26-F277 HydrophobicContact CG2-CD2 4.35Å; V26-F277 HydrophobicContact CG2-CE2 4.38Å; V26-F277 CarbonylContact O-C 3.57Å; V26-F277 WeakPolarHBondContact O-CA 3.47Å; V26-I278 PolarHBondContact O-N 3.25Å; V26-F310 CarbonylContact C-O 3.56Å; V26-F310 VanDerWaalsContact CA-O 3.31Å; V26-F310 WeakPolarHBondContact CA-O 3.47Å; V26-E311 HydrophobicContact CG2-CG 4.49Å |
| 27 | V | 98.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.5 | 164 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | F25 V29 I257 F261 I278 Y280 L309 F310 | F25-V27 HydrophobicContact CD1-CG2 4.06Å; F25-V27 HydrophobicContact CE1-CG2 3.66Å; V27-V29 HydrophobicContact CG1-CG2 4.13Å; V27-I257 HydrophobicContact CB-CG1 4.5Å; V27-I257 HydrophobicContact CG1-CD1 4.09Å; V27-I257 HydrophobicContact CG1-CG1 4.06Å; V27-I257 HydrophobicContact CG2-CG1 4.34Å; V27-I257 HydrophobicContact CG2-CG2 4.17Å; V27-F261 HydrophobicContact CG2-CE1 4.33Å; V27-I278 WeakPolarHBondContact CA-O 3.27Å; V27-I278 HydrophobicContact CG2-CB 4.38Å; V27-Y280 HydrophobicContact CG1-CD2 3.58Å; V27-Y280 HydrophobicContact CG1-CE2 3.7Å; V27-L309 CarbonylContact O-C 3.38Å; V27-L309 WeakPolarHBondContact O-CA 3.48Å; V27-F310 HydrophobicContact CB-CB 4.24Å; V27-F310 HydrophobicContact CB-CD2 4.35Å; V27-F310 PolarHBondContact N-O 3.44Å; V27-F310 PolarHBondContact O-N 3.42Å |
| 28 | A | 98.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | F277 I278 I279 Y280 L309 | A28-F277 HydrophobicContact CB-CE1 3.71Å; A28-F277 HydrophobicContact CB-CZ 3.95Å; A28-I278 PolarHBondContact N-O 3.07Å; A28-I279 CarbonylContact O-C 3.52Å; A28-I279 WeakPolarHBondContact O-CA 3.19Å; A28-Y280 PolarHBondContact O-N 3.08Å; A28-L309 HydrophobicContact CB-CD2 3.72Å |
| 29 | V | 98.9 | Very high | 93 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 121.7 | 170.6 | -171.9 | 0 | 0 | 0 | 0 | 107.4 | V27 L253 I257 Y280 T286 L287 L290 C307 Q308 F310 | V27-V29 HydrophobicContact CG1-CG2 4.13Å; V29-L253 HydrophobicContact CG1-CD2 4.09Å; V29-L253 HydrophobicContact CG2-CD2 4.1Å; V29-I257 HydrophobicContact CG2-CD1 4.36Å; V29-Y280 WeakPolarHBondContact CA-O 3.45Å; V29-Y280 HydrophobicContact CG2-CD2 3.95Å; V29-T286 HydrophobicContact CG1-CG2 4.22Å; V29-L287 HydrophobicContact CB-CD2 4.16Å; V29-L287 HydrophobicContact CG1-CD2 3.9Å; V29-L287 WeakPolarHBondContact O-CD2 3.48Å; V29-L290 HydrophobicContact CB-CD2 4.21Å; V29-L290 HydrophobicContact CG1-CD2 4.37Å; V29-L290 HydrophobicContact CG2-CD2 3.89Å; V29-C307 CarbonylContact O-C 3.55Å; V29-C307 WeakPolarHBondContact O-CA 3.47Å; V29-Q308 PolarHBondContact N-O 3.09Å; V29-Q308 PolarHBondContact O-N 3.5Å; V29-F310 HydrophobicContact CG2-CE2 4.43Å |
| 30 | F | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 152.5 | 179.5 | 61.8 | -114 | 0 | 0 | 0 | 113.9 | L69 C107 I279 Y280 S281 A282 A306 C307 | F30-L69 HydrophobicContact CB-CD2 3.91Å; F30-L69 HydrophobicContact CD1-CD2 3.8Å; F30-L69 HydrophobicContact CD2-CD2 4.48Å; F30-L69 HydrophobicContact CE1-CD2 4.36Å; F30-L69 HydrophobicContact CG-CD2 3.85Å; F30-C107 HydrophobicContact CE1-CB 4.31Å; F30-C107 HydrophobicContact CZ-CB 4.05Å; F30-I279 HydrophobicContact CD1-CG2 4.06Å; F30-I279 HydrophobicContact CE1-CG2 3.25Å; F30-I279 HydrophobicContact CZ-CG2 3.84Å; F30-Y280 PolarHBondContact N-O 2.83Å; F30-S281 WeakPolarHBondContact CE2-OG 3.48Å; F30-A282 CarbonylContact O-C 3.45Å; F30-A282 PolarHBondContact O-N 3.3Å; F30-A306 CarbonylContact C-O 3.52Å; F30-A306 WeakPolarHBondContact CA-O 3.26Å; F30-A306 VanDerWaalsContact CB-O 3.26Å; F30-A306 WeakPolarHBondContact CB-O 3.28Å; F30-C307 HydrophobicContact CB-CB 3.94Å |
| 31 | R | 98.8 | Very high | 96.3 | Very high | 18 Ų | 18 | 18.9 Ų | 18.9 | 7% | 0.068 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 143.9 | 166.3 | -176.3 | -175.8 | -170.8 | -153.4 | 0 | 108.9 | Q66 D284 L287 P302 P303 Y304 A305 A306 | R31-Q66 PolarHBondContact O-NE2 3Å; R31-D284 HydrophobicContact CG-CB 4.45Å; R31-D284 IonicContact CZ-OD2 3.48Å; R31-D284 VanDerWaalsContact CZ-OD2 3.28Å; R31-D284 IonicContact NE-OD2 2.78Å; R31-D284 PolarHBondContact NE-OD2 2.91Å; R31-D284 IonicContact NH2-OD2 3.47Å; R31-D284 PolarHBondContact NH2-OD2 3.24Å; R31-L287 HydrophobicContact CB-CD1 3.92Å; R31-P302 WeakPolarHBondContact CD-O 3.4Å; R31-P302 PolarHBondContact NH1-O 3.49Å; R31-P303 VanDerWaalsContact CD-O 3.25Å; R31-P303 WeakPolarHBondContact CD-O 3.39Å; R31-P303 VanDerWaalsContact NH1-C 3.34Å; R31-Y304 VanDerWaalsContact CZ-CD1 3.46Å; R31-Y304 VanDerWaalsContact CZ-CE1 3.44Å; R31-A305 WeakPolarHBondContact O-CA 3.49Å; R31-A306 PolarHBondContact N-O 3.48Å |
| 32 | H | 98.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | trans | -50.7 | 161.4 | 167.5 | 61 | 76.1 | 0 | 0 | 0 | 113.3 | R35 Q66 R99 T100 S103 A282 H283 Y304 A305 | H32-R35 VanDerWaalsContact CE1-CD 3.48Å; H32-R35 WeakPolarHBondContact CE1-CD 3.45Å; H32-R35 PolarHBondContact CE1-NE 3.17Å; H32-R35 VanDerWaalsContact CE1-NE 3.33Å; H32-Q66 VanDerWaalsContact C-NE2 3.27Å; H32-R99 HydrophobicContact CB-CG 4.4Å; H32-R99 WeakPolarHBondContact NE2-CD 3.31Å; H32-R99 PolarHBondContact NE2-NE 3.06Å; H32-T100 HydrophobicContact CB-CG2 3.97Å; H32-S103 VanDerWaalsContact CA-OG 3.3Å; H32-S103 WeakPolarHBondContact CA-OG 3.25Å; H32-S103 VanDerWaalsContact CB-OG 3.26Å; H32-S103 WeakPolarHBondContact CB-OG 3.31Å; H32-A282 PolarHBondContact N-O 3.47Å; H32-H283 AromaticContact CD2-ND1 3.74Å; H32-Y304 AromaticContact CE1-CE1 3.78Å; H32-A305 PolarHBondContact O-N 2.9Å | ||
| 33 | G | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -69.2 | -178.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q66 S103 Y304 | G33-Q66 VanDerWaalsContact N-NE2 3.1Å; G33-S103 PolarHBondContact N-OG 3.45Å; G33-Y304 VanDerWaalsContact O-CD1 3.29Å; G33-Y304 WeakPolarHBondContact O-CD1 3.46Å | ||
| 34 | D | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -49.8 | 143.1 | 173.3 | 178.8 | -97.1 | 0 | 0 | 0 | 112.9 | L58 T59 L61 G62 H209 Y304 | D34-L58 VanDerWaalsContact O-CD1 3.31Å; D34-L58 WeakPolarHBondContact O-CD1 3.3Å; D34-T59 PolarHBondContact O-N 2.02Å; D34-T59 PolarHBondContact O-OG1 2.84Å; D34-T59 WeakPolarHBondContact OD1-CB 3.35Å; D34-T59 WeakPolarHBondContact OD1-CG2 3.47Å; D34-T59 PolarHBondContact OD1-OG1 3.34Å; D34-L61 HydrophobicContact CB-CB 4.3Å; D34-L61 HydrophobicContact CB-CD2 4.09Å; D34-L61 HydrophobicContact CB-CG 3.99Å; D34-G62 WeakPolarHBondContact O-CA 3.3Å; D34-H209 IonicContact OD1-CD2 3.9Å; D34-H209 IonicContact OD1-CE1 3.35Å; D34-H209 PolarHBondContact OD1-CE1 3.16Å; D34-H209 IonicContact OD1-NE2 2.71Å; D34-H209 PolarHBondContact OD1-NE2 3.47Å; D34-H209 IonicContact OD2-NE2 3.83Å; D34-Y304 HydrophobicContact CB-CD2 3.77Å; D34-Y304 HydrophobicContact CB-CE2 4.08Å; D34-Y304 HydrophobicContact CB-CG 4.19Å; D34-Y304 WeakPolarHBondContact OD2-CE2 3.35Å | ||
| 35 | R | 98.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.015 | 13% | 0.127 | C | C | . | . | B | Isolated β-bridge | trans | -146.2 | 163.4 | -173.8 | 58.9 | 158.2 | 175.4 | 72.5 | 7.7 | 111.7 | H32 Q57 D201 C205 Y304 | H32-R35 VanDerWaalsContact CE1-CD 3.48Å; H32-R35 WeakPolarHBondContact CE1-CD 3.45Å; H32-R35 PolarHBondContact CE1-NE 3.17Å; H32-R35 VanDerWaalsContact CE1-NE 3.33Å; R35-Q57 CarbonylContact C-O 3.59Å; R35-Q57 WeakPolarHBondContact CA-O 3.22Å; R35-Q57 WeakPolarHBondContact CB-O 3.36Å; R35-D201 IonicContact CZ-OD1 3.23Å; R35-D201 IonicContact CZ-OD2 3.42Å; R35-D201 IonicContact NH1-OD1 2.8Å; R35-D201 PolarHBondContact NH1-OD1 3.22Å; R35-D201 IonicContact NH1-OD2 2.86Å; R35-D201 PolarHBondContact NH1-OD2 3.39Å; R35-D201 IonicContact NH2-OD1 2.67Å; R35-D201 PolarHBondContact NH2-OD1 2.88Å; R35-D201 IonicContact NH2-OD2 3.83Å; R35-D201 PolarHBondContact NH2-OD2 3.1Å; R35-C205 PolarHBondContact O-SG 3.49Å; R35-Y304 HydrophobicContact CG-CE1 3.87Å; R35-Y304 WeakPolarHBondContact CG-OH 3.46Å |
| 36 | S | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | trans | -63.6 | 160.6 | 162.6 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | G54 F55 G56 Q57 | S36-G54 WeakPolarHBondContact CB-O 3.37Å; S36-G54 PolarHBondContact OG-O 3.42Å; S36-F55 WeakPolarHBondContact OG-CA 3.48Å; S36-G56 PolarHBondContact OG-N 2.88Å; S36-Q57 PolarHBondContact N-O 3.18Å; S36-Q57 PolarHBondContact OG-N 2.83Å; S36-Q57 PolarHBondContact OG-O 3.09Å | ||
| 37 | P | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -54.6 | 145.9 | 175.3 | -19 | 27.8 | 0 | 0 | 0 | 110.4 | E39 W51 F55 G56 T202 C205 | P37-E39 VanDerWaalsContact CB-O 3.23Å; P37-E39 WeakPolarHBondContact CB-O 3.2Å; P37-E39 PolarHBondContact O-N 3.3Å; P37-W51 HydrophobicContact CG-CH2 4.22Å; P37-W51 HydrophobicContact CG-CZ2 3.5Å; P37-F55 HydrophobicContact CB-CD1 4.1Å; P37-F55 HydrophobicContact CB-CE1 4.24Å; P37-F55 HydrophobicContact CG-CD1 4.31Å; P37-F55 HydrophobicContact CG-CE1 4.22Å; P37-F55 CarbonylContact O-C 3.54Å; P37-F55 VanDerWaalsContact O-CA 3.27Å; P37-F55 WeakPolarHBondContact O-CA 3.2Å; P37-F55 WeakPolarHBondContact O-CB 3.36Å; P37-F55 VanDerWaalsContact O-CD1 3.3Å; P37-F55 WeakPolarHBondContact O-CD1 3.47Å; P37-G56 PolarHBondContact O-N 3.45Å; P37-T202 HydrophobicContact CB-CG2 4.29Å; P37-T202 HydrophobicContact CG-CG2 4.24Å; P37-C205 HydrophobicContact CG-CB 3.75Å | ||
| 38 | I | 95.9 | Very high | 96.8 | Very high | 58 Ų | 58 | 31.7 Ų | 31.7 | 30% | 0.297 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -72.7 | -22.4 | 173.2 | 60 | 166.9 | 0 | 0 | 0 | 113.1 | W197 R198 | I38-W197 HydrophobicContact CD1-CH2 4.4Å; I38-W197 HydrophobicContact CD1-CZ3 3.75Å; I38-W197 HydrophobicContact CG1-CZ3 4.41Å; I38-R198 HydrophobicContact CD1-CG 4.42Å |
| 39 | E | 94.3 | Very high | 96.7 | Very high | 42 Ų | 42 | 38.9 Ų | 38.9 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | trans | -162.7 | 176.7 | 172.8 | 67.5 | 177.1 | -148.8 | 0 | 0 | 108.6 | P37 Y186 K195 R198 T202 | P37-E39 VanDerWaalsContact CB-O 3.23Å; P37-E39 WeakPolarHBondContact CB-O 3.2Å; P37-E39 PolarHBondContact O-N 3.3Å; E39-Y186 PolarHBondContact OE1-OH 3.46Å; E39-K195 IonicContact OE1-NZ 3.73Å; E39-K195 PolarHBondContact OE1-NZ 2.8Å; E39-K195 IonicContact OE2-NZ 2.74Å; E39-R198 VanDerWaalsContact CD-CZ 3.48Å; E39-R198 HydrophobicContact CG-CB 4.4Å; E39-R198 HydrophobicContact CG-CG 4.14Å; E39-R198 WeakPolarHBondContact OE1-CD 3.29Å; E39-R198 IonicContact OE1-CZ 2.87Å; E39-R198 IonicContact OE1-NE 3.47Å; E39-R198 PolarHBondContact OE1-NE 3.24Å; E39-R198 IonicContact OE1-NH1 2.73Å; E39-R198 PolarHBondContact OE1-NH1 2.72Å; E39-R198 IonicContact OE2-CZ 2.61Å; E39-R198 IonicContact OE2-NE 3.53Å; E39-R198 IonicContact OE2-NH1 3.65Å; E39-R198 PolarHBondContact OE2-NH1 3.28Å; E39-R198 IonicContact OE2-NH2 3.87Å; E39-T202 PolarHBondContact O-OG1 3.45Å | ||
| 40 | S | 94.4 | Very high | 96.6 | Very high | 28 Ų | 28 | 41.9 Ų | 41.9 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | trans | -120.2 | 171.7 | 172.7 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | D44 Y186 | S40-D44 WeakPolarHBondContact OG-CB 3.25Å; S40-D44 PolarHBondContact OG-OD2 3.19Å; S40-Y186 PolarHBondContact O-OH 3.29Å | ||
| 41 | Y | 94.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | trans | -98.3 | 150.5 | 173.9 | 57.1 | -91.7 | 0 | 0 | 0 | 111.2 | R43 D44 T184 Y186 V199 T202 L203 P214 W216 | Y41-R43 PolarHBondContact O-N 3.31Å; Y41-D44 HydrophobicContact CD1-CB 4.12Å; Y41-D44 HydrophobicContact CD2-CB 3.78Å; Y41-D44 VanDerWaalsContact CD2-N 3.34Å; Y41-D44 HydrophobicContact CE1-CB 3.87Å; Y41-D44 HydrophobicContact CE2-CB 3.55Å; Y41-D44 HydrophobicContact CG-CB 4.06Å; Y41-D44 VanDerWaalsContact O-CB 3.23Å; Y41-D44 WeakPolarHBondContact O-CB 2.99Å; Y41-D44 PolarHBondContact O-N 3.21Å; Y41-D44 PolarHBondContact OH-OD1 3.41Å; Y41-T184 HydrophobicContact CD2-CG2 3.98Å; Y41-T184 HydrophobicContact CE2-CG2 4.4Å; Y41-T184 HydrophobicContact CG-CG2 4.11Å; Y41-Y186 VanDerWaalsContact CB-CE2 3.41Å; Y41-V199 HydrophobicContact CD1-CG1 4.34Å; Y41-V199 HydrophobicContact CD1-CG2 4.42Å; Y41-T202 HydrophobicContact CD1-CG2 4.19Å; Y41-T202 HydrophobicContact CE1-CG2 4.07Å; Y41-L203 HydrophobicContact CE1-CD2 4.13Å; Y41-L203 HydrophobicContact CE1-CG 4.36Å; Y41-P214 WeakPolarHBondContact OH-CG 3.35Å; Y41-W216 AromaticContact CE2-CZ2 3.91Å; Y41-W216 HydrophobicContact CE2-CZ2 3.91Å; Y41-W216 AromaticContact CZ-CZ2 3.76Å | ||
| 42 | P | 95.6 | Very high | 96.3 | Very high | 88 Ų | 88 | 46.4 Ų | 46.4 | 57% | 0.571 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -29.7 | -168.4 | -30.8 | 33.5 | 0 | 0 | 0 | 117.5 | T184 Y186 | P42-T184 VanDerWaalsContact CD-O 3.22Å; P42-T184 WeakPolarHBondContact CD-O 3.5Å; P42-Y186 HydrophobicContact CG-CD1 4.1Å; P42-Y186 HydrophobicContact CG-CE1 4Å |
| 43 | R | 96.3 | Very high | 96.2 | Very high | 161 Ų | 161 | 52 Ų | 52 | 61% | 0.608 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 15.1 | -179 | -67 | -177.5 | -177.4 | -164.6 | -4.6 | 113.8 | Y41 N182 H183 T184 | Y41-R43 PolarHBondContact O-N 3.31Å; R43-N182 PolarHBondContact NH1-O 3.34Å; R43-H183 VanDerWaalsContact CB-O 3.29Å; R43-H183 WeakPolarHBondContact CB-O 3.36Å; R43-T184 PolarHBondContact N-O 2.84Å |
| 44 | D | 96.5 | Very high | 96.2 | Very high | 20 Ų | 20 | 52.5 Ų | 52.5 | 11% | 0.107 | 29% | 0.286 | C | S | . | . | trans | -67.1 | 128.2 | 174.2 | -168.4 | 6.7 | 0 | 0 | 0 | 109.6 | S40 Y41 H46 T202 Q206 | S40-D44 WeakPolarHBondContact OG-CB 3.25Å; S40-D44 PolarHBondContact OG-OD2 3.19Å; Y41-D44 HydrophobicContact CD1-CB 4.12Å; Y41-D44 HydrophobicContact CD2-CB 3.78Å; Y41-D44 VanDerWaalsContact CD2-N 3.34Å; Y41-D44 HydrophobicContact CE1-CB 3.87Å; Y41-D44 HydrophobicContact CE2-CB 3.55Å; Y41-D44 HydrophobicContact CG-CB 4.06Å; Y41-D44 VanDerWaalsContact O-CB 3.23Å; Y41-D44 WeakPolarHBondContact O-CB 2.99Å; Y41-D44 PolarHBondContact O-N 3.21Å; Y41-D44 PolarHBondContact OH-OD1 3.41Å; D44-H46 PolarHBondContact O-N 3.21Å; D44-H46 IonicContact OD1-CD2 3.95Å; D44-H46 PolarHBondContact OD1-N 2.72Å; D44-T202 VanDerWaalsContact OD2-CG2 3.3Å; D44-T202 WeakPolarHBondContact OD2-CG2 3.29Å; D44-Q206 PolarHBondContact OD1-NE2 3.44Å; D44-Q206 PolarHBondContact OD2-NE2 3.27Å | ||
| 45 | P | 94.9 | Very high | 96.2 | Very high | 84 Ų | 84 | 54.7 Ų | 54.7 | 55% | 0.545 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -69.3 | -15 | 175.9 | 28.7 | -37.4 | 0 | 0 | 0 | 113.3 | P214 | P45-P214 HydrophobicContact CG-CG 4.09Š|
| 46 | H | 95.3 | Very high | 96.1 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | trans | -105.2 | 104.9 | -179.1 | -59.5 | -62 | 0 | 0 | 0 | 110.2 | D44 V50 T212 | D44-H46 PolarHBondContact O-N 3.21Å; D44-H46 IonicContact OD1-CD2 3.95Å; D44-H46 PolarHBondContact OD1-N 2.72Å; H46-V50 HydrophobicContact CB-CG1 4.47Å; H46-V50 HydrophobicContact CB-CG2 3.98Å; H46-T212 PolarHBondContact NE2-O 3.08Å | ||
| 47 | G | 92.8 | Very high | 96.1 | Very high | 21 Ų | 21 | 56.7 Ų | 56.7 | 22% | 0.216 | 31% | 0.307 | C | S | . | . | trans | -77.2 | -166.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E49 | G47-E49 VanDerWaalsContact C-N 3.27Å; G47-E49 VanDerWaalsContact C-OE2 3.27Å; G47-E49 VanDerWaalsContact CA-OE1 3.24Å; G47-E49 WeakPolarHBondContact CA-OE1 3.41Å; G47-E49 VanDerWaalsContact CA-OE2 3.26Å; G47-E49 WeakPolarHBondContact CA-OE2 3.35Å; G47-E49 PolarHBondContact N-OE1 3.13Å; G47-E49 VanDerWaalsContact N-OE1 3.15Å; G47-E49 PolarHBondContact O-N 3.28Å | ||
| 48 | E | 96.1 | Very high | 96.2 | Very high | 101 Ų | 101 | 56.8 Ų | 56.8 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -69 | -30.4 | 178.5 | -173.6 | 164 | -151.5 | 0 | 0 | 111.8 | V50 W51 F55 | E48-V50 PolarHBondContact O-N 2.97Å; E48-V50 VanDerWaalsContact O-N 3.16Å; E48-W51 WeakPolarHBondContact O-CB 3.48Å; E48-W51 PolarHBondContact O-N 3.39Å; E48-F55 HydrophobicContact CB-CD2 3.89Å; E48-F55 HydrophobicContact CB-CE1 4.34Å; E48-F55 HydrophobicContact CB-CE2 3.61Å; E48-F55 HydrophobicContact CB-CG 4.38Å; E48-F55 HydrophobicContact CB-CZ 3.85Å; E48-F55 HydrophobicContact CG-CD1 4.36Å; E48-F55 HydrophobicContact CG-CD2 3.82Å; E48-F55 HydrophobicContact CG-CE2 4.08Å; E48-F55 HydrophobicContact CG-CG 3.97Å; E48-F55 HydrophobicContact CG-CZ 4.45Å; E48-F55 PolarHBondContact OE1-N 3.29Å |
| 49 | E | 95.8 | Very high | 96.3 | Very high | 150 Ų | 150 | 54.5 Ų | 54.5 | 70% | 0.701 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -62.6 | -20.6 | -175.1 | 67.2 | -72.3 | 164.7 | 0 | 0 | 114.9 | G47 W51 | G47-E49 VanDerWaalsContact C-N 3.27Å; G47-E49 VanDerWaalsContact C-OE2 3.27Å; G47-E49 VanDerWaalsContact CA-OE1 3.24Å; G47-E49 WeakPolarHBondContact CA-OE1 3.41Å; G47-E49 VanDerWaalsContact CA-OE2 3.26Å; G47-E49 WeakPolarHBondContact CA-OE2 3.35Å; G47-E49 PolarHBondContact N-OE1 3.13Å; G47-E49 VanDerWaalsContact N-OE1 3.15Å; G47-E49 PolarHBondContact O-N 3.28Å; E49-W51 VanDerWaalsContact C-N 3.26Å |
| 50 | V | 96.5 | Very high | 96.5 | Very high | 63 Ų | 63 | 60.4 Ų | 60.4 | 38% | 0.382 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -78.2 | -14.4 | 176.1 | -49.3 | 0 | 0 | 0 | 0 | 112.4 | H46 E48 L211 | H46-V50 HydrophobicContact CB-CG1 4.47Å; H46-V50 HydrophobicContact CB-CG2 3.98Å; E48-V50 PolarHBondContact O-N 2.97Å; E48-V50 VanDerWaalsContact O-N 3.16Å; V50-L211 HydrophobicContact CG2-CD1 3.87Å |
| 51 | W | 97.1 | Very high | 96.7 | Very high | 20 Ų | 20 | 62.4 Ų | 62.4 | 8% | 0.076 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -97.3 | 119.5 | 179.6 | -58.9 | 92 | 0 | 0 | 0 | 109.2 | P37 E48 E49 Q53 G54 F55 C205 Q206 H209 L211 | P37-W51 HydrophobicContact CG-CH2 4.22Å; P37-W51 HydrophobicContact CG-CZ2 3.5Å; E48-W51 WeakPolarHBondContact O-CB 3.48Å; E48-W51 PolarHBondContact O-N 3.39Å; E49-W51 VanDerWaalsContact C-N 3.26Å; W51-Q53 PolarHBondContact O-N 3.28Å; W51-G54 PolarHBondContact O-N 2.94Å; W51-F55 AromaticContact CD1-CD1 3.93Å; W51-F55 AromaticContact CD1-CE1 3.56Å; W51-F55 AromaticContact NE1-CE1 3.7Å; W51-C205 HydrophobicContact CH2-CB 3.88Å; W51-C205 HydrophobicContact CZ2-CB 4.32Å; W51-Q206 HydrophobicContact CZ2-CG 4.04Å; W51-H209 HydrophobicContact CH2-CB 4.09Å; W51-H209 AromaticContact CH2-CD2 3.97Å; W51-H209 HydrophobicContact CZ3-CB 4.08Å; W51-H209 AromaticContact CZ3-CD2 3.64Å; W51-H209 AromaticContact CZ3-CG 3.7Å; W51-L211 HydrophobicContact CH2-CD1 4.3Å; W51-L211 HydrophobicContact CZ2-CD1 3.87Å |
| 52 | A | 95.6 | Very high | 96.9 | Very high | 94 Ų | 94 | 62.1 Ų | 62.1 | 78% | 0.777 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 53 | Q | 97 | Very high | 97.1 | Very high | 119 Ų | 119 | 61.3 Ų | 61.3 | 56% | 0.556 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | 9 | 175.6 | -63.6 | 76.1 | 52.1 | 0 | 0 | 112.9 | W51 Q57 | W51-Q53 PolarHBondContact O-N 3.28Å; Q53-Q57 HydrophobicContact CB-CB 3.73Å; Q53-Q57 HydrophobicContact CB-CG 3.86Å; Q53-Q57 VanDerWaalsContact O-CG 3.27Å; Q53-Q57 WeakPolarHBondContact O-CG 3.35Å |
| 54 | G | 97.8 | Very high | 97.2 | Very high | 11 Ų | 11 | 59.7 Ų | 59.7 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | trans | 75.2 | -162.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S36 W51 | S36-G54 WeakPolarHBondContact CB-O 3.37Å; S36-G54 PolarHBondContact OG-O 3.42Å; W51-G54 PolarHBondContact O-N 2.94Å | ||
| 55 | F | 98.1 | Very high | 97.3 | Very high | 45 Ų | 45 | 60.7 Ų | 60.7 | 20% | 0.197 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 148 | -172.7 | -72.5 | -35.8 | 0 | 0 | 0 | 114.4 | S36 P37 E48 W51 Q57 | S36-F55 WeakPolarHBondContact OG-CA 3.48Å; P37-F55 HydrophobicContact CB-CD1 4.1Å; P37-F55 HydrophobicContact CB-CE1 4.24Å; P37-F55 HydrophobicContact CG-CD1 4.31Å; P37-F55 HydrophobicContact CG-CE1 4.22Å; P37-F55 CarbonylContact O-C 3.54Å; P37-F55 VanDerWaalsContact O-CA 3.27Å; P37-F55 WeakPolarHBondContact O-CA 3.2Å; P37-F55 WeakPolarHBondContact O-CB 3.36Å; P37-F55 VanDerWaalsContact O-CD1 3.3Å; P37-F55 WeakPolarHBondContact O-CD1 3.47Å; E48-F55 HydrophobicContact CB-CD2 3.89Å; E48-F55 HydrophobicContact CB-CE1 4.34Å; E48-F55 HydrophobicContact CB-CE2 3.61Å; E48-F55 HydrophobicContact CB-CG 4.38Å; E48-F55 HydrophobicContact CB-CZ 3.85Å; E48-F55 HydrophobicContact CG-CD1 4.36Å; E48-F55 HydrophobicContact CG-CD2 3.82Å; E48-F55 HydrophobicContact CG-CE2 4.08Å; E48-F55 HydrophobicContact CG-CG 3.97Å; E48-F55 HydrophobicContact CG-CZ 4.45Å; E48-F55 PolarHBondContact OE1-N 3.29Å; W51-F55 AromaticContact CD1-CD1 3.93Å; W51-F55 AromaticContact CD1-CE1 3.56Å; W51-F55 AromaticContact NE1-CE1 3.7Å; F55-Q57 PolarHBondContact O-N 3.44Å |
| 56 | G | 97.9 | Very high | 97.4 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 6% | 0.062 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 14.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S36 P37 R99 | S36-G56 PolarHBondContact OG-N 2.88Å; P37-G56 PolarHBondContact O-N 3.45Å; G56-R99 WeakPolarHBondContact O-CD 3.35Å; G56-R99 PolarHBondContact O-NH1 3.2Å; G56-R99 VanDerWaalsContact O-NH1 3.14Å |
| 57 | Q | 98.7 | Very high | 97.6 | Very high | 44 Ų | 44 | 60.3 Ų | 60.3 | 21% | 0.206 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -98.1 | 144.9 | -175.2 | -67.1 | -58.6 | -24.7 | 0 | 0 | 112.2 | R35 S36 Q53 F55 D98 | R35-Q57 CarbonylContact C-O 3.59Å; R35-Q57 WeakPolarHBondContact CA-O 3.22Å; R35-Q57 WeakPolarHBondContact CB-O 3.36Å; S36-Q57 PolarHBondContact N-O 3.18Å; S36-Q57 PolarHBondContact OG-N 2.83Å; S36-Q57 PolarHBondContact OG-O 3.09Å; Q53-Q57 HydrophobicContact CB-CB 3.73Å; Q53-Q57 HydrophobicContact CB-CG 3.86Å; Q53-Q57 VanDerWaalsContact O-CG 3.27Å; Q53-Q57 WeakPolarHBondContact O-CG 3.35Å; F55-Q57 PolarHBondContact O-N 3.44Å; Q57-D98 PolarHBondContact NE2-OD2 3.46Å; Q57-D98 PolarHBondContact OE1-OD2 3.14Å |
| 58 | L | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -67.8 | 133.8 | 178.1 | -166.7 | 76 | 0 | 0 | 0 | 110 | D34 M63 R99 M102 S103 | D34-L58 VanDerWaalsContact O-CD1 3.31Å; D34-L58 WeakPolarHBondContact O-CD1 3.3Å; L58-M63 HydrophobicContact CD2-CG 3.72Å; L58-M63 HydrophobicContact CG-CG 4.31Å; L58-R99 HydrophobicContact CB-CB 4.06Å; L58-R99 HydrophobicContact CD1-CB 4.42Å; L58-M102 HydrophobicContact CB-CE 4.37Å; L58-M102 HydrophobicContact CD2-CB 3.67Å; L58-S103 WeakPolarHBondContact CD1-OG 3.34Å |
| 59 | T | 98.7 | Very high | 98 | Very high | 11 Ų | 11 | 58.1 Ų | 58.1 | 7% | 0.067 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -91.3 | 169 | 178.9 | 65.8 | 0 | 0 | 0 | 0 | 110.5 | D34 L61 G62 M63 H209 | D34-T59 PolarHBondContact O-N 2.02Å; D34-T59 PolarHBondContact O-OG1 2.84Å; D34-T59 WeakPolarHBondContact OD1-CB 3.35Å; D34-T59 WeakPolarHBondContact OD1-CG2 3.47Å; D34-T59 PolarHBondContact OD1-OG1 3.34Å; T59-L61 PolarHBondContact O-N 2.83Å; T59-L61 PolarHBondContact OG1-N 3.27Å; T59-G62 WeakPolarHBondContact O-CA 3.31Å; T59-G62 PolarHBondContact O-N 3.14Å; T59-G62 PolarHBondContact OG1-N 3.21Å; T59-G62 VanDerWaalsContact OG1-N 3.07Å; T59-M63 WeakPolarHBondContact O-CG 3.19Å; T59-M63 PolarHBondContact O-N 3.33Å; T59-H209 VanDerWaalsContact CG2-CE1 3.43Å; T59-H209 WeakPolarHBondContact CG2-CE1 3.43Å |
| 60 | E | 98.3 | Very high | 98.1 | Very high | 166 Ų | 166 | 51 Ų | 51 | 78% | 0.776 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.1 | -36.7 | 171.4 | -63.6 | -175 | 166.7 | 0 | 0 | 112.1 | G62 M63 K64 | E60-G62 VanDerWaalsContact C-N 3.3Å; E60-G62 PolarHBondContact O-N 3.05Å; E60-M63 PolarHBondContact O-N 2.84Å; E60-K64 PolarHBondContact O-N 2.91Å |
| 61 | L | 98.6 | Very high | 98.1 | Very high | 69 Ų | 69 | 48.6 Ų | 48.6 | 36% | 0.361 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.6 | -43.5 | 172.1 | 176.8 | 60.1 | 0 | 0 | 0 | 110.8 | D34 T59 K64 Q65 I208 | D34-L61 HydrophobicContact CB-CB 4.3Å; D34-L61 HydrophobicContact CB-CD2 4.09Å; D34-L61 HydrophobicContact CB-CG 3.99Å; T59-L61 PolarHBondContact O-N 2.83Å; T59-L61 PolarHBondContact OG1-N 3.27Å; L61-K64 PolarHBondContact O-N 2.88Å; L61-Q65 HydrophobicContact CD1-CG 4.43Å; L61-Q65 VanDerWaalsContact O-CG 3.31Å; L61-Q65 WeakPolarHBondContact O-CG 3.33Å; L61-Q65 PolarHBondContact O-N 3.31Å; L61-I208 HydrophobicContact CD2-CG2 3.65Å |
| 62 | G | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -38.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D34 T59 E60 Q65 Q66 | D34-G62 WeakPolarHBondContact O-CA 3.3Å; T59-G62 WeakPolarHBondContact O-CA 3.31Å; T59-G62 PolarHBondContact O-N 3.14Å; T59-G62 PolarHBondContact OG1-N 3.21Å; T59-G62 VanDerWaalsContact OG1-N 3.07Å; E60-G62 VanDerWaalsContact C-N 3.3Å; E60-G62 PolarHBondContact O-N 3.05Å; G62-Q65 PolarHBondContact O-N 3.08Å; G62-Q66 WeakPolarHBondContact O-CG 3.41Å; G62-Q66 PolarHBondContact O-N 2.9Å; G62-Q66 VanDerWaalsContact O-N 3.1Å |
| 63 | M | 98.8 | Very high | 98.3 | Very high | 71 Ų | 71 | 43.8 Ų | 43.8 | 35% | 0.35 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.1 | -46.2 | 172.1 | -63.5 | 170.6 | -166.2 | 0 | 0 | 110.9 | L58 T59 E60 Q66 F67 M102 | L58-M63 HydrophobicContact CD2-CG 3.72Å; L58-M63 HydrophobicContact CG-CG 4.31Å; T59-M63 WeakPolarHBondContact O-CG 3.19Å; T59-M63 PolarHBondContact O-N 3.33Å; E60-M63 PolarHBondContact O-N 2.84Å; M63-Q66 PolarHBondContact O-N 3.09Å; M63-F67 WeakPolarHBondContact O-CB 3.49Å; M63-F67 PolarHBondContact O-N 3Å; M63-M102 HydrophobicContact CE-CE 3.53Å |
| 64 | K | 98.6 | Very high | 98.3 | Very high | 127 Ų | 127 | 40.5 Ų | 40.5 | 55% | 0.552 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -61.8 | -46.6 | 178.1 | -176.3 | 179 | 175.9 | -176 | 0 | 112.1 | E60 L61 Q66 F67 E68 | E60-K64 PolarHBondContact O-N 2.91Å; L61-K64 PolarHBondContact O-N 2.88Å; K64-Q66 VanDerWaalsContact C-N 3.27Å; K64-Q66 PolarHBondContact O-N 3.12Å; K64-F67 PolarHBondContact O-N 3.05Å; K64-E68 WeakPolarHBondContact CE-OE1 3.29Å; K64-E68 WeakPolarHBondContact O-CG 3.32Å; K64-E68 PolarHBondContact O-N 3.24Å |
| 65 | Q | 98.7 | Very high | 98.2 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 19% | 0.192 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.3 | -41.5 | 177 | -74.1 | 169.8 | -14.5 | 0 | 0 | 112.1 | L61 G62 E68 L69 A305 | L61-Q65 HydrophobicContact CD1-CG 4.43Å; L61-Q65 VanDerWaalsContact O-CG 3.31Å; L61-Q65 WeakPolarHBondContact O-CG 3.33Å; L61-Q65 PolarHBondContact O-N 3.31Å; G62-Q65 PolarHBondContact O-N 3.08Å; Q65-E68 PolarHBondContact O-N 2.94Å; Q65-L69 PolarHBondContact O-N 3.32Å; Q65-A305 HydrophobicContact CB-CB 3.96Å |
| 66 | Q | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.1 | -40.2 | 178.7 | -72.2 | -70.2 | -15.8 | 0 | 0 | 112 | R31 H32 G33 G62 M63 K64 E68 L69 G70 A106 C107 | R31-Q66 PolarHBondContact O-NE2 3Å; H32-Q66 VanDerWaalsContact C-NE2 3.27Å; G33-Q66 VanDerWaalsContact N-NE2 3.1Å; G62-Q66 WeakPolarHBondContact O-CG 3.41Å; G62-Q66 PolarHBondContact O-N 2.9Å; G62-Q66 VanDerWaalsContact O-N 3.1Å; M63-Q66 PolarHBondContact O-N 3.09Å; K64-Q66 VanDerWaalsContact C-N 3.27Å; K64-Q66 PolarHBondContact O-N 3.12Å; Q66-E68 VanDerWaalsContact C-N 3.29Å; Q66-E68 PolarHBondContact O-N 3.26Å; Q66-L69 WeakPolarHBondContact O-CB 3.27Å; Q66-L69 PolarHBondContact O-N 3.4Å; Q66-G70 PolarHBondContact O-N 3.35Å; Q66-A106 HydrophobicContact CB-CB 3.83Å; Q66-C107 HydrophobicContact CB-CB 4.42Å; Q66-C107 VanDerWaalsContact O-CA 3.23Å; Q66-C107 WeakPolarHBondContact O-CA 3.3Å |
| 67 | F | 98.4 | Very high | 98.1 | Very high | 107 Ų | 107 | 50.5 Ų | 50.5 | 47% | 0.469 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.7 | -43.3 | 171.9 | -174.4 | -87.3 | 0 | 0 | 0 | 111.6 | M63 K64 G70 G71 A106 A109 G110 | M63-F67 WeakPolarHBondContact O-CB 3.49Å; M63-F67 PolarHBondContact O-N 3Å; K64-F67 PolarHBondContact O-N 3.05Å; F67-G70 PolarHBondContact O-N 2.98Å; F67-G71 PolarHBondContact O-N 3.37Å; F67-A106 WeakPolarHBondContact CA-O 3.43Å; F67-A109 HydrophobicContact CD2-CB 4.06Å; F67-A109 HydrophobicContact CE2-CB 4.16Å; F67-G110 VanDerWaalsContact CE2-CA 3.47Å |
| 68 | E | 98.2 | Very high | 97.9 | Very high | 75 Ų | 75 | 49.6 Ų | 49.6 | 35% | 0.35 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 175.2 | -72.6 | 172.1 | -177.2 | 0 | 0 | 112.6 | K64 Q65 Q66 G70 G71 F72 | K64-E68 WeakPolarHBondContact CE-OE1 3.29Å; K64-E68 WeakPolarHBondContact O-CG 3.32Å; K64-E68 PolarHBondContact O-N 3.24Å; Q65-E68 PolarHBondContact O-N 2.94Å; Q66-E68 VanDerWaalsContact C-N 3.29Å; Q66-E68 PolarHBondContact O-N 3.26Å; E68-G70 VanDerWaalsContact C-N 3.32Å; E68-G70 PolarHBondContact O-N 2.95Å; E68-G71 PolarHBondContact O-N 3.39Å; E68-F72 PolarHBondContact O-N 3.09Å |
| 69 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59 | -44.7 | 172.6 | 177.8 | 63.6 | 0 | 0 | 0 | 110.9 | F30 Q65 Q66 G71 F72 L73 C307 | F30-L69 HydrophobicContact CB-CD2 3.91Å; F30-L69 HydrophobicContact CD1-CD2 3.8Å; F30-L69 HydrophobicContact CD2-CD2 4.48Å; F30-L69 HydrophobicContact CE1-CD2 4.36Å; F30-L69 HydrophobicContact CG-CD2 3.85Å; Q65-L69 PolarHBondContact O-N 3.32Å; Q66-L69 WeakPolarHBondContact O-CB 3.27Å; Q66-L69 PolarHBondContact O-N 3.4Å; L69-G71 PolarHBondContact O-N 3.43Å; L69-F72 HydrophobicContact CD1-CD1 4.2Å; L69-F72 WeakPolarHBondContact O-CB 3.4Å; L69-F72 PolarHBondContact O-N 2.98Å; L69-F72 VanDerWaalsContact O-N 3.16Å; L69-L73 HydrophobicContact CG-CD1 4.45Å; L69-L73 WeakPolarHBondContact O-CG 3.41Å; L69-L73 PolarHBondContact O-N 3.1Å; L69-C307 HydrophobicContact CD1-CB 3.93Å; L69-C307 HydrophobicContact CD2-CB 4.24Å |
| 70 | G | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.3 | -47 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q66 F67 E68 F72 L73 R74 C107 M111 | Q66-G70 PolarHBondContact O-N 3.35Å; F67-G70 PolarHBondContact O-N 2.98Å; E68-G70 VanDerWaalsContact C-N 3.32Å; E68-G70 PolarHBondContact O-N 2.95Å; G70-F72 VanDerWaalsContact C-N 3.3Å; G70-F72 PolarHBondContact O-N 3.29Å; G70-L73 PolarHBondContact O-N 2.7Å; G70-R74 PolarHBondContact O-N 3.26Å; G70-C107 VanDerWaalsContact CA-O 3.22Å; G70-C107 WeakPolarHBondContact CA-O 3.19Å; G70-C107 VanDerWaalsContact CA-SG 3.58Å; G70-M111 WeakPolarHBondContact O-CA 3.41Å |
| 71 | G | 97.1 | Very high | 97.3 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 13% | 0.134 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.9 | -36.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F67 E68 L69 R75 G110 | F67-G71 PolarHBondContact O-N 3.37Å; E68-G71 PolarHBondContact O-N 3.39Å; L69-G71 PolarHBondContact O-N 3.43Å; G71-R75 WeakPolarHBondContact O-CG 3.35Å; G71-R75 PolarHBondContact O-N 2.9Å; G71-R75 PolarHBondContact O-NH1 3.37Å; G71-G110 WeakPolarHBondContact CA-O 3.05Å; G71-G110 PolarHBondContact N-O 2.88Å |
| 72 | F | 98.1 | Very high | 97 | Very high | 14 Ų | 14 | 50.2 Ų | 50.2 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.3 | -49.8 | 171.7 | 162.6 | -93.1 | 0 | 0 | 0 | 111.9 | E68 L69 G70 R74 R75 R76 L309 P334 | E68-F72 PolarHBondContact O-N 3.09Å; L69-F72 HydrophobicContact CD1-CD1 4.2Å; L69-F72 WeakPolarHBondContact O-CB 3.4Å; L69-F72 PolarHBondContact O-N 2.98Å; L69-F72 VanDerWaalsContact O-N 3.16Å; G70-F72 VanDerWaalsContact C-N 3.3Å; G70-F72 PolarHBondContact O-N 3.29Å; F72-R74 VanDerWaalsContact C-N 3.26Å; F72-R74 PolarHBondContact O-N 3.12Å; F72-R75 PolarHBondContact O-N 3.46Å; F72-R75 VanDerWaalsContact O-N 3.11Å; F72-R76 HydrophobicContact CZ-CB 4.4Å; F72-R76 PolarHBondContact O-N 2.93Å; F72-L309 HydrophobicContact CE1-CD1 4.2Å; F72-P334 HydrophobicContact CE1-CG 4.19Å; F72-P334 HydrophobicContact CE2-CG 3.98Å; F72-P334 HydrophobicContact CZ-CG 3.37Å |
| 73 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.1 | -39.9 | 177.9 | -65.6 | 175.3 | 0 | 0 | 0 | 111 | L69 G70 R76 Y77 M111 F277 L309 | L69-L73 HydrophobicContact CG-CD1 4.45Å; L69-L73 WeakPolarHBondContact O-CG 3.41Å; L69-L73 PolarHBondContact O-N 3.1Å; G70-L73 PolarHBondContact O-N 2.7Å; L73-R76 PolarHBondContact O-N 2.75Å; L73-Y77 HydrophobicContact CB-CD2 4.37Å; L73-Y77 HydrophobicContact CD2-CD2 4.29Å; L73-Y77 HydrophobicContact CD2-CE2 3.81Å; L73-Y77 WeakPolarHBondContact O-CB 3.3Å; L73-Y77 WeakPolarHBondContact O-CD2 3.49Å; L73-Y77 PolarHBondContact O-N 3.32Å; L73-M111 HydrophobicContact CB-CE 4.35Å; L73-M111 HydrophobicContact CB-CG 4.44Å; L73-M111 HydrophobicContact CB-SD 4.14Å; L73-M111 HydrophobicContact CD1-SD 4.39Å; L73-F277 HydrophobicContact CD2-CZ 4.37Å; L73-L309 HydrophobicContact CD2-CD2 3.85Å |
| 74 | R | 96.7 | Very high | 96.1 | Very high | 50 Ų | 50 | 56 Ų | 56 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 174.8 | 177.7 | 53.1 | 177.5 | -158.8 | -12.8 | 112.7 | G70 F72 R76 G78 S82 E83 M111 | G70-R74 PolarHBondContact O-N 3.26Å; F72-R74 VanDerWaalsContact C-N 3.26Å; F72-R74 PolarHBondContact O-N 3.12Å; R74-R76 VanDerWaalsContact C-N 3.35Å; R74-G78 VanDerWaalsContact O-CA 3.25Å; R74-G78 WeakPolarHBondContact O-CA 3.49Å; R74-G78 PolarHBondContact O-N 3.46Å; R74-S82 PolarHBondContact NH1-O 3.22Å; R74-E83 VanDerWaalsContact CZ-O 3.31Å; R74-E83 PolarHBondContact NH1-O 2.98Å; R74-E83 VanDerWaalsContact NH2-CA 3.25Å; R74-E83 VanDerWaalsContact NH2-CG 3.32Å; R74-E83 PolarHBondContact NH2-O 2.92Å; R74-M111 HydrophobicContact CB-CG 4.26Å; R74-M111 WeakPolarHBondContact CB-O 3.19Å; R74-M111 VanDerWaalsContact CD-O 3.31Å; R74-M111 WeakPolarHBondContact CD-O 3.18Å; R74-M111 WeakPolarHBondContact CG-O 3.26Å |
| 75 | R | 96.6 | Very high | 95.8 | Very high | 187 Ų | 187 | 53.6 Ų | 53.6 | 71% | 0.706 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.3 | -42.4 | 176.5 | -73.9 | -172.5 | -61.4 | -84.3 | 4.2 | 111.6 | G71 F72 | G71-R75 WeakPolarHBondContact O-CG 3.35Å; G71-R75 PolarHBondContact O-N 2.9Å; G71-R75 PolarHBondContact O-NH1 3.37Å; F72-R75 PolarHBondContact O-N 3.46Å; F72-R75 VanDerWaalsContact O-N 3.11Å |
| 76 | R | 97.1 | Very high | 95.5 | Very high | 81 Ų | 81 | 54.1 Ų | 54.1 | 31% | 0.306 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -69.5 | -38.4 | -178 | -172.6 | 169.8 | -179.8 | 90.7 | 1.9 | 113.1 | F72 L73 R74 E311 H325 | F72-R76 HydrophobicContact CZ-CB 4.4Å; F72-R76 PolarHBondContact O-N 2.93Å; L73-R76 PolarHBondContact O-N 2.75Å; R74-R76 VanDerWaalsContact C-N 3.35Å; R76-E311 IonicContact CZ-OE1 3.38Å; R76-E311 VanDerWaalsContact CZ-OE1 3.23Å; R76-E311 IonicContact CZ-OE2 3.48Å; R76-E311 IonicContact NE-OE1 3.3Å; R76-E311 PolarHBondContact NE-OE1 3.43Å; R76-E311 VanDerWaalsContact NH2-CD 3.27Å; R76-E311 IonicContact NH2-OE1 2.74Å; R76-E311 PolarHBondContact NH2-OE1 3.21Å; R76-E311 IonicContact NH2-OE2 2.82Å; R76-E311 PolarHBondContact NH2-OE2 2.82Å; R76-H325 PolarHBondContact NH2-CD2 3.45Å; R76-H325 PolarHBondContact NH2-NE2 3.18Å; R76-H325 VanDerWaalsContact NH2-NE2 3.2Å |
| 77 | Y | 97.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -115.8 | 13.6 | -171.2 | -54.2 | -67.6 | 0 | 0 | 0 | 114.3 | L23 V26 L73 N79 F80 L81 F277 L309 E311 | L23-Y77 HydrophobicContact CD2-CD1 3.89Å; L23-Y77 HydrophobicContact CD2-CE1 4.1Å; V26-Y77 HydrophobicContact CG1-CE1 4.09Å; V26-Y77 HydrophobicContact CG1-CE2 4.12Å; V26-Y77 HydrophobicContact CG2-CD1 3.94Å; V26-Y77 HydrophobicContact CG2-CE1 3.64Å; L73-Y77 HydrophobicContact CB-CD2 4.37Å; L73-Y77 HydrophobicContact CD2-CD2 4.29Å; L73-Y77 HydrophobicContact CD2-CE2 3.81Å; L73-Y77 WeakPolarHBondContact O-CB 3.3Å; L73-Y77 WeakPolarHBondContact O-CD2 3.49Å; L73-Y77 PolarHBondContact O-N 3.32Å; Y77-N79 VanDerWaalsContact C-N 3.27Å; Y77-N79 PolarHBondContact O-N 3.16Å; Y77-F80 WeakPolarHBondContact O-CB 3.4Å; Y77-F80 PolarHBondContact O-N 2.72Å; Y77-L81 PolarHBondContact O-N 3.4Å; Y77-F277 HydrophobicContact CD2-CD2 4.43Å; Y77-F277 AromaticContact CD2-CE2 3.4Å; Y77-F277 HydrophobicContact CD2-CE2 3.4Å; Y77-F277 VanDerWaalsContact CD2-CE2 3.4Å; Y77-F277 HydrophobicContact CD2-CZ 4.08Å; Y77-F277 AromaticContact CE2-CE2 3.68Å; Y77-F277 HydrophobicContact CE2-CE2 3.68Å; Y77-F277 HydrophobicContact CE2-CZ 4.01Å; Y77-F277 HydrophobicContact CG-CD2 4.49Å; Y77-F277 AromaticContact CG-CE2 3.83Å; Y77-F277 HydrophobicContact CG-CE2 3.83Å; Y77-L309 HydrophobicContact CE2-CD2 4.41Å; Y77-E311 HydrophobicContact CE1-CG 4.3Å; Y77-E311 WeakPolarHBondContact CE1-OE1 3.34Å; Y77-E311 PolarHBondContact OH-OE1 3.48Å |
| 78 | G | 93.6 | Very high | 95 | Very high | 24 Ų | 24 | 58.8 Ų | 58.8 | 25% | 0.247 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -29 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R74 F80 L81 | R74-G78 VanDerWaalsContact O-CA 3.25Å; R74-G78 WeakPolarHBondContact O-CA 3.49Å; R74-G78 PolarHBondContact O-N 3.46Å; G78-F80 VanDerWaalsContact C-N 3.35Å; G78-L81 VanDerWaalsContact O-O 3.09Å |
| 79 | N | 93.6 | Very high | 94.9 | Very high | 179 Ų | 179 | 56.2 Ų | 56.2 | 96% | 0.957 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -12.5 | 174.8 | -65.6 | -20.1 | 0 | 0 | 0 | 113 | Y77 | Y77-N79 VanDerWaalsContact C-N 3.27Å; Y77-N79 PolarHBondContact O-N 3.16Å |
| 80 | F | 94.7 | Very high | 94.8 | Very high | 30 Ų | 30 | 56.6 Ų | 56.6 | 13% | 0.132 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -38.2 | -177.1 | 174.8 | -120 | 0 | 0 | 0 | 112.1 | L23 K24 V26 Y77 G78 K276 | L23-F80 HydrophobicContact CB-CD2 4.24Å; L23-F80 HydrophobicContact CB-CE2 4.41Å; L23-F80 HydrophobicContact CD2-CB 4.09Å; L23-F80 HydrophobicContact CD2-CD1 3.79Å; L23-F80 HydrophobicContact CD2-CD2 4.03Å; L23-F80 HydrophobicContact CD2-CE1 4.19Å; L23-F80 HydrophobicContact CD2-CE2 4.43Å; L23-F80 HydrophobicContact CD2-CG 3.7Å; L23-F80 HydrophobicContact CG-CD1 4.35Å; L23-F80 HydrophobicContact CG-CD2 4.06Å; L23-F80 HydrophobicContact CG-CE1 4.33Å; L23-F80 HydrophobicContact CG-CE2 4.06Å; L23-F80 HydrophobicContact CG-CG 4.22Å; L23-F80 HydrophobicContact CG-CZ 4.2Å; L23-F80 WeakPolarHBondContact O-CE2 3.04Å; K24-F80 WeakPolarHBondContact O-CZ 3.1Å; V26-F80 HydrophobicContact CG2-CD1 4.19Å; V26-F80 HydrophobicContact CG2-CE1 3.82Å; Y77-F80 WeakPolarHBondContact O-CB 3.4Å; Y77-F80 PolarHBondContact O-N 2.72Å; G78-F80 VanDerWaalsContact C-N 3.35Å; F80-K276 HydrophobicContact CE1-CB 3.71Å; F80-K276 HydrophobicContact CE1-CD 4.47Å; F80-K276 HydrophobicContact CE1-CG 4.42Å; F80-K276 WeakPolarHBondContact CE1-O 3.15Å; F80-K276 HydrophobicContact CE2-CB 4.43Å; F80-K276 HydrophobicContact CE2-CD 4.13Å; F80-K276 HydrophobicContact CE2-CG 4.3Å; F80-K276 HydrophobicContact CZ-CB 3.59Å; F80-K276 HydrophobicContact CZ-CD 4.08Å; F80-K276 HydrophobicContact CZ-CG 3.9Å; F80-K276 WeakPolarHBondContact O-CD 3.2Å; F80-K276 PolarHBondContact O-NZ 2.75Å |
| 81 | L | 94.2 | Very high | 94.8 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.063 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -95.5 | 155.1 | 176.6 | -69.5 | 174.2 | 0 | 0 | 0 | 111.7 | Y77 G78 E89 M111 F112 K276 F277 | Y77-L81 PolarHBondContact O-N 3.4Å; G78-L81 VanDerWaalsContact O-O 3.09Å; L81-E89 HydrophobicContact CD2-CB 4.13Å; L81-M111 HydrophobicContact CD1-CE 3.23Å; L81-F112 HydrophobicContact CD1-CZ 4.32Å; L81-K276 HydrophobicContact CD2-CB 4.06Å; L81-K276 HydrophobicContact CD2-CD 4.4Å; L81-F277 HydrophobicContact CD1-CB 4.41Å; L81-F277 HydrophobicContact CD1-CD2 3.72Å; L81-F277 HydrophobicContact CD1-CE2 4.41Å; L81-F277 HydrophobicContact CD1-CG 4.31Å; L81-F277 HydrophobicContact CD2-CB 3.99Å; L81-F277 HydrophobicContact CG-CD2 4.36Å |
| 82 | S | 92.4 | Very high | 94.9 | Very high | 39 Ų | 39 | 59.9 Ų | 59.9 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | trans | -56.3 | 153.1 | 170.4 | -62 | 0 | 0 | 0 | 0 | 111.4 | R74 E84 E89 | R74-S82 PolarHBondContact NH1-O 3.22Å; S82-E84 WeakPolarHBondContact CB-O 3.37Å; S82-E84 PolarHBondContact O-N 3.49Å; S82-E89 WeakPolarHBondContact CB-OE2 3.42Å; S82-E89 PolarHBondContact N-OE2 3.33Å; S82-E89 PolarHBondContact OG-OE1 3.42Å; S82-E89 PolarHBondContact OG-OE2 2.99Å | ||
| 83 | E | 89.9 | Confident | 94.9 | Very high | 127 Ų | 127 | 60.3 Ų | 60.3 | 59% | 0.593 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -58.3 | -35.7 | 177 | -168.6 | 179 | 175.8 | 0 | 0 | 110.7 | R74 T115 | R74-E83 VanDerWaalsContact CZ-O 3.31Å; R74-E83 PolarHBondContact NH1-O 2.98Å; R74-E83 VanDerWaalsContact NH2-CA 3.25Å; R74-E83 VanDerWaalsContact NH2-CG 3.32Å; R74-E83 PolarHBondContact NH2-O 2.92Å; E83-T115 HydrophobicContact CG-CG2 4.07Å; E83-T115 WeakPolarHBondContact OE1-CG2 3.33Å |
| 84 | E | 89.3 | Confident | 94.9 | Very high | 67 Ų | 67 | 60.3 Ų | 60.3 | 31% | 0.313 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -104.9 | 165.2 | 177.5 | -49.3 | -147.8 | 108.3 | 0 | 0 | 112.8 | S82 N86 R117 P118 | S82-E84 WeakPolarHBondContact CB-O 3.37Å; S82-E84 PolarHBondContact O-N 3.49Å; E84-N86 PolarHBondContact O-N 3.47Å; E84-R117 VanDerWaalsContact OE1-C 3.3Å; E84-P118 WeakPolarHBondContact OE1-CD 3.47Å; E84-P118 WeakPolarHBondContact OE2-CD 3.46Å |
| 85 | Y | 92.1 | Very high | 95 | Very high | 75 Ų | 75 | 58 Ų | 58 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | trans | -59.8 | 122.3 | 168.7 | 168.2 | -108.2 | 0 | 0 | 0 | 110.7 | S87 L90 I130 P131 | Y85-S87 WeakPolarHBondContact OH-CA 3.46Å; Y85-S87 WeakPolarHBondContact OH-CB 3.27Å; Y85-L90 HydrophobicContact CD2-CB 4.36Å; Y85-L90 HydrophobicContact CD2-CD2 3.87Å; Y85-L90 HydrophobicContact CE2-CB 4.12Å; Y85-L90 HydrophobicContact CE2-CD2 3.98Å; Y85-L90 HydrophobicContact CE2-CG 4.49Å; Y85-I130 HydrophobicContact CD1-CG1 4.17Å; Y85-I130 HydrophobicContact CD2-CD1 4.02Å; Y85-I130 HydrophobicContact CD2-CG1 4.13Å; Y85-I130 HydrophobicContact CD2-CG2 3.84Å; Y85-I130 HydrophobicContact CE2-CG2 3.65Å; Y85-I130 HydrophobicContact CG-CD1 3.91Å; Y85-I130 HydrophobicContact CG-CG1 3.87Å; Y85-I130 HydrophobicContact CG-CG2 4.38Å; Y85-P131 WeakPolarHBondContact OH-CD 3.43Å; Y85-P131 WeakPolarHBondContact OH-CG 3.35Å | ||
| 86 | N | 92.3 | Very high | 95.1 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | trans | -117.1 | 117.1 | 171.8 | -176.5 | -18.1 | 0 | 0 | 0 | 108.7 | E84 K88 E89 L90 | E84-N86 PolarHBondContact O-N 3.47Å; N86-K88 PolarHBondContact O-N 3.49Å; N86-K88 VanDerWaalsContact O-N 3.08Å; N86-K88 WeakPolarHBondContact OD1-CB 3.18Å; N86-K88 PolarHBondContact OD1-N 3.21Å; N86-E89 HydrophobicContact CB-CB 4.15Å; N86-E89 HydrophobicContact CB-CG 3.95Å; N86-E89 PolarHBondContact O-N 3.49Å; N86-L90 PolarHBondContact O-N 3.1Å | ||
| 87 | S | 93.9 | Very high | 95.2 | Very high | 85 Ų | 85 | 50.2 Ų | 50.2 | 59% | 0.594 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15.1 | -179.1 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | Y85 | Y85-S87 WeakPolarHBondContact OH-CA 3.46Å; Y85-S87 WeakPolarHBondContact OH-CB 3.27Å |
| 88 | K | 93.6 | Very high | 95.3 | Very high | 119 Ų | 119 | 53.5 Ų | 53.5 | 52% | 0.517 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -18.2 | 174 | -55.4 | -170.7 | -176.4 | 179.3 | 0 | 113.2 | N86 T273 A274 L275 | N86-K88 PolarHBondContact O-N 3.49Å; N86-K88 VanDerWaalsContact O-N 3.08Å; N86-K88 WeakPolarHBondContact OD1-CB 3.18Å; N86-K88 PolarHBondContact OD1-N 3.21Å; K88-T273 VanDerWaalsContact CD-OG1 3.25Å; K88-T273 WeakPolarHBondContact CD-OG1 3.35Å; K88-A274 CarbonylContact O-C 3.55Å; K88-L275 WeakPolarHBondContact O-CA 3.25Å; K88-L275 PolarHBondContact O-N 2.95Å; K88-L275 VanDerWaalsContact O-N 3.14Å |
| 89 | E | 94.9 | Very high | 95.5 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -27.5 | -175.5 | -65.4 | -172.5 | 150.4 | 0 | 0 | 113.2 | L81 S82 N86 K276 F277 | L81-E89 HydrophobicContact CD2-CB 4.13Å; S82-E89 WeakPolarHBondContact CB-OE2 3.42Å; S82-E89 PolarHBondContact N-OE2 3.33Å; S82-E89 PolarHBondContact OG-OE1 3.42Å; S82-E89 PolarHBondContact OG-OE2 2.99Å; N86-E89 HydrophobicContact CB-CB 4.15Å; N86-E89 HydrophobicContact CB-CG 3.95Å; N86-E89 PolarHBondContact O-N 3.49Å; E89-K276 HydrophobicContact CB-CB 4.37Å; E89-K276 HydrophobicContact CB-CD 4.35Å; E89-K276 HydrophobicContact CB-CG 4.49Å; E89-K276 HydrophobicContact CG-CD 4.04Å; E89-K276 HydrophobicContact CG-CG 4.44Å; E89-K276 PolarHBondContact O-N 3.3Å; E89-K276 WeakPolarHBondContact OE1-CE 3.28Å; E89-K276 IonicContact OE1-NZ 3.47Å; E89-K276 PolarHBondContact OE1-NZ 3.32Å; E89-F277 PolarHBondContact O-N 3.11Å |
| 90 | L | 97 | Very high | 95.8 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.2 | -173.3 | -179.5 | 72.6 | 0 | 0 | 0 | 112 | Y85 N86 V92 L108 F112 I130 F277 I279 | Y85-L90 HydrophobicContact CD2-CB 4.36Å; Y85-L90 HydrophobicContact CD2-CD2 3.87Å; Y85-L90 HydrophobicContact CE2-CB 4.12Å; Y85-L90 HydrophobicContact CE2-CD2 3.98Å; Y85-L90 HydrophobicContact CE2-CG 4.49Å; N86-L90 PolarHBondContact O-N 3.1Å; L90-V92 HydrophobicContact CD1-CG2 4.27Å; L90-V92 HydrophobicContact CD2-CG2 3.99Å; L90-V92 HydrophobicContact CG-CG2 3.92Å; L90-L108 HydrophobicContact CD2-CD2 3.76Å; L90-F112 HydrophobicContact CD2-CD2 4.38Å; L90-F112 HydrophobicContact CD2-CE2 3.44Å; L90-F112 VanDerWaalsContact CD2-CE2 3.44Å; L90-F112 HydrophobicContact CD2-CZ 3.88Å; L90-I130 HydrophobicContact CD2-CG2 4.39Å; L90-F277 WeakPolarHBondContact CA-O 3.45Å; L90-F277 HydrophobicContact CD1-CB 3.89Å; L90-F277 HydrophobicContact CD1-CD1 3.91Å; L90-F277 HydrophobicContact CD1-CG 4.08Å; L90-I279 HydrophobicContact CD1-CD1 3.99Å; L90-I279 HydrophobicContact CD1-CG1 4.18Å |
| 91 | Y | 98.3 | Very high | 96 | Very high | 81 Ų | 81 | 45.8 Ų | 45.8 | 32% | 0.318 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 138.4 | 166.9 | 177.8 | -101 | 0 | 0 | 0 | 110.4 | R93 H133 F277 I278 I279 | Y91-R93 HydrophobicContact CE1-CB 3.82Å; Y91-H133 AromaticContact CD2-CD2 3.73Å; Y91-H133 HydrophobicContact CE2-CB 4.19Å; Y91-H133 AromaticContact CE2-CD2 3.24Å; Y91-H133 WeakPolarHBondContact CE2-CD2 3.39Å; Y91-H133 AromaticContact CE2-CG 3.72Å; Y91-H133 AromaticContact CE2-NE2 3.8Å; Y91-H133 AromaticContact CZ-CD2 3.98Å; Y91-F277 PolarHBondContact N-O 3.44Å; Y91-I278 HydrophobicContact CD1-CG1 4.46Å; Y91-I278 HydrophobicContact CD1-CG2 4.18Å; Y91-I278 CarbonylContact O-C 3.56Å; Y91-I278 WeakPolarHBondContact O-CA 3.44Å; Y91-I279 PolarHBondContact O-N 3.31Å |
| 92 | V | 98.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 124.3 | -177.6 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | L90 A104 L108 V132 H133 I279 | L90-V92 HydrophobicContact CD1-CG2 4.27Å; L90-V92 HydrophobicContact CD2-CG2 3.99Å; L90-V92 HydrophobicContact CG-CG2 3.92Å; V92-A104 HydrophobicContact CG1-CB 4.2Å; V92-L108 HydrophobicContact CG1-CD1 4.28Å; V92-L108 HydrophobicContact CG2-CD1 4.09Å; V92-L108 HydrophobicContact CG2-CD2 4Å; V92-V132 HydrophobicContact CG1-CG1 4.22Å; V92-V132 HydrophobicContact CG1-CG2 4.17Å; V92-H133 WeakPolarHBondContact O-CB 3.31Å; V92-H133 PolarHBondContact O-CD2 3.38Å; V92-H133 PolarHBondContact O-N 3.3Å; V92-I279 WeakPolarHBondContact CA-O 3.25Å; V92-I279 HydrophobicContact CB-CB 4.46Å; V92-I279 HydrophobicContact CG1-CB 4.03Å; V92-I279 HydrophobicContact CG1-CG2 4.04Å; V92-I279 HydrophobicContact CG2-CB 4.2Å; V92-I279 HydrophobicContact CG2-CD1 4.42Å |
| 93 | R | 98.8 | Very high | 96.5 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 9% | 0.087 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.3 | 173.3 | -178.1 | -179.4 | -171.8 | -93.5 | 6.7 | 110.3 | Y91 H133 D140 L143 I279 Y280 S281 | Y91-R93 HydrophobicContact CE1-CB 3.82Å; R93-H133 CarbonylContact C-O 3.54Å; R93-H133 VanDerWaalsContact CA-O 3.26Å; R93-H133 WeakPolarHBondContact CA-O 3.45Å; R93-D140 IonicContact CZ-OD1 3.64Å; R93-D140 IonicContact CZ-OD2 2.93Å; R93-D140 IonicContact NH1-OD1 3.52Å; R93-D140 PolarHBondContact NH1-OD1 3.4Å; R93-D140 VanDerWaalsContact NH1-OD1 3.09Å; R93-D140 IonicContact NH1-OD2 2.72Å; R93-D140 PolarHBondContact NH1-OD2 3.37Å; R93-D140 VanDerWaalsContact NH2-CG 3.34Å; R93-D140 IonicContact NH2-OD1 3.81Å; R93-D140 PolarHBondContact NH2-OD1 3.08Å; R93-D140 IonicContact NH2-OD2 3.16Å; R93-L143 HydrophobicContact CG-CD1 4.02Å; R93-I279 PolarHBondContact N-O 3.13Å; R93-Y280 HydrophobicContact CB-CD1 3.9Å; R93-Y280 HydrophobicContact CB-CE1 4.01Å; R93-Y280 CarbonylContact O-C 3.57Å; R93-Y280 VanDerWaalsContact O-CA 3.29Å; R93-Y280 WeakPolarHBondContact O-CA 3.47Å; R93-S281 PolarHBondContact O-N 3.27Å |
| 94 | S | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 152.8 | 177.1 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | T100 L101 H133 T134 S281 | S94-T100 VanDerWaalsContact OG-CB 3.29Å; S94-T100 WeakPolarHBondContact OG-CB 3.06Å; S94-T100 PolarHBondContact OG-O 3.23Å; S94-T100 PolarHBondContact OG-OG1 2.87Å; S94-L101 PolarHBondContact OG-N 3.06Å; S94-H133 PolarHBondContact N-O 3.19Å; S94-T134 WeakPolarHBondContact O-CB 3.45Å; S94-T134 PolarHBondContact O-OG1 2.65Å; S94-S281 VanDerWaalsContact CA-O 3.26Å; S94-S281 WeakPolarHBondContact CA-O 3.26Å; S94-S281 PolarHBondContact OG-O 3.48Å |
| 95 | T | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | trans | -64.1 | 152.3 | 160.4 | 53.5 | 0 | 0 | 0 | 0 | 110.3 | Y97 T100 L143 S281 A282 H283 | T95-Y97 PolarHBondContact O-N 3.18Å; T95-T100 PolarHBondContact O-OG1 3.29Å; T95-T100 WeakPolarHBondContact OG1-CB 3.46Å; T95-T100 VanDerWaalsContact OG1-CG2 3.31Å; T95-T100 WeakPolarHBondContact OG1-CG2 3.46Å; T95-T100 PolarHBondContact OG1-OG1 2.82Å; T95-L143 HydrophobicContact CG2-CB 3.52Å; T95-L143 HydrophobicContact CG2-CD1 4.43Å; T95-S281 PolarHBondContact N-O 3.43Å; T95-A282 HydrophobicContact CG2-CB 4.28Å; T95-H283 PolarHBondContact OG1-NE2 3.1Å | ||
| 96 | D | 98.6 | Very high | 97.7 | Very high | 53 Ų | 53 | 39 Ų | 39 | 28% | 0.283 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -78.1 | 54.9 | -177.5 | -178 | 31.4 | 0 | 0 | 0 | 112.9 | T134 V135 R137 | D96-T134 WeakPolarHBondContact CA-OG1 3.35Å; D96-T134 HydrophobicContact CB-CG2 4.36Å; D96-T134 WeakPolarHBondContact CB-OG1 3.47Å; D96-T134 PolarHBondContact N-OG1 3.14Å; D96-V135 VanDerWaalsContact CB-O 3.27Å; D96-V135 WeakPolarHBondContact CB-O 3.36Å; D96-R137 HydrophobicContact CB-CG 3.92Å; D96-R137 WeakPolarHBondContact O-CG 3.46Å; D96-R137 VanDerWaalsContact O-CZ 3.32Å; D96-R137 PolarHBondContact O-NE 3.46Å; D96-R137 PolarHBondContact O-NH2 2.98Å |
| 97 | Y | 98.6 | Very high | 98 | Very high | 52 Ų | 52 | 36.4 Ų | 36.4 | 20% | 0.204 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -123.1 | 138.9 | 171.6 | -69.1 | -94.6 | 0 | 0 | 0 | 109.3 | T95 R99 T100 L101 R137 H283 | T95-Y97 PolarHBondContact O-N 3.18Å; Y97-R99 VanDerWaalsContact C-N 3.25Å; Y97-R99 PolarHBondContact O-N 3.19Å; Y97-T100 PolarHBondContact O-N 3.04Å; Y97-T100 PolarHBondContact O-OG1 2.94Å; Y97-L101 PolarHBondContact O-N 3.28Å; Y97-R137 HydrophobicContact CE2-CG 4.11Å; Y97-H283 AromaticContact CD2-CE1 3.54Å; Y97-H283 AromaticContact CD2-NE2 3.42Å; Y97-H283 WeakPolarHBondContact CD2-NE2 3.26Å; Y97-H283 AromaticContact CE2-CE1 3.96Å; Y97-H283 AromaticContact CE2-NE2 3.53Å |
| 98 | D | 98.8 | Very high | 98.2 | Very high | 73 Ų | 73 | 32.7 Ų | 32.7 | 39% | 0.39 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -49.7 | -49.5 | -179.5 | -53.9 | -2.7 | 0 | 0 | 0 | 110.8 | Q57 T100 L101 M102 | Q57-D98 PolarHBondContact NE2-OD2 3.46Å; Q57-D98 PolarHBondContact OE1-OD2 3.14Å; D98-T100 VanDerWaalsContact C-N 3.29Å; D98-T100 PolarHBondContact O-N 3.1Å; D98-L101 PolarHBondContact O-N 2.79Å; D98-M102 HydrophobicContact CB-SD 4.26Å; D98-M102 VanDerWaalsContact O-CB 3.28Å; D98-M102 WeakPolarHBondContact O-CB 3.49Å; D98-M102 WeakPolarHBondContact O-CG 3.02Å; D98-M102 PolarHBondContact O-N 3.2Å |
| 99 | R | 98.8 | Very high | 98.4 | Very high | 32 Ų | 32 | 28.1 Ų | 28.1 | 12% | 0.121 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.3 | -32 | 179.1 | 66.5 | 178.2 | 175.3 | -75.1 | -10 | 115.2 | H32 G56 L58 Y97 S103 | H32-R99 HydrophobicContact CB-CG 4.4Å; H32-R99 WeakPolarHBondContact NE2-CD 3.31Å; H32-R99 PolarHBondContact NE2-NE 3.06Å; G56-R99 WeakPolarHBondContact O-CD 3.35Å; G56-R99 PolarHBondContact O-NH1 3.2Å; G56-R99 VanDerWaalsContact O-NH1 3.14Å; L58-R99 HydrophobicContact CB-CB 4.06Å; L58-R99 HydrophobicContact CD1-CB 4.42Å; Y97-R99 VanDerWaalsContact C-N 3.25Å; Y97-R99 PolarHBondContact O-N 3.19Å; R99-S103 WeakPolarHBondContact O-CB 3.29Å; R99-S103 PolarHBondContact O-N 2.98Å; R99-S103 VanDerWaalsContact O-N 3.16Å; R99-S103 PolarHBondContact O-OG 3.35Å |
| 100 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -84.5 | -38.9 | 178.6 | 49.3 | 0 | 0 | 0 | 0 | 111.1 | H32 S94 T95 Y97 D98 S103 A104 S281 A282 | H32-T100 HydrophobicContact CB-CG2 3.97Å; S94-T100 VanDerWaalsContact OG-CB 3.29Å; S94-T100 WeakPolarHBondContact OG-CB 3.06Å; S94-T100 PolarHBondContact OG-O 3.23Å; S94-T100 PolarHBondContact OG-OG1 2.87Å; T95-T100 PolarHBondContact O-OG1 3.29Å; T95-T100 WeakPolarHBondContact OG1-CB 3.46Å; T95-T100 VanDerWaalsContact OG1-CG2 3.31Å; T95-T100 WeakPolarHBondContact OG1-CG2 3.46Å; T95-T100 PolarHBondContact OG1-OG1 2.82Å; Y97-T100 PolarHBondContact O-N 3.04Å; Y97-T100 PolarHBondContact O-OG1 2.94Å; D98-T100 VanDerWaalsContact C-N 3.29Å; D98-T100 PolarHBondContact O-N 3.1Å; T100-S103 PolarHBondContact O-N 2.77Å; T100-A104 PolarHBondContact O-N 3.47Å; T100-S281 PolarHBondContact O-OG 2.74Å; T100-A282 WeakPolarHBondContact CG2-O 3.35Å |
| 101 | L | 98.9 | Very high | 98.4 | Very high | 38 Ų | 38 | 27.1 Ų | 27.1 | 20% | 0.199 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.5 | -49.5 | 173.6 | -71 | 166.6 | 0 | 0 | 0 | 111.4 | S94 Y97 D98 S103 A104 Q105 V132 T134 | S94-L101 PolarHBondContact OG-N 3.06Å; Y97-L101 PolarHBondContact O-N 3.28Å; D98-L101 PolarHBondContact O-N 2.79Å; L101-S103 VanDerWaalsContact C-N 3.34Å; L101-S103 PolarHBondContact O-N 2.84Å; L101-A104 WeakPolarHBondContact O-CB 3.43Å; L101-A104 PolarHBondContact O-N 2.85Å; L101-Q105 WeakPolarHBondContact O-CG 3.47Å; L101-Q105 PolarHBondContact O-N 2.5Å; L101-V132 HydrophobicContact CD2-CG1 3.84Å; L101-T134 HydrophobicContact CD2-CG2 4.46Å |
| 102 | M | 98.9 | Very high | 98.1 | Very high | 62 Ų | 62 | 24.1 Ų | 24.1 | 31% | 0.305 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -64.8 | -37.3 | 177.2 | -66.4 | 168.7 | 68.7 | 0 | 0 | 111.8 | L58 M63 D98 A104 Q105 A106 | L58-M102 HydrophobicContact CB-CE 4.37Å; L58-M102 HydrophobicContact CD2-CB 3.67Å; M63-M102 HydrophobicContact CE-CE 3.53Å; D98-M102 HydrophobicContact CB-SD 4.26Å; D98-M102 VanDerWaalsContact O-CB 3.28Å; D98-M102 WeakPolarHBondContact O-CB 3.49Å; D98-M102 WeakPolarHBondContact O-CG 3.02Å; D98-M102 PolarHBondContact O-N 3.2Å; M102-A104 PolarHBondContact O-N 3.27Å; M102-Q105 PolarHBondContact O-N 3.08Å; M102-A106 WeakPolarHBondContact O-CB 3.41Å; M102-A106 PolarHBondContact O-N 2.91Å |
| 103 | S | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.4 | -43.6 | 173.7 | -71.5 | 0 | 0 | 0 | 0 | 112 | H32 G33 L58 R99 T100 L101 Q105 A106 C107 | H32-S103 VanDerWaalsContact CA-OG 3.3Å; H32-S103 WeakPolarHBondContact CA-OG 3.25Å; H32-S103 VanDerWaalsContact CB-OG 3.26Å; H32-S103 WeakPolarHBondContact CB-OG 3.31Å; G33-S103 PolarHBondContact N-OG 3.45Å; L58-S103 WeakPolarHBondContact CD1-OG 3.34Å; R99-S103 WeakPolarHBondContact O-CB 3.29Å; R99-S103 PolarHBondContact O-N 2.98Å; R99-S103 VanDerWaalsContact O-N 3.16Å; R99-S103 PolarHBondContact O-OG 3.35Å; T100-S103 PolarHBondContact O-N 2.77Å; L101-S103 VanDerWaalsContact C-N 3.34Å; L101-S103 PolarHBondContact O-N 2.84Å; S103-Q105 VanDerWaalsContact C-N 3.35Å; S103-Q105 PolarHBondContact O-N 3.17Å; S103-A106 PolarHBondContact O-N 3.03Å; S103-C107 VanDerWaalsContact O-CB 3.31Å; S103-C107 WeakPolarHBondContact O-CB 3.42Å; S103-C107 PolarHBondContact O-N 3.35Å |
| 104 | A | 98.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | V92 T100 L101 M102 C107 L108 V132 | V92-A104 HydrophobicContact CG1-CB 4.2Å; T100-A104 PolarHBondContact O-N 3.47Å; L101-A104 WeakPolarHBondContact O-CB 3.43Å; L101-A104 PolarHBondContact O-N 2.85Å; M102-A104 PolarHBondContact O-N 3.27Å; A104-C107 PolarHBondContact O-N 2.81Å; A104-L108 WeakPolarHBondContact O-CB 3.42Å; A104-L108 WeakPolarHBondContact O-CD1 3.32Å; A104-L108 WeakPolarHBondContact O-CG 3.48Å; A104-L108 PolarHBondContact O-N 3.4Å; A104-V132 HydrophobicContact CB-CG1 3.8Å; A104-V132 HydrophobicContact CB-CG2 3.85Å |
| 105 | Q | 98.8 | Very high | 95 | Very high | 99 Ų | 99 | 28.4 Ų | 28.4 | 46% | 0.463 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.8 | -44 | 177.6 | -70.1 | 173.1 | -21.7 | 0 | 0 | 112.5 | L101 M102 S103 L108 A109 V132 | L101-Q105 WeakPolarHBondContact O-CG 3.47Å; L101-Q105 PolarHBondContact O-N 2.5Å; M102-Q105 PolarHBondContact O-N 3.08Å; S103-Q105 VanDerWaalsContact C-N 3.35Å; S103-Q105 PolarHBondContact O-N 3.17Å; Q105-L108 PolarHBondContact O-N 2.95Å; Q105-A109 PolarHBondContact O-N 3.39Å; Q105-V132 HydrophobicContact CG-CG2 4.12Å |
| 106 | A | 98.6 | Very high | 93.3 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 12% | 0.124 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q66 F67 M102 S103 L108 A109 G110 | Q66-A106 HydrophobicContact CB-CB 3.83Å; F67-A106 WeakPolarHBondContact CA-O 3.43Å; M102-A106 WeakPolarHBondContact O-CB 3.41Å; M102-A106 PolarHBondContact O-N 2.91Å; S103-A106 PolarHBondContact O-N 3.03Å; A106-L108 PolarHBondContact O-N 2.61Å; A106-A109 WeakPolarHBondContact O-CB 3.43Å; A106-A109 PolarHBondContact O-N 3.14Å; A106-G110 PolarHBondContact O-N 3.25Å; A106-G110 VanDerWaalsContact O-N 3.15Å |
| 107 | C | 98.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.8 | -44.9 | 173.3 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | F30 Q66 G70 S103 A104 A109 G110 M111 | F30-C107 HydrophobicContact CE1-CB 4.31Å; F30-C107 HydrophobicContact CZ-CB 4.05Å; Q66-C107 HydrophobicContact CB-CB 4.42Å; Q66-C107 VanDerWaalsContact O-CA 3.23Å; Q66-C107 WeakPolarHBondContact O-CA 3.3Å; G70-C107 VanDerWaalsContact CA-O 3.22Å; G70-C107 WeakPolarHBondContact CA-O 3.19Å; G70-C107 VanDerWaalsContact CA-SG 3.58Å; S103-C107 VanDerWaalsContact O-CB 3.31Å; S103-C107 WeakPolarHBondContact O-CB 3.42Å; S103-C107 PolarHBondContact O-N 3.35Å; A104-C107 PolarHBondContact O-N 2.81Å; C107-A109 VanDerWaalsContact C-N 3.33Å; C107-A109 PolarHBondContact O-N 3.03Å; C107-G110 PolarHBondContact O-N 2.79Å; C107-M111 WeakPolarHBondContact O-CB 3.49Å; C107-M111 PolarHBondContact O-N 2.86Å |
| 108 | L | 98.3 | Very high | 90.6 | Very high | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65 | -36.1 | 177.9 | -72.6 | 167.1 | 0 | 0 | 0 | 112.8 | L90 V92 A104 Q105 A106 G110 M111 F112 I130 V132 I279 | L90-L108 HydrophobicContact CD2-CD2 3.76Å; V92-L108 HydrophobicContact CG1-CD1 4.28Å; V92-L108 HydrophobicContact CG2-CD1 4.09Å; V92-L108 HydrophobicContact CG2-CD2 4Å; A104-L108 WeakPolarHBondContact O-CB 3.42Å; A104-L108 WeakPolarHBondContact O-CD1 3.32Å; A104-L108 WeakPolarHBondContact O-CG 3.48Å; A104-L108 PolarHBondContact O-N 3.4Å; Q105-L108 PolarHBondContact O-N 2.95Å; A106-L108 PolarHBondContact O-N 2.61Å; L108-G110 VanDerWaalsContact C-N 3.3Å; L108-G110 PolarHBondContact O-N 3.01Å; L108-M111 PolarHBondContact O-N 3.39Å; L108-F112 HydrophobicContact CD2-CD2 4.25Å; L108-F112 HydrophobicContact CD2-CE2 4.23Å; L108-F112 PolarHBondContact O-N 2.98Å; L108-I130 HydrophobicContact CB-CD1 4.27Å; L108-I130 HydrophobicContact CD1-CB 3.98Å; L108-I130 HydrophobicContact CD1-CG2 3.77Å; L108-I130 HydrophobicContact CD2-CD1 4.28Å; L108-I130 HydrophobicContact CD2-CG2 4.04Å; L108-I130 HydrophobicContact CG-CG2 4.41Å; L108-V132 HydrophobicContact CD1-CG2 3.75Å; L108-I279 HydrophobicContact CD2-CD1 4.23Å |
| 109 | A | 96.5 | Very high | 89.6 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 19% | 0.19 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.4 | -37.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F67 Q105 A106 C107 | F67-A109 HydrophobicContact CD2-CB 4.06Å; F67-A109 HydrophobicContact CE2-CB 4.16Å; Q105-A109 PolarHBondContact O-N 3.39Å; A106-A109 WeakPolarHBondContact O-CB 3.43Å; A106-A109 PolarHBondContact O-N 3.14Å; C107-A109 VanDerWaalsContact C-N 3.33Å; C107-A109 PolarHBondContact O-N 3.03Å |
| 110 | G | 96.1 | Very high | 88.8 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 7% | 0.072 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -76.5 | -29.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F67 G71 A106 C107 L108 | F67-G110 VanDerWaalsContact CE2-CA 3.47Å; G71-G110 WeakPolarHBondContact CA-O 3.05Å; G71-G110 PolarHBondContact N-O 2.88Å; A106-G110 PolarHBondContact O-N 3.25Å; A106-G110 VanDerWaalsContact O-N 3.15Å; C107-G110 PolarHBondContact O-N 2.79Å; L108-G110 VanDerWaalsContact C-N 3.3Å; L108-G110 PolarHBondContact O-N 3.01Å |
| 111 | M | 95.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -81 | -36.6 | -177 | -168.9 | 175.1 | 175.4 | 0 | 0 | 113.2 | G70 L73 R74 L81 C107 L108 P113 F277 I279 | G70-M111 WeakPolarHBondContact O-CA 3.41Å; L73-M111 HydrophobicContact CB-CE 4.35Å; L73-M111 HydrophobicContact CB-CG 4.44Å; L73-M111 HydrophobicContact CB-SD 4.14Å; L73-M111 HydrophobicContact CD1-SD 4.39Å; R74-M111 HydrophobicContact CB-CG 4.26Å; R74-M111 WeakPolarHBondContact CB-O 3.19Å; R74-M111 VanDerWaalsContact CD-O 3.31Å; R74-M111 WeakPolarHBondContact CD-O 3.18Å; R74-M111 WeakPolarHBondContact CG-O 3.26Å; L81-M111 HydrophobicContact CD1-CE 3.23Å; C107-M111 WeakPolarHBondContact O-CB 3.49Å; C107-M111 PolarHBondContact O-N 2.86Å; L108-M111 PolarHBondContact O-N 3.39Å; M111-P113 WeakPolarHBondContact O-CD 3.46Å; M111-F277 HydrophobicContact CE-CD2 4.26Å; M111-F277 HydrophobicContact CE-CE2 4.14Å; M111-F277 HydrophobicContact CE-CZ 4.47Å; M111-I279 HydrophobicContact SD-CD1 3.86Å |
| 112 | F | 93.6 | Very high | 87.5 | Confident | 18 Ų | 18 | 54.6 Ų | 54.6 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -124.6 | 64.1 | -179.9 | -61.3 | -82.2 | 0 | 0 | 0 | 111.3 | L81 L90 L108 I130 | L81-F112 HydrophobicContact CD1-CZ 4.32Å; L90-F112 HydrophobicContact CD2-CD2 4.38Å; L90-F112 HydrophobicContact CD2-CE2 3.44Å; L90-F112 VanDerWaalsContact CD2-CE2 3.44Å; L90-F112 HydrophobicContact CD2-CZ 3.88Å; L108-F112 HydrophobicContact CD2-CD2 4.25Å; L108-F112 HydrophobicContact CD2-CE2 4.23Å; L108-F112 PolarHBondContact O-N 2.98Å; F112-I130 HydrophobicContact CB-CD1 3.9Å; F112-I130 HydrophobicContact CD2-CD1 3.64Å; F112-I130 HydrophobicContact CE2-CD1 4.48Å; F112-I130 HydrophobicContact CG-CD1 3.97Å |
| 113 | P | 85.8 | Confident | 86.8 | Confident | 62 Ų | 62 | 57.3 Ų | 57.3 | 40% | 0.403 | 30% | 0.296 | S | S | . | . | trans | -61 | 132.6 | 170.5 | 28.4 | -33.3 | 0 | 0 | 0 | 108.1 | M111 T115 | M111-P113 WeakPolarHBondContact O-CD 3.46Å; P113-T115 PolarHBondContact O-N 3.29Å | ||
| 114 | P | 74.8 | Confident | 86.3 | Confident | 20 Ų | 20 | 64.5 Ų | 64.5 | 13% | 0.13 | 33% | 0.329 | C | S | . | . | trans | -61.7 | 126.3 | -180 | 0.5 | 4 | 0 | 0 | 0 | 109.5 | P120 L126 W127 | P114-P120 HydrophobicContact CB-CG 4.46Å; P114-L126 WeakPolarHBondContact CD-O 3.42Å; P114-L126 HydrophobicContact CG-CB 4.23Å; P114-L126 WeakPolarHBondContact CG-O 3.15Å; P114-W127 VanDerWaalsContact CG-N 3.28Å | ||
| 115 | T | 70.2 | Confident | 85.7 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | trans | -84.5 | -178.4 | 173.8 | 67.8 | 0 | 0 | 0 | 0 | 108.9 | E83 P113 R117 | E83-T115 HydrophobicContact CG-CG2 4.07Å; E83-T115 WeakPolarHBondContact OE1-CG2 3.33Å; P113-T115 PolarHBondContact O-N 3.29Å; T115-R117 PolarHBondContact O-N 3.35Å; T115-R117 VanDerWaalsContact O-N 3.12Å; T115-R117 PolarHBondContact OG1-O 3.06Å | ||
| 116 | R | 62.8 | Low | 85.2 | Confident | 231 Ų | 231 | 68.3 Ų | 68.3 | 87% | 0.872 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -65.8 | -11.9 | -179.8 | -70.2 | -175.2 | 177.6 | 179.2 | -0.2 | 113.1 | ||
| 117 | R | 69.8 | Low | 84.7 | Confident | 210 Ų | 210 | 72.4 Ų | 72.4 | 79% | 0.792 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -144.8 | 115.6 | -173.3 | -69.3 | -170.4 | 179.1 | -176.5 | 0.5 | 113.1 | E84 T115 | E84-R117 VanDerWaalsContact OE1-C 3.3Å; T115-R117 PolarHBondContact O-N 3.35Å; T115-R117 VanDerWaalsContact O-N 3.12Å; T115-R117 PolarHBondContact OG1-O 3.06Å |
| 118 | P | 71.7 | Confident | 84.2 | Confident | 55 Ų | 55 | 76.3 Ų | 76.3 | 36% | 0.357 | 38% | 0.379 | S | S | . | . | S | Bend | cis | -67.9 | 154.1 | -5 | 6.1 | 2.4 | 0 | 0 | 0 | 110.6 | E84 R128 | E84-P118 WeakPolarHBondContact OE1-CD 3.47Å; E84-P118 WeakPolarHBondContact OE2-CD 3.46Å; P118-R128 PolarHBondContact O-NH2 2.64Å |
| 119 | P | 76.4 | Confident | 83.9 | Confident | 89 Ų | 89 | 80 Ų | 80 | 58% | 0.578 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -48.7 | 150.9 | 176.4 | -26.7 | 34.2 | 0 | 0 | 0 | 112.2 | R128 | P119-R128 PolarHBondContact O-NH2 2.84Š|
| 120 | P | 81.8 | Confident | 83.9 | Confident | 35 Ų | 35 | 79.8 Ų | 79.8 | 23% | 0.227 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -50.5 | 148.9 | 170.4 | -25.7 | 34.1 | 0 | 0 | 0 | 111.5 | P114 M122 L126 | P114-P120 HydrophobicContact CB-CG 4.46Å; P120-M122 WeakPolarHBondContact CB-O 3.48Å; P120-M122 PolarHBondContact O-N 2.04Å; P120-L126 HydrophobicContact CB-CD2 4.23Å; P120-L126 HydrophobicContact CG-CD2 3.69Å |
| 121 | I | 84.1 | Confident | 84 | Confident | 99 Ų | 99 | 82.3 Ų | 82.3 | 51% | 0.508 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -55.9 | -39 | 177.3 | -61.3 | 172 | 0 | 0 | 0 | 110 | R128 | I121-R128 HydrophobicContact CD1-CG 4.08Å; I121-R128 HydrophobicContact CG1-CG 4.28Å |
| 122 | M | 86.7 | Confident | 84.2 | Confident | 80 Ų | 80 | 83.6 Ų | 83.6 | 39% | 0.394 | 42% | 0.422 | S | S | . | . | B | Isolated β-bridge | trans | -138.6 | 140.5 | 170 | -61.4 | -179.7 | -74.5 | 0 | 0 | 108.9 | P120 Q124 L125 | P120-M122 WeakPolarHBondContact CB-O 3.48Å; P120-M122 PolarHBondContact O-N 2.04Å; M122-Q124 PolarHBondContact O-N 2.94Å; M122-Q124 VanDerWaalsContact O-N 3.12Å; M122-L125 HydrophobicContact CB-CB 4.2Å; M122-L125 HydrophobicContact CE-CB 4.05Å; M122-L125 HydrophobicContact CE-CD2 3.5Å; M122-L125 VanDerWaalsContact CE-CD2 3.5Å; M122-L125 HydrophobicContact CE-CG 4.43Å; M122-L125 CarbonylContact O-C 3.47Å; M122-L125 PolarHBondContact O-N 2.73Å |
| 123 | P | 85.1 | Confident | 84.4 | Confident | 119 Ų | 119 | 86.8 Ų | 86.8 | 77% | 0.773 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -34.3 | -177 | -27.9 | 35.1 | 0 | 0 | 0 | 114.7 | ||
| 124 | Q | 88.1 | Confident | 85 | Confident | 150 Ų | 150 | 86.5 Ų | 86.5 | 70% | 0.701 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -8.8 | 179.1 | 71.6 | -80.8 | 16.8 | 0 | 0 | 114.2 | M122 | M122-Q124 PolarHBondContact O-N 2.94Å; M122-Q124 VanDerWaalsContact O-N 3.12Å |
| 125 | L | 86.6 | Confident | 86.1 | Confident | 64 Ų | 64 | 87.6 Ų | 87.6 | 34% | 0.335 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -118.6 | 92.4 | -177.9 | -175.1 | 62.3 | 0 | 0 | 0 | 109.9 | M122 W127 | M122-L125 HydrophobicContact CB-CB 4.2Å; M122-L125 HydrophobicContact CE-CB 4.05Å; M122-L125 HydrophobicContact CE-CD2 3.5Å; M122-L125 VanDerWaalsContact CE-CD2 3.5Å; M122-L125 HydrophobicContact CE-CG 4.43Å; M122-L125 CarbonylContact O-C 3.47Å; M122-L125 PolarHBondContact O-N 2.73Å; L125-W127 HydrophobicContact CD1-CB 4.01Å; L125-W127 HydrophobicContact CD2-CE3 4.1Å; L125-W127 HydrophobicContact CG-CB 4.14Å; L125-W127 PolarHBondContact O-N 3Å |
| 126 | L | 87.1 | Confident | 87.4 | Confident | 116 Ų | 116 | 89.1 Ų | 89.1 | 61% | 0.607 | 45% | 0.45 | S | S | * | . | trans | -80.1 | 57.4 | 174.8 | -58.8 | -177.3 | 0 | 0 | 0 | 111.2 | P114 P120 | P114-L126 WeakPolarHBondContact CD-O 3.42Å; P114-L126 HydrophobicContact CG-CB 4.23Å; P114-L126 WeakPolarHBondContact CG-O 3.15Å; P120-L126 HydrophobicContact CB-CD2 4.23Å; P120-L126 HydrophobicContact CG-CD2 3.69Å | ||
| 127 | W | 88.9 | Confident | 89 | Confident | 102 Ų | 102 | 83.1 Ų | 83.1 | 39% | 0.386 | 43% | 0.428 | S | S | . | . | trans | -148.4 | 151.7 | 179.8 | 171.7 | 88 | 0 | 0 | 0 | 111.3 | P114 L125 P129 | P114-W127 VanDerWaalsContact CG-N 3.28Å; L125-W127 HydrophobicContact CD1-CB 4.01Å; L125-W127 HydrophobicContact CD2-CE3 4.1Å; L125-W127 HydrophobicContact CG-CB 4.14Å; L125-W127 PolarHBondContact O-N 3Å; W127-P129 HydrophobicContact CH2-CB 3.57Å; W127-P129 HydrophobicContact CH2-CG 4.22Å; W127-P129 VanDerWaalsContact CZ2-CA 3.49Å; W127-P129 HydrophobicContact CZ2-CB 3.99Å; W127-P129 HydrophobicContact CZ3-CB 4.19Å; W127-P129 HydrophobicContact CZ3-CG 4.36Å | ||
| 128 | R | 87.9 | Confident | 90 | Very high | 82 Ų | 82 | 77.3 Ų | 77.3 | 31% | 0.309 | 43% | 0.425 | S | S | . | . | trans | -133.2 | 144.2 | 170.8 | -71.2 | 179.5 | 171 | -120.1 | -3.6 | 110.3 | P118 P119 I121 I130 | P118-R128 PolarHBondContact O-NH2 2.64Å; P119-R128 PolarHBondContact O-NH2 2.84Å; I121-R128 HydrophobicContact CD1-CG 4.08Å; I121-R128 HydrophobicContact CG1-CG 4.28Å; R128-I130 PolarHBondContact O-N 3.11Å | ||
| 129 | P | 92.4 | Very high | 91 | Very high | 82 Ų | 82 | 81 Ų | 81 | 53% | 0.532 | 44% | 0.437 | S | S | . | . | trans | -68.3 | 126.8 | 175 | 27.1 | -31.8 | 0 | 0 | 0 | 110.4 | W127 | W127-P129 HydrophobicContact CH2-CB 3.57Å; W127-P129 HydrophobicContact CH2-CG 4.22Å; W127-P129 VanDerWaalsContact CZ2-CA 3.49Å; W127-P129 HydrophobicContact CZ2-CB 3.99Å; W127-P129 HydrophobicContact CZ3-CB 4.19Å; W127-P129 HydrophobicContact CZ3-CG 4.36Å | ||
| 130 | I | 96.6 | Very high | 91.9 | Very high | 20 Ų | 20 | 77 Ų | 77 | 10% | 0.103 | 41% | 0.411 | C | S | . | . | trans | -120.3 | 130.3 | 171.2 | -63.6 | 174.5 | 0 | 0 | 0 | 107.1 | Y85 L90 L108 F112 R128 V132 | Y85-I130 HydrophobicContact CD1-CG1 4.17Å; Y85-I130 HydrophobicContact CD2-CD1 4.02Å; Y85-I130 HydrophobicContact CD2-CG1 4.13Å; Y85-I130 HydrophobicContact CD2-CG2 3.84Å; Y85-I130 HydrophobicContact CE2-CG2 3.65Å; Y85-I130 HydrophobicContact CG-CD1 3.91Å; Y85-I130 HydrophobicContact CG-CG1 3.87Å; Y85-I130 HydrophobicContact CG-CG2 4.38Å; L90-I130 HydrophobicContact CD2-CG2 4.39Å; L108-I130 HydrophobicContact CB-CD1 4.27Å; L108-I130 HydrophobicContact CD1-CB 3.98Å; L108-I130 HydrophobicContact CD1-CG2 3.77Å; L108-I130 HydrophobicContact CD2-CD1 4.28Å; L108-I130 HydrophobicContact CD2-CG2 4.04Å; L108-I130 HydrophobicContact CG-CG2 4.41Å; F112-I130 HydrophobicContact CB-CD1 3.9Å; F112-I130 HydrophobicContact CD2-CD1 3.64Å; F112-I130 HydrophobicContact CE2-CD1 4.48Å; F112-I130 HydrophobicContact CG-CD1 3.97Å; R128-I130 PolarHBondContact O-N 3.11Å; I130-V132 PolarHBondContact O-N 3.33Å | ||
| 131 | P | 98.4 | Very high | 92.5 | Very high | 59 Ų | 59 | 79.2 Ų | 79.2 | 38% | 0.383 | 42% | 0.417 | S | S | . | . | trans | -64.9 | 135.4 | -175.5 | 26.1 | -34.5 | 0 | 0 | 0 | 111.8 | Y85 | Y85-P131 WeakPolarHBondContact OH-CD 3.43Å; Y85-P131 WeakPolarHBondContact OH-CG 3.35Å | ||
| 132 | V | 98.8 | Very high | 93.1 | Very high | 29 Ų | 29 | 76.3 Ų | 76.3 | 18% | 0.176 | 40% | 0.402 | C | S | . | . | trans | -116.6 | 110.1 | 170.4 | 179.4 | 0 | 0 | 0 | 0 | 107.4 | V92 L101 A104 Q105 L108 I130 | V92-V132 HydrophobicContact CG1-CG1 4.22Å; V92-V132 HydrophobicContact CG1-CG2 4.17Å; L101-V132 HydrophobicContact CD2-CG1 3.84Å; A104-V132 HydrophobicContact CB-CG1 3.8Å; A104-V132 HydrophobicContact CB-CG2 3.85Å; Q105-V132 HydrophobicContact CG-CG2 4.12Å; L108-V132 HydrophobicContact CD1-CG2 3.75Å; I130-V132 PolarHBondContact O-N 3.33Å | ||
| 133 | H | 98.8 | Very high | 93.6 | Very high | 84 Ų | 84 | 72.6 Ų | 72.6 | 39% | 0.389 | 38% | 0.384 | S | S | . | . | B | Isolated β-bridge | trans | -81.3 | 148.6 | -178.7 | -59.6 | -82.7 | 0 | 0 | 0 | 110.7 | Y91 V92 R93 S94 | Y91-H133 AromaticContact CD2-CD2 3.73Å; Y91-H133 HydrophobicContact CE2-CB 4.19Å; Y91-H133 AromaticContact CE2-CD2 3.24Å; Y91-H133 WeakPolarHBondContact CE2-CD2 3.39Å; Y91-H133 AromaticContact CE2-CG 3.72Å; Y91-H133 AromaticContact CE2-NE2 3.8Å; Y91-H133 AromaticContact CZ-CD2 3.98Å; V92-H133 WeakPolarHBondContact O-CB 3.31Å; V92-H133 PolarHBondContact O-CD2 3.38Å; V92-H133 PolarHBondContact O-N 3.3Å; R93-H133 CarbonylContact C-O 3.54Å; R93-H133 VanDerWaalsContact CA-O 3.26Å; R93-H133 WeakPolarHBondContact CA-O 3.45Å; S94-H133 PolarHBondContact N-O 3.19Å |
| 134 | T | 98.8 | Very high | 94 | Very high | 56 Ų | 56 | 69.8 Ų | 69.8 | 34% | 0.344 | 36% | 0.359 | S | S | . | . | trans | -148.3 | 170.4 | 175.4 | -161.2 | 0 | 0 | 0 | 0 | 110.8 | S94 D96 L101 | S94-T134 WeakPolarHBondContact O-CB 3.45Å; S94-T134 PolarHBondContact O-OG1 2.65Å; D96-T134 WeakPolarHBondContact CA-OG1 3.35Å; D96-T134 HydrophobicContact CB-CG2 4.36Å; D96-T134 WeakPolarHBondContact CB-OG1 3.47Å; D96-T134 PolarHBondContact N-OG1 3.14Å; L101-T134 HydrophobicContact CD2-CG2 4.46Å | ||
| 135 | V | 98.1 | Very high | 93.9 | Very high | 44 Ų | 44 | 64 Ų | 64 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | trans | -132.9 | 151.4 | 169.6 | -55.7 | 0 | 0 | 0 | 0 | 108.2 | D96 R137 D140 | D96-V135 VanDerWaalsContact CB-O 3.27Å; D96-V135 WeakPolarHBondContact CB-O 3.36Å; V135-R137 PolarHBondContact O-N 3.24Å; V135-D140 HydrophobicContact CG2-CB 3.58Å | ||
| 136 | P | 97.4 | Very high | 93.9 | Very high | 65 Ų | 65 | 61.6 Ų | 61.6 | 42% | 0.422 | 32% | 0.324 | S | S | . | . | trans | -52.8 | 141.5 | -179.3 | -27.6 | 35.2 | 0 | 0 | 0 | 113 | A138 Q139 D140 | P136-A138 PolarHBondContact O-N 3.06Å; P136-Q139 HydrophobicContact CB-CG 4.45Å; P136-Q139 PolarHBondContact O-N 3.17Å; P136-D140 PolarHBondContact O-N 2.8Å | ||
| 137 | R | 94.6 | Very high | 93.6 | Very high | 105 Ų | 105 | 57.7 Ų | 57.7 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -30 | -176.8 | -60.8 | 178.6 | -173.8 | 166.3 | 6.5 | 115.4 | D96 Y97 V135 Q139 K144 | D96-R137 HydrophobicContact CB-CG 3.92Å; D96-R137 WeakPolarHBondContact O-CG 3.46Å; D96-R137 VanDerWaalsContact O-CZ 3.32Å; D96-R137 PolarHBondContact O-NE 3.46Å; D96-R137 PolarHBondContact O-NH2 2.98Å; Y97-R137 HydrophobicContact CE2-CG 4.11Å; V135-R137 PolarHBondContact O-N 3.24Å; R137-Q139 VanDerWaalsContact C-N 3.35Å; R137-K144 WeakPolarHBondContact O-CD 3.18Å; R137-K144 PolarHBondContact O-NZ 3.34Å |
| 138 | A | 91.9 | Very high | 93.2 | Very high | 88 Ų | 88 | 62.3 Ų | 62.3 | 73% | 0.727 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -16.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P136 | P136-A138 PolarHBondContact O-N 3.06Š|
| 139 | Q | 93.1 | Very high | 93.1 | Very high | 132 Ų | 132 | 61 Ų | 61 | 62% | 0.617 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | -11.4 | -176.1 | -60.1 | 174.1 | 11.8 | 0 | 0 | 112.3 | P136 R137 K141 | P136-Q139 HydrophobicContact CB-CG 4.45Å; P136-Q139 PolarHBondContact O-N 3.17Å; R137-Q139 VanDerWaalsContact C-N 3.35Å; Q139-K141 PolarHBondContact O-N 2.98Å |
| 140 | D | 95.5 | Very high | 93.2 | Very high | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.027 | 31% | 0.309 | C | S | . | . | trans | -73.5 | 99.9 | 179.2 | -160.7 | -11.5 | 0 | 0 | 0 | 111.5 | R93 V135 P136 L142 L143 K144 | R93-D140 IonicContact CZ-OD1 3.64Å; R93-D140 IonicContact CZ-OD2 2.93Å; R93-D140 IonicContact NH1-OD1 3.52Å; R93-D140 PolarHBondContact NH1-OD1 3.4Å; R93-D140 VanDerWaalsContact NH1-OD1 3.09Å; R93-D140 IonicContact NH1-OD2 2.72Å; R93-D140 PolarHBondContact NH1-OD2 3.37Å; R93-D140 VanDerWaalsContact NH2-CG 3.34Å; R93-D140 IonicContact NH2-OD1 3.81Å; R93-D140 PolarHBondContact NH2-OD1 3.08Å; R93-D140 IonicContact NH2-OD2 3.16Å; V135-D140 HydrophobicContact CG2-CB 3.58Å; P136-D140 PolarHBondContact O-N 2.8Å; D140-L142 PolarHBondContact OD1-N 3Å; D140-L143 PolarHBondContact OD1-N 3.24Å; D140-K144 HydrophobicContact CB-CB 4.2Å | ||
| 141 | K | 93.6 | Very high | 93.2 | Very high | 82 Ų | 82 | 59 Ų | 59 | 36% | 0.357 | 32% | 0.322 | S | S | . | . | trans | -94.7 | -5.9 | 172.9 | -60.6 | 173.7 | -178.7 | 175.2 | 0 | 112.9 | Q139 V252 W365 E366 | Q139-K141 PolarHBondContact O-N 2.98Å; K141-V252 WeakPolarHBondContact O-CG1 3.22Å; K141-W365 HydrophobicContact CD-CE3 3.9Å; K141-W365 HydrophobicContact CD-CH2 4.22Å; K141-W365 HydrophobicContact CD-CZ3 3.7Å; K141-W365 HydrophobicContact CG-CH2 4.19Å; K141-W365 HydrophobicContact CG-CZ3 4.19Å; K141-E366 IonicContact NZ-OE1 2.79Å; K141-E366 PolarHBondContact NZ-OE1 2.97Å | ||
| 142 | L | 96.7 | Very high | 93.1 | Very high | 38 Ų | 38 | 59.3 Ų | 59.3 | 20% | 0.199 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -98.6 | -50.1 | -170.5 | 177.5 | 64.7 | 0 | 0 | 0 | 112.4 | D140 V252 L253 A256 Y280 | D140-L142 PolarHBondContact OD1-N 3Å; L142-V252 HydrophobicContact CD1-CG1 4.24Å; L142-L253 HydrophobicContact CD1-CB 4.2Å; L142-L253 HydrophobicContact CD1-CD1 3.68Å; L142-L253 HydrophobicContact CG-CD1 4.02Å; L142-A256 HydrophobicContact CD1-CB 3.67Å; L142-Y280 HydrophobicContact CD2-CE1 4.2Å |
| 143 | L | 97.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -105.5 | -11.9 | -175.4 | -67.1 | 174.1 | 0 | 0 | 0 | 113.9 | R93 T95 D140 L253 Y280 A282 T286 | R93-L143 HydrophobicContact CG-CD1 4.02Å; T95-L143 HydrophobicContact CG2-CB 3.52Å; T95-L143 HydrophobicContact CG2-CD1 4.43Å; D140-L143 PolarHBondContact OD1-N 3.24Å; L143-L253 HydrophobicContact CD2-CD1 3.89Å; L143-L253 HydrophobicContact CD2-CD2 3.91Å; L143-Y280 HydrophobicContact CD1-CD1 3.88Å; L143-Y280 HydrophobicContact CD1-CG 4.48Å; L143-Y280 HydrophobicContact CD2-CD1 3.81Å; L143-Y280 HydrophobicContact CD2-CG 3.8Å; L143-Y280 HydrophobicContact CG-CD1 4.25Å; L143-A282 HydrophobicContact CB-CB 4.24Å; L143-A282 HydrophobicContact CD2-CB 4.4Å; L143-T286 HydrophobicContact CD2-CG2 4.21Å; L143-T286 WeakPolarHBondContact O-CG2 3.43Å; L143-T286 PolarHBondContact O-OG1 3.33Å |
| 144 | K | 94 | Very high | 92.7 | Very high | 60 Ų | 60 | 62.2 Ų | 62.2 | 26% | 0.261 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -103.3 | 129.6 | 179.1 | -175.4 | -170.3 | 170.7 | -156.8 | 0 | 109.5 | R137 D140 | R137-K144 WeakPolarHBondContact O-CD 3.18Å; R137-K144 PolarHBondContact O-NZ 3.34Å; D140-K144 HydrophobicContact CB-CB 4.2Å |
| 145 | S | 86.3 | Confident | 92.6 | Very high | 29 Ų | 29 | 61.2 Ų | 61.2 | 20% | 0.203 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 140.9 | 175.2 | -51 | 0 | 0 | 0 | 0 | 110.7 | S285 | S145-S285 WeakPolarHBondContact OG-CB 3.19Å; S145-S285 PolarHBondContact OG-O 2.92Å; S145-S285 PolarHBondContact OG-OG 3.41Å |
| 146 | P | 84.6 | Confident | 92.5 | Very high | 13 Ų | 13 | 59.1 Ų | 59.1 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -60 | 138.4 | -177 | 26.8 | -38.3 | 0 | 0 | 0 | 111.5 | C150 F153 L248 W365 | P146-C150 HydrophobicContact CB-CB 3.87Å; P146-F153 HydrophobicContact CB-CB 4.24Å; P146-F153 HydrophobicContact CB-CD1 4.04Å; P146-F153 HydrophobicContact CB-CG 4.05Å; P146-F153 HydrophobicContact CG-CB 4.17Å; P146-F153 HydrophobicContact CG-CD1 3.58Å; P146-F153 HydrophobicContact CG-CD2 3.66Å; P146-F153 HydrophobicContact CG-CE1 3.76Å; P146-F153 HydrophobicContact CG-CE2 3.83Å; P146-F153 HydrophobicContact CG-CG 3.52Å; P146-F153 HydrophobicContact CG-CZ 3.88Å; P146-L248 VanDerWaalsContact CG-O 3.29Å; P146-L248 WeakPolarHBondContact CG-O 3.41Å; P146-W365 HydrophobicContact CB-CZ2 4.44Å |
| 147 | G | 82.2 | Confident | 92.3 | Very high | 35 Ų | 35 | 57.7 Ų | 57.7 | 36% | 0.361 | 29% | 0.293 | S | S | . | . | trans | -119.7 | -121.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | D149 | G147-D149 VanDerWaalsContact C-OD1 3.23Å; G147-D149 VanDerWaalsContact CA-OD1 3.27Å; G147-D149 WeakPolarHBondContact CA-OD1 3.39Å; G147-D149 PolarHBondContact N-OD1 3.31Å; G147-D149 PolarHBondContact O-N 3.2Å | ||
| 148 | K | 80.1 | Confident | 92.3 | Very high | 198 Ų | 198 | 55.7 Ų | 55.7 | 86% | 0.861 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -17.3 | 179.4 | -66.6 | -177.6 | 178.8 | -180 | 0 | 113.1 | C150 | K148-C150 VanDerWaalsContact C-N 3.29Š|
| 149 | D | 86 | Confident | 92.5 | Very high | 56 Ų | 56 | 54.6 Ų | 54.6 | 30% | 0.299 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -13.7 | -178.8 | 52.9 | -46.2 | 0 | 0 | 0 | 113.7 | G147 | G147-D149 VanDerWaalsContact C-OD1 3.23Å; G147-D149 VanDerWaalsContact CA-OD1 3.27Å; G147-D149 WeakPolarHBondContact CA-OD1 3.39Å; G147-D149 PolarHBondContact N-OD1 3.31Å; G147-D149 PolarHBondContact O-N 3.2Å |
| 150 | C | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -121.2 | 94.4 | 174.4 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | P146 K148 R152 F153 R154 W365 C369 | P146-C150 HydrophobicContact CB-CB 3.87Å; K148-C150 VanDerWaalsContact C-N 3.29Å; C150-R152 VanDerWaalsContact C-N 3.29Å; C150-R152 PolarHBondContact O-N 3.24Å; C150-F153 HydrophobicContact CB-CB 3.88Å; C150-F153 PolarHBondContact O-N 2.87Å; C150-F153 VanDerWaalsContact SG-CB 3.52Å; C150-R154 PolarHBondContact O-N 2.86Å; C150-W365 HydrophobicContact CB-CH2 4.22Å; C150-W365 HydrophobicContact CB-CZ2 4.03Å; C150-C369 HydrophobicContact CB-CB 3.94Å; C150-C369 WeakPolarHBondContact CB-SG 3.24Å; C150-C369 VanDerWaalsContact SG-CA 3.51Å; C150-C369 WeakPolarHBondContact SG-CB 3.42Å; C150-C369 CovalentContact SG-SG 2.04Å; C150-C369 PolarHBondContact SG-SG 3.32Å | ||
| 151 | P | 95.7 | Very high | 92.4 | Very high | 59 Ų | 59 | 50.8 Ų | 50.8 | 38% | 0.383 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -53 | -42.1 | 179.6 | -29 | 34.3 | 0 | 0 | 0 | 114.1 | R154 A155 C369 | P151-R154 WeakPolarHBondContact O-CB 3.27Å; P151-R154 PolarHBondContact O-N 3.14Å; P151-A155 PolarHBondContact O-N 3.39Å; P151-C369 VanDerWaalsContact CD-O 3.26Å; P151-C369 WeakPolarHBondContact CD-O 3.26Å |
| 152 | R | 96.4 | Very high | 92.5 | Very high | 66 Ų | 66 | 53.5 Ų | 53.5 | 25% | 0.249 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | 179.7 | -175.6 | 60.2 | -175.8 | 140.3 | 9.6 | 112.3 | C150 R154 A155 L156 E159 E244 L248 E368 C369 | C150-R152 VanDerWaalsContact C-N 3.29Å; C150-R152 PolarHBondContact O-N 3.24Å; R152-R154 VanDerWaalsContact C-N 3.29Å; R152-R154 PolarHBondContact O-N 3.37Å; R152-A155 WeakPolarHBondContact O-CB 3.24Å; R152-A155 PolarHBondContact O-N 2.96Å; R152-A155 VanDerWaalsContact O-N 3.14Å; R152-L156 WeakPolarHBondContact O-CG 3.43Å; R152-L156 PolarHBondContact O-N 3.25Å; R152-E159 IonicContact NH1-OE1 3.68Å; R152-E159 PolarHBondContact NH1-OE1 2.85Å; R152-E159 VanDerWaalsContact NH1-OE1 3.1Å; R152-E244 IonicContact CZ-OE1 2.8Å; R152-E244 IonicContact NE-OE1 3.74Å; R152-E244 PolarHBondContact NE-OE1 2.69Å; R152-E244 VanDerWaalsContact NH2-CD 3.32Å; R152-E244 IonicContact NH2-OE1 2.72Å; R152-E244 PolarHBondContact NH2-OE1 3.26Å; R152-E244 IonicContact NH2-OE2 2.9Å; R152-E244 PolarHBondContact NH2-OE2 3.47Å; R152-E244 VanDerWaalsContact NH2-OE2 3.16Å; R152-L248 HydrophobicContact CB-CD1 3.99Å; R152-L248 HydrophobicContact CG-CD1 3.83Å; R152-E368 WeakPolarHBondContact CB-O 3.31Å; R152-C369 PolarHBondContact N-O 3.22Å |
| 153 | F | 95.6 | Very high | 92.4 | Very high | 14 Ų | 14 | 52.9 Ų | 52.9 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 176.2 | -171.8 | -95.9 | 0 | 0 | 0 | 111 | P146 C150 A155 L156 M157 I237 K245 L248 | P146-F153 HydrophobicContact CB-CB 4.24Å; P146-F153 HydrophobicContact CB-CD1 4.04Å; P146-F153 HydrophobicContact CB-CG 4.05Å; P146-F153 HydrophobicContact CG-CB 4.17Å; P146-F153 HydrophobicContact CG-CD1 3.58Å; P146-F153 HydrophobicContact CG-CD2 3.66Å; P146-F153 HydrophobicContact CG-CE1 3.76Å; P146-F153 HydrophobicContact CG-CE2 3.83Å; P146-F153 HydrophobicContact CG-CG 3.52Å; P146-F153 HydrophobicContact CG-CZ 3.88Å; C150-F153 HydrophobicContact CB-CB 3.88Å; C150-F153 PolarHBondContact O-N 2.87Å; C150-F153 VanDerWaalsContact SG-CB 3.52Å; F153-A155 VanDerWaalsContact C-N 3.33Å; F153-A155 PolarHBondContact O-N 3.43Å; F153-L156 WeakPolarHBondContact O-CB 3.3Å; F153-L156 PolarHBondContact O-N 2.74Å; F153-M157 HydrophobicContact CD1-CG 3.88Å; F153-M157 HydrophobicContact CE1-CG 3.61Å; F153-M157 HydrophobicContact CE1-SD 3.83Å; F153-M157 HydrophobicContact CZ-CG 4.18Å; F153-M157 HydrophobicContact CZ-SD 3.81Å; F153-M157 VanDerWaalsContact O-CG 3.3Å; F153-M157 WeakPolarHBondContact O-CG 3.47Å; F153-M157 PolarHBondContact O-N 3.03Å; F153-I237 HydrophobicContact CZ-CD1 4.39Å; F153-K245 HydrophobicContact CE2-CB 4.05Å; F153-K245 HydrophobicContact CE2-CG 4.28Å; F153-L248 HydrophobicContact CB-CB 4.32Å; F153-L248 HydrophobicContact CB-CD1 4Å; F153-L248 HydrophobicContact CD2-CB 3.97Å; F153-L248 HydrophobicContact CD2-CD1 4.46Å |
| 154 | R | 94.6 | Very high | 92.3 | Very high | 160 Ų | 160 | 55.9 Ų | 55.9 | 60% | 0.604 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.8 | -44.4 | 174.7 | -173 | -179.8 | 69.9 | 152.5 | 1.1 | 112.1 | C150 P151 R152 M157 T158 | C150-R154 PolarHBondContact O-N 2.86Å; P151-R154 WeakPolarHBondContact O-CB 3.27Å; P151-R154 PolarHBondContact O-N 3.14Å; R152-R154 VanDerWaalsContact C-N 3.29Å; R152-R154 PolarHBondContact O-N 3.37Å; R154-M157 PolarHBondContact O-N 2.84Å; R154-T158 PolarHBondContact O-N 3.42Å; R154-T158 PolarHBondContact O-OG1 2.83Å |
| 155 | A | 95.9 | Very high | 92.3 | Very high | 35 Ų | 35 | 56.8 Ų | 56.8 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P151 R152 F153 M157 T158 E159 | P151-A155 PolarHBondContact O-N 3.39Å; R152-A155 WeakPolarHBondContact O-CB 3.24Å; R152-A155 PolarHBondContact O-N 2.96Å; R152-A155 VanDerWaalsContact O-N 3.14Å; F153-A155 VanDerWaalsContact C-N 3.33Å; F153-A155 PolarHBondContact O-N 3.43Å; A155-M157 VanDerWaalsContact C-N 3.29Å; A155-M157 PolarHBondContact O-N 3.41Å; A155-T158 WeakPolarHBondContact O-CB 3.39Å; A155-T158 PolarHBondContact O-N 3.04Å; A155-T158 VanDerWaalsContact O-N 3.11Å; A155-E159 VanDerWaalsContact O-CG 3.31Å; A155-E159 WeakPolarHBondContact O-CG 3.44Å; A155-E159 PolarHBondContact O-N 3.17Å |
| 156 | L | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.8 | -39.9 | 175.8 | -68.9 | 171.8 | 0 | 0 | 0 | 112.4 | R152 F153 T160 K241 E244 K245 L248 | R152-L156 WeakPolarHBondContact O-CG 3.43Å; R152-L156 PolarHBondContact O-N 3.25Å; F153-L156 WeakPolarHBondContact O-CB 3.3Å; F153-L156 PolarHBondContact O-N 2.74Å; L156-T160 WeakPolarHBondContact O-CB 3.39Å; L156-T160 PolarHBondContact O-N 3.36Å; L156-T160 PolarHBondContact O-OG1 2.9Å; L156-K241 HydrophobicContact CD2-CB 4.05Å; L156-K241 HydrophobicContact CD2-CD 3.5Å; L156-K241 HydrophobicContact CD2-CG 4.39Å; L156-E244 HydrophobicContact CD1-CB 4.17Å; L156-E244 HydrophobicContact CD1-CG 3.93Å; L156-K245 HydrophobicContact CB-CG 4.12Å; L156-K245 HydrophobicContact CD1-CG 3.87Å; L156-L248 HydrophobicContact CD1-CD1 4Å |
| 157 | M | 94.4 | Very high | 93 | Very high | 34 Ų | 34 | 58.4 Ų | 58.4 | 17% | 0.167 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 175.5 | -62.5 | -57.7 | -68.3 | 0 | 0 | 111.7 | F153 R154 A155 T160 F161 | F153-M157 HydrophobicContact CD1-CG 3.88Å; F153-M157 HydrophobicContact CE1-CG 3.61Å; F153-M157 HydrophobicContact CE1-SD 3.83Å; F153-M157 HydrophobicContact CZ-CG 4.18Å; F153-M157 HydrophobicContact CZ-SD 3.81Å; F153-M157 VanDerWaalsContact O-CG 3.3Å; F153-M157 WeakPolarHBondContact O-CG 3.47Å; F153-M157 PolarHBondContact O-N 3.03Å; R154-M157 PolarHBondContact O-N 2.84Å; A155-M157 VanDerWaalsContact C-N 3.29Å; A155-M157 PolarHBondContact O-N 3.41Å; M157-T160 WeakPolarHBondContact O-CB 3.38Å; M157-T160 PolarHBondContact O-N 3.29Å; M157-F161 HydrophobicContact CB-CE2 4.38Å; M157-F161 HydrophobicContact CE-CE2 3.59Å; M157-F161 HydrophobicContact CE-CZ 3.88Å; M157-F161 WeakPolarHBondContact O-CD2 3.39Å; M157-F161 PolarHBondContact O-N 3.43Å |
| 158 | T | 94.1 | Very high | 93.5 | Very high | 63 Ų | 63 | 64.3 Ų | 64.3 | 39% | 0.387 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60 | -52.3 | 173.4 | -65.4 | 0 | 0 | 0 | 0 | 111.2 | R154 A155 T160 F161 E162 | R154-T158 PolarHBondContact O-N 3.42Å; R154-T158 PolarHBondContact O-OG1 2.83Å; A155-T158 WeakPolarHBondContact O-CB 3.39Å; A155-T158 PolarHBondContact O-N 3.04Å; A155-T158 VanDerWaalsContact O-N 3.11Å; T158-T160 PolarHBondContact O-N 3.08Å; T158-T160 VanDerWaalsContact O-N 3.17Å; T158-F161 PolarHBondContact O-N 2.84Å; T158-F161 VanDerWaalsContact O-N 3.15Å; T158-E162 VanDerWaalsContact CG2-CD 3.46Å; T158-E162 HydrophobicContact CG2-CG 4.23Å; T158-E162 VanDerWaalsContact CG2-OE1 3.31Å; T158-E162 WeakPolarHBondContact CG2-OE1 3.42Å; T158-E162 WeakPolarHBondContact O-CB 3.32Å; T158-E162 WeakPolarHBondContact O-CG 3.41Å; T158-E162 PolarHBondContact O-N 2.86Å |
| 159 | E | 95.9 | Very high | 94.1 | Very high | 65 Ų | 65 | 56.4 Ų | 56.4 | 30% | 0.304 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -54.7 | -37.7 | 177.2 | -67.2 | 167.9 | -148.1 | 0 | 0 | 111.5 | R152 A155 S163 H240 | R152-E159 IonicContact NH1-OE1 3.68Å; R152-E159 PolarHBondContact NH1-OE1 2.85Å; R152-E159 VanDerWaalsContact NH1-OE1 3.1Å; A155-E159 VanDerWaalsContact O-CG 3.31Å; A155-E159 WeakPolarHBondContact O-CG 3.44Å; A155-E159 PolarHBondContact O-N 3.17Å; E159-S163 PolarHBondContact O-N 2.86Å; E159-H240 VanDerWaalsContact CB-NE2 3.34Å; E159-H240 WeakPolarHBondContact CB-NE2 3.08Å; E159-H240 IonicContact OE2-CD2 3.36Å; E159-H240 IonicContact OE2-CE1 3.23Å; E159-H240 IonicContact OE2-NE2 3.28Å; E159-H240 PolarHBondContact OE2-NE2 3.33Å |
| 160 | T | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.1 | -49.8 | 178.3 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | L156 M157 T158 E162 S163 Y235 H240 K245 | L156-T160 WeakPolarHBondContact O-CB 3.39Å; L156-T160 PolarHBondContact O-N 3.36Å; L156-T160 PolarHBondContact O-OG1 2.9Å; M157-T160 WeakPolarHBondContact O-CB 3.38Å; M157-T160 PolarHBondContact O-N 3.29Å; T158-T160 PolarHBondContact O-N 3.08Å; T158-T160 VanDerWaalsContact O-N 3.17Å; T160-E162 VanDerWaalsContact C-N 3.3Å; T160-E162 PolarHBondContact O-N 2.8Å; T160-S163 VanDerWaalsContact O-CB 3.3Å; T160-S163 WeakPolarHBondContact O-CB 3.39Å; T160-S163 PolarHBondContact O-N 2.8Å; T160-S163 PolarHBondContact O-OG 3.19Å; T160-Y235 HydrophobicContact CG2-CD1 3.67Å; T160-Y235 HydrophobicContact CG2-CE1 3.61Å; T160-H240 HydrophobicContact CG2-CB 4.47Å; T160-K245 WeakPolarHBondContact OG1-CE 3.44Å; T160-K245 PolarHBondContact OG1-NZ 3.42Å |
| 161 | F | 92.3 | Very high | 94.2 | Very high | 58 Ų | 58 | 62 Ų | 62 | 25% | 0.254 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -77.9 | -14.8 | -177.7 | -64.1 | -53.4 | 0 | 0 | 0 | 113.1 | M157 T158 Y166 Q167 | M157-F161 HydrophobicContact CB-CE2 4.38Å; M157-F161 HydrophobicContact CE-CE2 3.59Å; M157-F161 HydrophobicContact CE-CZ 3.88Å; M157-F161 WeakPolarHBondContact O-CD2 3.39Å; M157-F161 PolarHBondContact O-N 3.43Å; T158-F161 PolarHBondContact O-N 2.84Å; T158-F161 VanDerWaalsContact O-N 3.15Å; F161-Y166 HydrophobicContact CB-CD1 4.19Å; F161-Y166 HydrophobicContact CB-CE1 3.97Å; F161-Y166 HydrophobicContact CD1-CD1 4.17Å; F161-Y166 AromaticContact CD1-CD2 3.96Å; F161-Y166 HydrophobicContact CD1-CD2 3.96Å; F161-Y166 AromaticContact CD1-CE1 3.7Å; F161-Y166 HydrophobicContact CD1-CE1 3.7Å; F161-Y166 AromaticContact CD1-CE2 3.53Å; F161-Y166 HydrophobicContact CD1-CE2 3.53Å; F161-Y166 HydrophobicContact CD1-CG 4.25Å; F161-Y166 AromaticContact CD1-CZ 3.37Å; F161-Y166 HydrophobicContact CE1-CD2 4.48Å; F161-Y166 AromaticContact CE1-CE2 3.85Å; F161-Y166 HydrophobicContact CE1-CE2 3.85Å; F161-Y166 AromaticContact CE1-CZ 3.93Å; F161-Y166 HydrophobicContact CG-CE1 4.27Å; F161-Y166 WeakPolarHBondContact O-CD1 3.28Å; F161-Q167 PolarHBondContact O-NE2 3.09Å |
| 162 | E | 93.8 | Very high | 94.1 | Very high | 139 Ų | 139 | 63.8 Ų | 63.8 | 65% | 0.65 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -88.5 | -10.6 | 170.9 | -70.5 | 177.3 | 173.9 | 0 | 0 | 112.8 | T158 T160 | T158-E162 VanDerWaalsContact CG2-CD 3.46Å; T158-E162 HydrophobicContact CG2-CG 4.23Å; T158-E162 VanDerWaalsContact CG2-OE1 3.31Å; T158-E162 WeakPolarHBondContact CG2-OE1 3.42Å; T158-E162 WeakPolarHBondContact O-CB 3.32Å; T158-E162 WeakPolarHBondContact O-CG 3.41Å; T158-E162 PolarHBondContact O-N 2.86Å; T160-E162 VanDerWaalsContact C-N 3.3Å; T160-E162 PolarHBondContact O-N 2.8Å |
| 163 | S | 94.8 | Very high | 94 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 17% | 0.168 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -62.9 | 143.9 | -177.1 | 74 | 0 | 0 | 0 | 0 | 113.2 | E159 T160 P165 Y166 Q167 Y235 | E159-S163 PolarHBondContact O-N 2.86Å; T160-S163 VanDerWaalsContact O-CB 3.3Å; T160-S163 WeakPolarHBondContact O-CB 3.39Å; T160-S163 PolarHBondContact O-N 2.8Å; T160-S163 PolarHBondContact O-OG 3.19Å; S163-P165 VanDerWaalsContact C-CD 3.43Å; S163-Y166 PolarHBondContact O-N 3.47Å; S163-Y166 VanDerWaalsContact O-N 3.14Å; S163-Q167 WeakPolarHBondContact O-CG 3.3Å; S163-Q167 PolarHBondContact O-N 3.05Å; S163-Y235 PolarHBondContact OG-OH 3.28Å |
| 164 | A | 95.3 | Very high | 93.9 | Very high | 66 Ų | 66 | 67 Ų | 67 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56 | -38.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R168 | A164-R168 WeakPolarHBondContact O-CB 3.38Å; A164-R168 PolarHBondContact O-N 2.98Å |
| 165 | P | 94.5 | Very high | 93.9 | Very high | 78 Ų | 78 | 62.4 Ų | 62.4 | 51% | 0.506 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 176.3 | -17.8 | 30.7 | 0 | 0 | 0 | 112.7 | S163 R168 F169 Y235 | S163-P165 VanDerWaalsContact C-CD 3.43Å; P165-R168 WeakPolarHBondContact O-CB 3.25Å; P165-R168 PolarHBondContact O-N 3.28Å; P165-F169 PolarHBondContact O-N 2.97Å; P165-Y235 WeakPolarHBondContact CB-OH 3.45Å |
| 166 | Y | 92.8 | Very high | 93.8 | Very high | 8 Ų | 8 | 61.7 Ų | 61.7 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 174.8 | -176.8 | -101.6 | 0 | 0 | 0 | 111.8 | F161 S163 R168 F169 L170 F231 E232 Y235 | F161-Y166 HydrophobicContact CB-CD1 4.19Å; F161-Y166 HydrophobicContact CB-CE1 3.97Å; F161-Y166 HydrophobicContact CD1-CD1 4.17Å; F161-Y166 AromaticContact CD1-CD2 3.96Å; F161-Y166 HydrophobicContact CD1-CD2 3.96Å; F161-Y166 AromaticContact CD1-CE1 3.7Å; F161-Y166 HydrophobicContact CD1-CE1 3.7Å; F161-Y166 AromaticContact CD1-CE2 3.53Å; F161-Y166 HydrophobicContact CD1-CE2 3.53Å; F161-Y166 HydrophobicContact CD1-CG 4.25Å; F161-Y166 AromaticContact CD1-CZ 3.37Å; F161-Y166 HydrophobicContact CE1-CD2 4.48Å; F161-Y166 AromaticContact CE1-CE2 3.85Å; F161-Y166 HydrophobicContact CE1-CE2 3.85Å; F161-Y166 AromaticContact CE1-CZ 3.93Å; F161-Y166 HydrophobicContact CG-CE1 4.27Å; F161-Y166 WeakPolarHBondContact O-CD1 3.28Å; S163-Y166 PolarHBondContact O-N 3.47Å; S163-Y166 VanDerWaalsContact O-N 3.14Å; Y166-R168 PolarHBondContact O-N 3.43Å; Y166-F169 WeakPolarHBondContact O-CB 3.41Å; Y166-F169 PolarHBondContact O-N 2.88Å; Y166-L170 HydrophobicContact CD1-CD1 3.98Å; Y166-L170 HydrophobicContact CD1-CG 4.18Å; Y166-L170 HydrophobicContact CE1-CD1 3.43Å; Y166-L170 VanDerWaalsContact CE1-CD1 3.43Å; Y166-L170 HydrophobicContact CE1-CD2 4.24Å; Y166-L170 HydrophobicContact CE1-CG 3.8Å; Y166-L170 PolarHBondContact O-N 3Å; Y166-F231 HydrophobicContact CD2-CE1 4.18Å; Y166-F231 HydrophobicContact CE2-CE1 4.41Å; Y166-E232 VanDerWaalsContact CE2-OE2 3.22Å; Y166-E232 WeakPolarHBondContact CE2-OE2 3.48Å; Y166-E232 PolarHBondContact OH-OE1 2.99Å; Y166-E232 PolarHBondContact OH-OE2 2.76Å; Y166-Y235 AromaticContact CD2-CD1 3.68Å; Y166-Y235 HydrophobicContact CD2-CD1 3.68Å; Y166-Y235 AromaticContact CD2-CE1 3.92Å; Y166-Y235 HydrophobicContact CD2-CE1 3.92Å; Y166-Y235 HydrophobicContact CD2-CG 4.32Å; Y166-Y235 HydrophobicContact CG-CD1 4.34Å; Y166-Y235 HydrophobicContact CG-CE1 4.14Å; Y166-Y235 PolarHBondContact N-OH 3.19Å |
| 167 | Q | 92.6 | Very high | 93.7 | Very high | 68 Ų | 68 | 62.2 Ų | 62.2 | 32% | 0.318 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.9 | -32.2 | 177.5 | -66.3 | -61.5 | -35.4 | 0 | 0 | 112.1 | F161 S163 R171 | F161-Q167 PolarHBondContact O-NE2 3.09Å; S163-Q167 WeakPolarHBondContact O-CG 3.3Å; S163-Q167 PolarHBondContact O-N 3.05Å; Q167-R171 WeakPolarHBondContact O-CG 3.3Å; Q167-R171 PolarHBondContact O-N 2.83Å; Q167-R171 VanDerWaalsContact O-N 3.15Å |
| 168 | R | 93.9 | Very high | 93.7 | Very high | 159 Ų | 159 | 64.4 Ų | 64.4 | 60% | 0.6 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.1 | -44.3 | 172.6 | -168.1 | -175.3 | -55 | -90.7 | -0.9 | 111.7 | A164 P165 Y166 L170 R171 T172 | A164-R168 WeakPolarHBondContact O-CB 3.38Å; A164-R168 PolarHBondContact O-N 2.98Å; P165-R168 WeakPolarHBondContact O-CB 3.25Å; P165-R168 PolarHBondContact O-N 3.28Å; Y166-R168 PolarHBondContact O-N 3.43Å; R168-L170 VanDerWaalsContact C-N 3.33Å; R168-L170 PolarHBondContact O-N 2.96Å; R168-R171 PolarHBondContact O-N 3.08Å; R168-T172 WeakPolarHBondContact O-CG2 3.38Å; R168-T172 PolarHBondContact O-N 3.48Å |
| 169 | F | 92.3 | Very high | 93.8 | Very high | 32 Ų | 32 | 67.8 Ų | 67.8 | 14% | 0.14 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 175.8 | 175.1 | -88.3 | 0 | 0 | 0 | 112 | P165 Y166 R171 T172 H173 I228 F231 | P165-F169 PolarHBondContact O-N 2.97Å; Y166-F169 WeakPolarHBondContact O-CB 3.41Å; Y166-F169 PolarHBondContact O-N 2.88Å; F169-R171 PolarHBondContact O-N 2.9Å; F169-T172 PolarHBondContact O-N 3.17Å; F169-T172 PolarHBondContact O-OG1 3.31Å; F169-H173 AromaticContact CD2-CE1 3.57Å; F169-H173 AromaticContact CD2-ND1 3.79Å; F169-H173 AromaticContact CE1-ND1 3.84Å; F169-H173 AromaticContact CE2-CE1 3.17Å; F169-H173 WeakPolarHBondContact CE2-CE1 3.46Å; F169-H173 AromaticContact CE2-ND1 3.61Å; F169-H173 AromaticContact CE2-NE2 3.96Å; F169-H173 AromaticContact CG-ND1 3.99Å; F169-H173 AromaticContact CZ-CE1 3.51Å; F169-H173 AromaticContact CZ-ND1 3.63Å; F169-H173 PolarHBondContact O-N 3.15Å; F169-H173 PolarHBondContact O-ND1 3.01Å; F169-I228 HydrophobicContact CE1-CG2 4.09Å; F169-I228 HydrophobicContact CZ-CB 4.43Å; F169-I228 HydrophobicContact CZ-CG1 4.13Å; F169-I228 HydrophobicContact CZ-CG2 4.22Å; F169-F231 HydrophobicContact CB-CE1 3.84Å; F169-F231 HydrophobicContact CB-CZ 3.82Å; F169-F231 AromaticContact CD1-CD1 3.54Å; F169-F231 HydrophobicContact CD1-CD1 3.54Å; F169-F231 AromaticContact CD1-CE1 3.29Å; F169-F231 HydrophobicContact CD1-CE1 3.29Å; F169-F231 HydrophobicContact CD1-CZ 4.1Å; F169-F231 AromaticContact CD2-CD1 3.72Å; F169-F231 HydrophobicContact CD2-CD1 3.72Å; F169-F231 HydrophobicContact CD2-CD2 4.02Å; F169-F231 AromaticContact CD2-CE1 3.52Å; F169-F231 HydrophobicContact CD2-CE1 3.52Å; F169-F231 AromaticContact CD2-CE2 3.82Å; F169-F231 HydrophobicContact CD2-CE2 3.82Å; F169-F231 AromaticContact CD2-CG 3.97Å; F169-F231 HydrophobicContact CD2-CG 3.97Å; F169-F231 AromaticContact CD2-CZ 3.56Å; F169-F231 HydrophobicContact CD2-CZ 3.56Å; F169-F231 AromaticContact CE1-CD1 3.31Å; F169-F231 HydrophobicContact CE1-CD1 3.31Å; F169-F231 AromaticContact CE1-CE1 3.64Å; F169-F231 HydrophobicContact CE1-CE1 3.64Å; F169-F231 HydrophobicContact CE1-CG 4.11Å; F169-F231 HydrophobicContact CE2-CB 4.06Å; F169-F231 AromaticContact CE2-CD1 3.48Å; F169-F231 HydrophobicContact CE2-CD1 3.48Å; F169-F231 VanDerWaalsContact CE2-CD1 3.48Å; F169-F231 AromaticContact CE2-CD2 3.83Å; F169-F231 HydrophobicContact CE2-CD2 3.83Å; F169-F231 AromaticContact CE2-CE1 3.82Å; F169-F231 HydrophobicContact CE2-CE1 3.82Å; F169-F231 HydrophobicContact CE2-CE2 4.12Å; F169-F231 AromaticContact CE2-CG 3.48Å; F169-F231 HydrophobicContact CE2-CG 3.48Å; F169-F231 VanDerWaalsContact CE2-CG 3.48Å; F169-F231 HydrophobicContact CE2-CZ 4.12Å; F169-F231 AromaticContact CG-CD1 3.75Å; F169-F231 HydrophobicContact CG-CD1 3.75Å; F169-F231 AromaticContact CG-CE1 3.24Å; F169-F231 HydrophobicContact CG-CE1 3.24Å; F169-F231 HydrophobicContact CG-CE2 4.29Å; F169-F231 HydrophobicContact CG-CG 4.46Å; F169-F231 AromaticContact CG-CZ 3.55Å; F169-F231 HydrophobicContact CG-CZ 3.55Å; F169-F231 HydrophobicContact CZ-CB 3.89Å; F169-F231 AromaticContact CZ-CD1 3.28Å; F169-F231 HydrophobicContact CZ-CD1 3.28Å; F169-F231 HydrophobicContact CZ-CD2 4.38Å; F169-F231 AromaticContact CZ-CE1 3.88Å; F169-F231 HydrophobicContact CZ-CE1 3.88Å; F169-F231 AromaticContact CZ-CG 3.57Å; F169-F231 HydrophobicContact CZ-CG 3.57Å |
| 170 | L | 90.2 | Very high | 93.7 | Very high | 34 Ų | 34 | 64.9 Ų | 64.9 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61 | -44.3 | 175.8 | -69.2 | -173.7 | 0 | 0 | 0 | 111.8 | Y166 R168 T172 H173 Q174 V192 | Y166-L170 HydrophobicContact CD1-CD1 3.98Å; Y166-L170 HydrophobicContact CD1-CG 4.18Å; Y166-L170 HydrophobicContact CE1-CD1 3.43Å; Y166-L170 VanDerWaalsContact CE1-CD1 3.43Å; Y166-L170 HydrophobicContact CE1-CD2 4.24Å; Y166-L170 HydrophobicContact CE1-CG 3.8Å; Y166-L170 PolarHBondContact O-N 3Å; R168-L170 VanDerWaalsContact C-N 3.33Å; R168-L170 PolarHBondContact O-N 2.96Å; L170-T172 PolarHBondContact O-N 2.91Å; L170-H173 CarbonylContact O-C 3.57Å; L170-H173 PolarHBondContact O-N 2.97Å; L170-H173 VanDerWaalsContact O-N 3.15Å; L170-Q174 PolarHBondContact O-N 3.25Å; L170-V192 HydrophobicContact CD1-CG1 4.18Å; L170-V192 HydrophobicContact CD2-CB 4.28Å; L170-V192 HydrophobicContact CD2-CG1 3.77Å |
| 171 | R | 92.6 | Very high | 93.8 | Very high | 139 Ų | 139 | 65.5 Ų | 65.5 | 53% | 0.525 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 176.6 | -74.5 | -172.6 | -65 | -93.9 | 2.6 | 112.7 | Q167 R168 F169 H173 Q174 | Q167-R171 WeakPolarHBondContact O-CG 3.3Å; Q167-R171 PolarHBondContact O-N 2.83Å; Q167-R171 VanDerWaalsContact O-N 3.15Å; R168-R171 PolarHBondContact O-N 3.08Å; F169-R171 PolarHBondContact O-N 2.9Å; R171-H173 PolarHBondContact O-N 2.94Å; R171-Q174 WeakPolarHBondContact O-CB 3.34Å; R171-Q174 PolarHBondContact O-N 2.97Å |
| 172 | T | 94.2 | Very high | 94 | Very high | 97 Ų | 97 | 68.1 Ų | 68.1 | 60% | 0.595 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -68.6 | -19.7 | 179.5 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | R168 F169 L170 | R168-T172 WeakPolarHBondContact O-CG2 3.38Å; R168-T172 PolarHBondContact O-N 3.48Å; F169-T172 PolarHBondContact O-N 3.17Å; F169-T172 PolarHBondContact O-OG1 3.31Å; L170-T172 PolarHBondContact O-N 2.91Å |
| 173 | H | 93.7 | Very high | 94.1 | Very high | 48 Ų | 48 | 65.2 Ų | 65.2 | 22% | 0.222 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 6.5 | 178.5 | -62.6 | 85.7 | 0 | 0 | 0 | 113.2 | F169 L170 R171 S175 F176 V177 I228 | F169-H173 AromaticContact CD2-CE1 3.57Å; F169-H173 AromaticContact CD2-ND1 3.79Å; F169-H173 AromaticContact CE1-ND1 3.84Å; F169-H173 AromaticContact CE2-CE1 3.17Å; F169-H173 WeakPolarHBondContact CE2-CE1 3.46Å; F169-H173 AromaticContact CE2-ND1 3.61Å; F169-H173 AromaticContact CE2-NE2 3.96Å; F169-H173 AromaticContact CG-ND1 3.99Å; F169-H173 AromaticContact CZ-CE1 3.51Å; F169-H173 AromaticContact CZ-ND1 3.63Å; F169-H173 PolarHBondContact O-N 3.15Å; F169-H173 PolarHBondContact O-ND1 3.01Å; L170-H173 CarbonylContact O-C 3.57Å; L170-H173 PolarHBondContact O-N 2.97Å; L170-H173 VanDerWaalsContact O-N 3.15Å; R171-H173 PolarHBondContact O-N 2.94Å; H173-S175 VanDerWaalsContact C-N 3.35Å; H173-S175 PolarHBondContact O-N 3.29Å; H173-F176 WeakPolarHBondContact O-CB 3.19Å; H173-F176 PolarHBondContact O-N 3.23Å; H173-V177 WeakPolarHBondContact O-CG2 3.33Å; H173-V177 PolarHBondContact O-N 3.27Å; H173-I228 HydrophobicContact CB-CD1 4.32Å |
| 174 | Q | 92.8 | Very high | 94.1 | Very high | 99 Ų | 99 | 64 Ų | 64 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -55.4 | -47 | -173.6 | 179.6 | 175.2 | -5.5 | 0 | 0 | 112.5 | L170 R171 F176 V177 E178 | L170-Q174 PolarHBondContact O-N 3.25Å; R171-Q174 WeakPolarHBondContact O-CB 3.34Å; R171-Q174 PolarHBondContact O-N 2.97Å; Q174-F176 PolarHBondContact O-N 2.68Å; Q174-V177 PolarHBondContact O-N 3.01Å; Q174-V177 VanDerWaalsContact O-N 3.13Å; Q174-E178 HydrophobicContact CG-CG 4.34Å; Q174-E178 VanDerWaalsContact CG-OE1 3.27Å; Q174-E178 WeakPolarHBondContact CG-OE1 3.22Å; Q174-E178 PolarHBondContact NE2-OE1 3.26Å; Q174-E178 WeakPolarHBondContact O-CG 3.19Å; Q174-E178 PolarHBondContact O-N 3.14Å |
| 175 | S | 94.6 | Very high | 94.2 | Very high | 64 Ų | 64 | 62.2 Ų | 62.2 | 45% | 0.448 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.2 | -33.2 | -179.6 | 74.7 | 0 | 0 | 0 | 0 | 112.8 | H173 R179 | H173-S175 VanDerWaalsContact C-N 3.35Å; H173-S175 PolarHBondContact O-N 3.29Å; S175-R179 WeakPolarHBondContact O-CG 3.44Å; S175-R179 PolarHBondContact O-N 3.32Å; S175-R179 PolarHBondContact O-NH1 2.73Å; S175-R179 VanDerWaalsContact O-NH1 3.07Å; S175-R179 PolarHBondContact OG-NH1 2.77Å |
| 176 | F | 94.6 | Very high | 94.2 | Very high | 20 Ų | 20 | 59.6 Ų | 59.6 | 9% | 0.088 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.4 | -46 | 175.4 | 177 | -95.8 | 0 | 0 | 0 | 110.8 | H173 Q174 E178 R179 L180 I196 V221 T224 L225 I228 | H173-F176 WeakPolarHBondContact O-CB 3.19Å; H173-F176 PolarHBondContact O-N 3.23Å; Q174-F176 PolarHBondContact O-N 2.68Å; F176-E178 VanDerWaalsContact C-N 3.33Å; F176-E178 PolarHBondContact O-N 2.98Å; F176-R179 PolarHBondContact O-N 2.99Å; F176-L180 HydrophobicContact CE1-CD2 4.17Å; F176-L180 WeakPolarHBondContact O-CB 3.49Å; F176-L180 PolarHBondContact O-N 2.79Å; F176-I196 HydrophobicContact CE1-CD1 4.34Å; F176-V221 HydrophobicContact CE2-CG1 4.25Å; F176-V221 HydrophobicContact CE2-CG2 4.48Å; F176-V221 HydrophobicContact CZ-CG1 4.25Å; F176-T224 HydrophobicContact CD1-CG2 4.08Å; F176-T224 HydrophobicContact CD2-CG2 3.7Å; F176-T224 HydrophobicContact CE1-CG2 3.94Å; F176-T224 HydrophobicContact CE2-CG2 3.54Å; F176-T224 HydrophobicContact CG-CG2 3.97Å; F176-T224 HydrophobicContact CZ-CG2 3.67Å; F176-L225 HydrophobicContact CE1-CD2 4.03Å; F176-L225 HydrophobicContact CE1-CG 4.38Å; F176-L225 HydrophobicContact CZ-CD2 4.13Å; F176-L225 HydrophobicContact CZ-CG 4Å; F176-I228 HydrophobicContact CD1-CD1 3.51Å; F176-I228 HydrophobicContact CE1-CD1 3.64Å; F176-I228 HydrophobicContact CG-CD1 4.42Å |
| 177 | V | 93.7 | Very high | 94.2 | Very high | 11 Ų | 11 | 62.3 Ų | 62.3 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 178.3 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | H173 Q174 L180 S181 V188 L191 I196 | H173-V177 WeakPolarHBondContact O-CG2 3.33Å; H173-V177 PolarHBondContact O-N 3.27Å; Q174-V177 PolarHBondContact O-N 3.01Å; Q174-V177 VanDerWaalsContact O-N 3.13Å; V177-L180 PolarHBondContact O-N 3.34Å; V177-S181 WeakPolarHBondContact O-CB 3.39Å; V177-S181 PolarHBondContact O-N 3.42Å; V177-V188 HydrophobicContact CG1-CG1 4.08Å; V177-L191 HydrophobicContact CG1-CB 3.68Å; V177-I196 HydrophobicContact CG2-CD1 4.44Å |
| 178 | E | 94.5 | Very high | 94.1 | Very high | 81 Ų | 81 | 61.9 Ų | 61.9 | 38% | 0.379 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 175.8 | -74 | 169.3 | 179.4 | 0 | 0 | 112.2 | Q174 F176 S181 N182 V188 | Q174-E178 HydrophobicContact CG-CG 4.34Å; Q174-E178 VanDerWaalsContact CG-OE1 3.27Å; Q174-E178 WeakPolarHBondContact CG-OE1 3.22Å; Q174-E178 PolarHBondContact NE2-OE1 3.26Å; Q174-E178 WeakPolarHBondContact O-CG 3.19Å; Q174-E178 PolarHBondContact O-N 3.14Å; F176-E178 VanDerWaalsContact C-N 3.33Å; F176-E178 PolarHBondContact O-N 2.98Å; E178-S181 WeakPolarHBondContact O-CB 3.14Å; E178-S181 PolarHBondContact O-N 2.83Å; E178-N182 PolarHBondContact O-N 3.4Å; E178-V188 HydrophobicContact CG-CG1 4.25Å; E178-V188 HydrophobicContact CG-CG2 4.14Å |
| 179 | R | 95.1 | Very high | 93.8 | Very high | 133 Ų | 133 | 59.1 Ų | 59.1 | 50% | 0.502 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 173.9 | -70 | -170.8 | -58.4 | -85.2 | 4.5 | 111.5 | S175 F176 S181 N182 H183 | S175-R179 WeakPolarHBondContact O-CG 3.44Å; S175-R179 PolarHBondContact O-N 3.32Å; S175-R179 PolarHBondContact O-NH1 2.73Å; S175-R179 VanDerWaalsContact O-NH1 3.07Å; S175-R179 PolarHBondContact OG-NH1 2.77Å; F176-R179 PolarHBondContact O-N 2.99Å; R179-S181 VanDerWaalsContact C-N 3.26Å; R179-S181 PolarHBondContact O-N 2.87Å; R179-N182 PolarHBondContact O-N 2.86Å; R179-H183 PolarHBondContact O-CD2 2.68Å; R179-H183 PolarHBondContact O-N 2.92Å |
| 180 | L | 95.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.3 | -34.4 | 178.3 | -169.8 | 68.2 | 0 | 0 | 0 | 112.1 | F176 V177 N182 H183 T184 L191 I196 V199 W216 L225 | F176-L180 HydrophobicContact CE1-CD2 4.17Å; F176-L180 WeakPolarHBondContact O-CB 3.49Å; F176-L180 PolarHBondContact O-N 2.79Å; V177-L180 PolarHBondContact O-N 3.34Å; L180-N182 PolarHBondContact O-N 3.25Å; L180-H183 PolarHBondContact O-N 2.99Å; L180-T184 HydrophobicContact CD1-CG2 3.84Å; L180-T184 HydrophobicContact CG-CG2 3.91Å; L180-T184 WeakPolarHBondContact O-CB 3.41Å; L180-T184 VanDerWaalsContact O-CG2 3.3Å; L180-T184 WeakPolarHBondContact O-CG2 3.14Å; L180-T184 PolarHBondContact O-N 2.99Å; L180-T184 PolarHBondContact O-OG1 3.19Å; L180-L191 HydrophobicContact CB-CD1 4.4Å; L180-L191 HydrophobicContact CD2-CD2 4.25Å; L180-L191 HydrophobicContact CG-CD1 4.37Å; L180-I196 HydrophobicContact CD2-CD1 4.12Å; L180-I196 HydrophobicContact CD2-CG1 4.21Å; L180-V199 HydrophobicContact CD1-CG1 4.24Å; L180-W216 HydrophobicContact CD1-CE3 4.48Å; L180-W216 HydrophobicContact CD1-CH2 4.01Å; L180-W216 HydrophobicContact CD1-CZ3 3.65Å; L180-L225 HydrophobicContact CD1-CD2 4.35Å; L180-L225 HydrophobicContact CD2-CD2 3.69Å |
| 181 | S | 96.1 | Very high | 93.2 | Very high | 14 Ų | 14 | 64.1 Ų | 64.1 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.7 | -47.8 | 173.3 | -179.3 | 0 | 0 | 0 | 0 | 112.3 | V177 E178 R179 H183 T184 G185 Y186 V188 L191 | V177-S181 WeakPolarHBondContact O-CB 3.39Å; V177-S181 PolarHBondContact O-N 3.42Å; E178-S181 WeakPolarHBondContact O-CB 3.14Å; E178-S181 PolarHBondContact O-N 2.83Å; R179-S181 VanDerWaalsContact C-N 3.26Å; R179-S181 PolarHBondContact O-N 2.87Å; S181-H183 VanDerWaalsContact C-N 3.29Å; S181-H183 PolarHBondContact O-N 2.9Å; S181-T184 PolarHBondContact O-N 2.88Å; S181-G185 WeakPolarHBondContact O-CA 3.5Å; S181-G185 PolarHBondContact O-N 2.99Å; S181-Y186 WeakPolarHBondContact CA-O 3.41Å; S181-Y186 WeakPolarHBondContact CB-O 3.37Å; S181-Y186 PolarHBondContact OG-O 3.07Å; S181-V188 PolarHBondContact OG-N 3.16Å; S181-L191 VanDerWaalsContact N-CD1 3.34Å |
| 182 | N | 95.9 | Very high | 92.6 | Very high | 112 Ų | 112 | 59.9 Ų | 59.9 | 60% | 0.599 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.1 | -36.3 | 177.9 | -69.8 | -24.5 | 0 | 0 | 0 | 112.4 | R43 E178 R179 L180 | R43-N182 PolarHBondContact NH1-O 3.34Å; E178-N182 PolarHBondContact O-N 3.4Å; R179-N182 PolarHBondContact O-N 2.86Å; L180-N182 PolarHBondContact O-N 3.25Å |
| 183 | H | 95.8 | Very high | 92.1 | Very high | 78 Ų | 78 | 56 Ų | 56 | 36% | 0.361 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -77 | -39 | -179.9 | -69 | -48.7 | 0 | 0 | 0 | 113.5 | R43 R179 L180 S181 W216 | R43-H183 VanDerWaalsContact CB-O 3.29Å; R43-H183 WeakPolarHBondContact CB-O 3.36Å; R179-H183 PolarHBondContact O-CD2 2.68Å; R179-H183 PolarHBondContact O-N 2.92Å; L180-H183 PolarHBondContact O-N 2.99Å; S181-H183 VanDerWaalsContact C-N 3.29Å; S181-H183 PolarHBondContact O-N 2.9Å; H183-W216 HydrophobicContact CB-CD2 3.66Å; H183-W216 HydrophobicContact CB-CE3 4.15Å; H183-W216 HydrophobicContact CB-CG 3.89Å; H183-W216 HydrophobicContact CB-CZ2 4.09Å; H183-W216 AromaticContact CD2-CG 3.96Å; H183-W216 AromaticContact CG-CD1 3.81Å; H183-W216 AromaticContact CG-CD2 3.75Å; H183-W216 AromaticContact CG-CG 3.54Å; H183-W216 AromaticContact ND1-CD1 3.61Å; H183-W216 AromaticContact ND1-CG 3.59Å |
| 184 | T | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -91.1 | -22.6 | -172.7 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | Y41 P42 R43 L180 S181 Y186 V199 W216 | Y41-T184 HydrophobicContact CD2-CG2 3.98Å; Y41-T184 HydrophobicContact CE2-CG2 4.4Å; Y41-T184 HydrophobicContact CG-CG2 4.11Å; P42-T184 VanDerWaalsContact CD-O 3.22Å; P42-T184 WeakPolarHBondContact CD-O 3.5Å; R43-T184 PolarHBondContact N-O 2.84Å; L180-T184 HydrophobicContact CD1-CG2 3.84Å; L180-T184 HydrophobicContact CG-CG2 3.91Å; L180-T184 WeakPolarHBondContact O-CB 3.41Å; L180-T184 VanDerWaalsContact O-CG2 3.3Å; L180-T184 WeakPolarHBondContact O-CG2 3.14Å; L180-T184 PolarHBondContact O-N 2.99Å; L180-T184 PolarHBondContact O-OG1 3.19Å; S181-T184 PolarHBondContact O-N 2.88Å; T184-Y186 VanDerWaalsContact C-N 3.26Å; T184-Y186 PolarHBondContact OG1-N 3.49Å; T184-V199 HydrophobicContact CG2-CG1 3.86Å; T184-V199 HydrophobicContact CG2-CG2 3.83Å; T184-W216 HydrophobicContact CG2-CH2 4.12Å; T184-W216 HydrophobicContact CG2-CZ2 4.37Å |
| 185 | G | 95.6 | Very high | 91.5 | Very high | 28 Ų | 28 | 59.2 Ų | 59.2 | 29% | 0.289 | 31% | 0.307 | S | S | . | . | trans | 79.8 | 2.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S181 | S181-G185 WeakPolarHBondContact O-CA 3.5Å; S181-G185 PolarHBondContact O-N 2.99Å | ||
| 186 | Y | 95.1 | Very high | 91.4 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 9% | 0.09 | 29% | 0.286 | C | S | . | . | trans | -78 | 142.7 | 170.9 | -75.9 | -55.9 | 0 | 0 | 0 | 111.3 | E39 S40 Y41 P42 S181 T184 L191 K195 V199 | E39-Y186 PolarHBondContact OE1-OH 3.46Å; S40-Y186 PolarHBondContact O-OH 3.29Å; Y41-Y186 VanDerWaalsContact CB-CE2 3.41Å; P42-Y186 HydrophobicContact CG-CD1 4.1Å; P42-Y186 HydrophobicContact CG-CE1 4Å; S181-Y186 WeakPolarHBondContact CA-O 3.41Å; S181-Y186 WeakPolarHBondContact CB-O 3.37Å; S181-Y186 PolarHBondContact OG-O 3.07Å; T184-Y186 VanDerWaalsContact C-N 3.26Å; T184-Y186 PolarHBondContact OG1-N 3.49Å; Y186-L191 VanDerWaalsContact CB-CG 3.49Å; Y186-L191 HydrophobicContact CD2-CD2 3.67Å; Y186-L191 HydrophobicContact CD2-CG 4.36Å; Y186-L191 HydrophobicContact CG-CD2 4.1Å; Y186-L191 HydrophobicContact CG-CG 4.3Å; Y186-K195 HydrophobicContact CD1-CD 4.36Å; Y186-K195 HydrophobicContact CE1-CD 3.8Å; Y186-K195 HydrophobicContact CE2-CD 4.12Å; Y186-K195 PolarHBondContact OH-NZ 2.86Å; Y186-V199 HydrophobicContact CD2-CG2 4.16Å; Y186-V199 HydrophobicContact CE2-CG2 4.04Å | ||
| 187 | P | 94.1 | Very high | 91.2 | Very high | 64 Ų | 64 | 57.3 Ų | 57.3 | 42% | 0.416 | 29% | 0.29 | S | S | . | . | trans | -60.2 | 141.9 | 168 | -21.1 | 32 | 0 | 0 | 0 | 111.6 | S189 R190 L191 | P187-S189 VanDerWaalsContact C-N 3.26Å; P187-S189 PolarHBondContact O-N 2.85Å; P187-R190 HydrophobicContact CB-CB 4.49Å; P187-R190 HydrophobicContact CB-CG 4.37Å; P187-R190 HydrophobicContact CG-CG 4.43Å; P187-R190 WeakPolarHBondContact O-CA 3.36Å; P187-R190 PolarHBondContact O-N 2.87Å; P187-L191 PolarHBondContact O-N 3.07Å | ||
| 188 | V | 90.3 | Very high | 91.2 | Very high | 60 Ų | 60 | 59.9 Ų | 59.9 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -50 | -45.9 | 178 | 176.3 | 0 | 0 | 0 | 0 | 111.9 | V177 E178 S181 R190 L191 | V177-V188 HydrophobicContact CG1-CG1 4.08Å; E178-V188 HydrophobicContact CG-CG1 4.25Å; E178-V188 HydrophobicContact CG-CG2 4.14Å; S181-V188 PolarHBondContact OG-N 3.16Å; V188-R190 PolarHBondContact O-N 3.08Å; V188-R190 VanDerWaalsContact O-N 3.09Å; V188-L191 PolarHBondContact O-N 2.54Å |
| 189 | S | 86.9 | Confident | 91.3 | Very high | 100 Ų | 100 | 56 Ų | 56 | 70% | 0.699 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -61.5 | -19.5 | 179 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | P187 | P187-S189 VanDerWaalsContact C-N 3.26Å; P187-S189 PolarHBondContact O-N 2.85Å |
| 190 | R | 84.9 | Confident | 91.3 | Very high | 171 Ų | 171 | 50.6 Ų | 50.6 | 65% | 0.645 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -98.8 | -12.6 | 177.6 | -65 | -169.4 | 177.7 | -172.4 | 0.3 | 112.9 | P187 V188 V192 K195 | P187-R190 HydrophobicContact CB-CB 4.49Å; P187-R190 HydrophobicContact CB-CG 4.37Å; P187-R190 HydrophobicContact CG-CG 4.43Å; P187-R190 WeakPolarHBondContact O-CA 3.36Å; P187-R190 PolarHBondContact O-N 2.87Å; V188-R190 PolarHBondContact O-N 3.08Å; V188-R190 VanDerWaalsContact O-N 3.09Å; R190-V192 PolarHBondContact O-N 2.77Å; R190-V192 VanDerWaalsContact O-N 3.15Å; R190-K195 WeakPolarHBondContact O-CB 3.5Å; R190-K195 VanDerWaalsContact O-CG 3.27Å; R190-K195 WeakPolarHBondContact O-CG 3.36Å |
| 191 | L | 84.5 | Confident | 91.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -86.9 | 43 | -178.5 | -86.5 | 173.2 | 0 | 0 | 0 | 113.8 | V177 L180 S181 Y186 P187 V188 V199 | V177-L191 HydrophobicContact CG1-CB 3.68Å; L180-L191 HydrophobicContact CB-CD1 4.4Å; L180-L191 HydrophobicContact CD2-CD2 4.25Å; L180-L191 HydrophobicContact CG-CD1 4.37Å; S181-L191 VanDerWaalsContact N-CD1 3.34Å; Y186-L191 VanDerWaalsContact CB-CG 3.49Å; Y186-L191 HydrophobicContact CD2-CD2 3.67Å; Y186-L191 HydrophobicContact CD2-CG 4.36Å; Y186-L191 HydrophobicContact CG-CD2 4.1Å; Y186-L191 HydrophobicContact CG-CG 4.3Å; P187-L191 PolarHBondContact O-N 3.07Å; V188-L191 PolarHBondContact O-N 2.54Å; L191-V199 HydrophobicContact CD2-CG2 4.14Å |
| 192 | V | 81.6 | Confident | 91.4 | Very high | 50 Ų | 50 | 50.2 Ų | 50.2 | 30% | 0.303 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -128.6 | 160.1 | 175.6 | -65 | 0 | 0 | 0 | 0 | 109.4 | L170 R190 K194 K195 | L170-V192 HydrophobicContact CD1-CG1 4.18Å; L170-V192 HydrophobicContact CD2-CB 4.28Å; L170-V192 HydrophobicContact CD2-CG1 3.77Å; R190-V192 PolarHBondContact O-N 2.77Å; R190-V192 VanDerWaalsContact O-N 3.15Å; V192-K194 PolarHBondContact O-N 2.95Å; V192-K194 VanDerWaalsContact O-N 3.17Å; V192-K195 PolarHBondContact O-N 2.99Å |
| 193 | G | 82.9 | Confident | 91.5 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 16% | 0.155 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | -119.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K195 I196 W197 E232 | G193-K195 VanDerWaalsContact C-N 3.27Å; G193-K195 PolarHBondContact O-N 3.44Å; G193-I196 VanDerWaalsContact O-CG2 3.23Å; G193-I196 WeakPolarHBondContact O-CG2 3.27Å; G193-W197 PolarHBondContact O-N 3.28Å; G193-E232 WeakPolarHBondContact CA-OE2 3.12Å; G193-E232 PolarHBondContact N-OE1 2.95Å |
| 194 | K | 84.3 | Confident | 91.5 | Very high | 165 Ų | 165 | 42.4 Ų | 42.4 | 72% | 0.717 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -59.6 | -33.6 | -173.2 | -68.7 | -173.5 | 178.2 | -177.1 | 0 | 113.6 | V192 R198 | V192-K194 PolarHBondContact O-N 2.95Å; V192-K194 VanDerWaalsContact O-N 3.17Å; K194-R198 WeakPolarHBondContact O-CD 3.49Å; K194-R198 VanDerWaalsContact O-CG 3.25Å; K194-R198 WeakPolarHBondContact O-CG 3.26Å; K194-R198 PolarHBondContact O-N 3.45Å |
| 195 | K | 90.1 | Very high | 91.6 | Very high | 50 Ų | 50 | 42.4 Ų | 42.4 | 22% | 0.217 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -77.9 | -36.3 | -172 | -77.9 | -74.2 | 177.6 | -175.9 | 0 | 113.2 | E39 Y186 R190 V192 G193 W197 R198 V199 | E39-K195 IonicContact OE1-NZ 3.73Å; E39-K195 PolarHBondContact OE1-NZ 2.8Å; E39-K195 IonicContact OE2-NZ 2.74Å; Y186-K195 HydrophobicContact CD1-CD 4.36Å; Y186-K195 HydrophobicContact CE1-CD 3.8Å; Y186-K195 HydrophobicContact CE2-CD 4.12Å; Y186-K195 PolarHBondContact OH-NZ 2.86Å; R190-K195 WeakPolarHBondContact O-CB 3.5Å; R190-K195 VanDerWaalsContact O-CG 3.27Å; R190-K195 WeakPolarHBondContact O-CG 3.36Å; V192-K195 PolarHBondContact O-N 2.99Å; G193-K195 VanDerWaalsContact C-N 3.27Å; G193-K195 PolarHBondContact O-N 3.44Å; K195-W197 VanDerWaalsContact C-N 3.33Å; K195-R198 VanDerWaalsContact NZ-NH1 3.2Å; K195-R198 WeakPolarHBondContact O-CB 3.26Å; K195-R198 PolarHBondContact O-N 2.85Å; K195-V199 WeakPolarHBondContact O-CG2 3.42Å; K195-V199 PolarHBondContact O-N 3.35Å; K195-V199 VanDerWaalsContact O-N 3.08Å |
| 196 | I | 91.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.9 | -38.8 | 172.3 | -169.5 | 152.5 | 0 | 0 | 0 | 111 | F176 V177 L180 G193 R198 V199 H200 L225 I228 E232 | F176-I196 HydrophobicContact CE1-CD1 4.34Å; V177-I196 HydrophobicContact CG2-CD1 4.44Å; L180-I196 HydrophobicContact CD2-CD1 4.12Å; L180-I196 HydrophobicContact CD2-CG1 4.21Å; G193-I196 VanDerWaalsContact O-CG2 3.23Å; G193-I196 WeakPolarHBondContact O-CG2 3.27Å; I196-R198 VanDerWaalsContact C-N 3.32Å; I196-R198 PolarHBondContact O-N 2.9Å; I196-V199 PolarHBondContact O-N 3.35Å; I196-H200 PolarHBondContact O-N 3.2Å; I196-H200 VanDerWaalsContact O-N 3.07Å; I196-L225 HydrophobicContact CD1-CD2 4.3Å; I196-L225 HydrophobicContact CG1-CD2 3.8Å; I196-I228 HydrophobicContact CD1-CB 4.19Å; I196-I228 HydrophobicContact CD1-CD1 4.02Å; I196-I228 HydrophobicContact CD1-CG2 3.57Å; I196-I228 HydrophobicContact CG1-CG2 4.13Å; I196-I228 HydrophobicContact CG2-CG2 4.12Å; I196-E232 HydrophobicContact CG2-CG 4.18Å |
| 197 | W | 91.8 | Very high | 91.8 | Very high | 43 Ų | 43 | 45.9 Ų | 45.9 | 16% | 0.163 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.8 | -40.2 | 171.4 | -178.7 | 95.6 | 0 | 0 | 0 | 112 | I38 G193 K195 H200 D201 A229 | I38-W197 HydrophobicContact CD1-CH2 4.4Å; I38-W197 HydrophobicContact CD1-CZ3 3.75Å; I38-W197 HydrophobicContact CG1-CZ3 4.41Å; G193-W197 PolarHBondContact O-N 3.28Å; K195-W197 VanDerWaalsContact C-N 3.33Å; W197-H200 WeakPolarHBondContact O-CB 3.45Å; W197-H200 PolarHBondContact O-N 3.37Å; W197-D201 HydrophobicContact CE3-CB 4.3Å; W197-D201 HydrophobicContact CH2-CB 4.18Å; W197-D201 HydrophobicContact CZ3-CB 4.04Å; W197-D201 WeakPolarHBondContact O-CB 3.32Å; W197-D201 PolarHBondContact O-N 3.43Å; W197-A229 HydrophobicContact CB-CB 4.43Å |
| 198 | R | 93.1 | Very high | 92 | Very high | 65 Ų | 65 | 46 Ų | 46 | 25% | 0.245 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.8 | -43.3 | 176.2 | -78.4 | 149.3 | 166.8 | -137.7 | 1.7 | 112.2 | I38 E39 K194 K195 I196 H200 D201 T202 | I38-R198 HydrophobicContact CD1-CG 4.42Å; E39-R198 VanDerWaalsContact CD-CZ 3.48Å; E39-R198 HydrophobicContact CG-CB 4.4Å; E39-R198 HydrophobicContact CG-CG 4.14Å; E39-R198 WeakPolarHBondContact OE1-CD 3.29Å; E39-R198 IonicContact OE1-CZ 2.87Å; E39-R198 IonicContact OE1-NE 3.47Å; E39-R198 PolarHBondContact OE1-NE 3.24Å; E39-R198 IonicContact OE1-NH1 2.73Å; E39-R198 PolarHBondContact OE1-NH1 2.72Å; E39-R198 IonicContact OE2-CZ 2.61Å; E39-R198 IonicContact OE2-NE 3.53Å; E39-R198 IonicContact OE2-NH1 3.65Å; E39-R198 PolarHBondContact OE2-NH1 3.28Å; E39-R198 IonicContact OE2-NH2 3.87Å; K194-R198 WeakPolarHBondContact O-CD 3.49Å; K194-R198 VanDerWaalsContact O-CG 3.25Å; K194-R198 WeakPolarHBondContact O-CG 3.26Å; K194-R198 PolarHBondContact O-N 3.45Å; K195-R198 VanDerWaalsContact NZ-NH1 3.2Å; K195-R198 WeakPolarHBondContact O-CB 3.26Å; K195-R198 PolarHBondContact O-N 2.85Å; I196-R198 VanDerWaalsContact C-N 3.32Å; I196-R198 PolarHBondContact O-N 2.9Å; R198-H200 VanDerWaalsContact C-N 3.34Å; R198-H200 PolarHBondContact O-N 2.94Å; R198-D201 PolarHBondContact O-N 3.2Å; R198-T202 PolarHBondContact O-N 2.86Å; R198-T202 PolarHBondContact O-OG1 2.67Å |
| 199 | V | 95.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 175.2 | 176.9 | 0 | 0 | 0 | 0 | 111 | Y41 L180 T184 Y186 L191 K195 I196 T202 L203 W216 L225 | Y41-V199 HydrophobicContact CD1-CG1 4.34Å; Y41-V199 HydrophobicContact CD1-CG2 4.42Å; L180-V199 HydrophobicContact CD1-CG1 4.24Å; T184-V199 HydrophobicContact CG2-CG1 3.86Å; T184-V199 HydrophobicContact CG2-CG2 3.83Å; Y186-V199 HydrophobicContact CD2-CG2 4.16Å; Y186-V199 HydrophobicContact CE2-CG2 4.04Å; L191-V199 HydrophobicContact CD2-CG2 4.14Å; K195-V199 WeakPolarHBondContact O-CG2 3.42Å; K195-V199 PolarHBondContact O-N 3.35Å; K195-V199 VanDerWaalsContact O-N 3.08Å; I196-V199 PolarHBondContact O-N 3.35Å; V199-T202 PolarHBondContact O-N 2.82Å; V199-L203 HydrophobicContact CG1-CD1 4.07Å; V199-L203 WeakPolarHBondContact O-CG 3.48Å; V199-L203 PolarHBondContact O-N 2.83Å; V199-L203 VanDerWaalsContact O-N 3.09Å; V199-W216 HydrophobicContact CG1-CH2 4.26Å; V199-L225 HydrophobicContact CG1-CD1 4.09Å; V199-L225 HydrophobicContact CG1-CD2 4.39Å |
| 200 | H | 95.4 | Very high | 92.8 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 9% | 0.088 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 174.4 | 170.7 | -95.5 | 0 | 0 | 0 | 112.3 | I196 W197 R198 T204 L225 R226 A229 | I196-H200 PolarHBondContact O-N 3.2Å; I196-H200 VanDerWaalsContact O-N 3.07Å; W197-H200 WeakPolarHBondContact O-CB 3.45Å; W197-H200 PolarHBondContact O-N 3.37Å; R198-H200 VanDerWaalsContact C-N 3.34Å; R198-H200 PolarHBondContact O-N 2.94Å; H200-T204 VanDerWaalsContact O-CB 3.24Å; H200-T204 WeakPolarHBondContact O-CB 3.44Å; H200-T204 PolarHBondContact O-N 2.9Å; H200-T204 PolarHBondContact O-OG1 3.17Å; H200-L225 HydrophobicContact CB-CB 4.17Å; H200-R226 VanDerWaalsContact CD2-CA 3.46Å; H200-R226 WeakPolarHBondContact CD2-CA 3.38Å; H200-R226 PolarHBondContact CD2-N 3.48Å; H200-A229 HydrophobicContact CB-CB 4.15Å |
| 201 | D | 96 | Very high | 93.4 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.043 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.1 | -51.2 | 177.7 | -173.1 | 74.7 | 0 | 0 | 0 | 111.2 | R35 W197 R198 L203 T204 C205 | R35-D201 IonicContact CZ-OD1 3.23Å; R35-D201 IonicContact CZ-OD2 3.42Å; R35-D201 IonicContact NH1-OD1 2.8Å; R35-D201 PolarHBondContact NH1-OD1 3.22Å; R35-D201 IonicContact NH1-OD2 2.86Å; R35-D201 PolarHBondContact NH1-OD2 3.39Å; R35-D201 IonicContact NH2-OD1 2.67Å; R35-D201 PolarHBondContact NH2-OD1 2.88Å; R35-D201 IonicContact NH2-OD2 3.83Å; R35-D201 PolarHBondContact NH2-OD2 3.1Å; W197-D201 HydrophobicContact CE3-CB 4.3Å; W197-D201 HydrophobicContact CH2-CB 4.18Å; W197-D201 HydrophobicContact CZ3-CB 4.04Å; W197-D201 WeakPolarHBondContact O-CB 3.32Å; W197-D201 PolarHBondContact O-N 3.43Å; R198-D201 PolarHBondContact O-N 3.2Å; D201-L203 PolarHBondContact O-N 3.26Å; D201-T204 PolarHBondContact O-N 2.7Å; D201-C205 PolarHBondContact O-N 3.06Å; D201-C205 PolarHBondContact O-SG 2.82Å |
| 202 | T | 97.4 | Very high | 94 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.4 | -52.3 | 179.3 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | P37 E39 Y41 D44 R198 V199 T204 C205 Q206 | P37-T202 HydrophobicContact CB-CG2 4.29Å; P37-T202 HydrophobicContact CG-CG2 4.24Å; E39-T202 PolarHBondContact O-OG1 3.45Å; Y41-T202 HydrophobicContact CD1-CG2 4.19Å; Y41-T202 HydrophobicContact CE1-CG2 4.07Å; D44-T202 VanDerWaalsContact OD2-CG2 3.3Å; D44-T202 WeakPolarHBondContact OD2-CG2 3.29Å; R198-T202 PolarHBondContact O-N 2.86Å; R198-T202 PolarHBondContact O-OG1 2.67Å; V199-T202 PolarHBondContact O-N 2.82Å; T202-T204 VanDerWaalsContact C-N 3.31Å; T202-T204 PolarHBondContact O-N 3.32Å; T202-C205 PolarHBondContact O-N 2.77Å; T202-Q206 VanDerWaalsContact O-CG 3.3Å; T202-Q206 WeakPolarHBondContact O-CG 3.42Å; T202-Q206 PolarHBondContact O-N 3.18Å |
| 203 | L | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.6 | -33.9 | 179.6 | -66.7 | 173.8 | 0 | 0 | 0 | 112.3 | Y41 V199 D201 R207 L213 W216 A217 L222 L225 | Y41-L203 HydrophobicContact CE1-CD2 4.13Å; Y41-L203 HydrophobicContact CE1-CG 4.36Å; V199-L203 HydrophobicContact CG1-CD1 4.07Å; V199-L203 WeakPolarHBondContact O-CG 3.48Å; V199-L203 PolarHBondContact O-N 2.83Å; V199-L203 VanDerWaalsContact O-N 3.09Å; D201-L203 PolarHBondContact O-N 3.26Å; L203-R207 VanDerWaalsContact O-CB 3.29Å; L203-R207 WeakPolarHBondContact O-CB 3.35Å; L203-R207 PolarHBondContact O-N 2.83Å; L203-L213 HydrophobicContact CD2-CD2 4.22Å; L203-W216 HydrophobicContact CD1-CH2 3.71Å; L203-W216 HydrophobicContact CD1-CZ3 3.99Å; L203-W216 HydrophobicContact CD2-CH2 4.39Å; L203-A217 HydrophobicContact CD1-CB 4.18Å; L203-A217 HydrophobicContact CD2-CB 4.11Å; L203-L222 HydrophobicContact CB-CD2 3.82Å; L203-L222 HydrophobicContact CD1-CD2 3.78Å; L203-L222 HydrophobicContact CG-CD2 4.41Å; L203-L225 HydrophobicContact CD1-CD1 3.59Å |
| 204 | T | 96.7 | Very high | 95.4 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 16% | 0.16 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.8 | -47.3 | 176.7 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | H200 D201 T202 R207 I208 | H200-T204 VanDerWaalsContact O-CB 3.24Å; H200-T204 WeakPolarHBondContact O-CB 3.44Å; H200-T204 PolarHBondContact O-N 2.9Å; H200-T204 PolarHBondContact O-OG1 3.17Å; D201-T204 PolarHBondContact O-N 2.7Å; T202-T204 VanDerWaalsContact C-N 3.31Å; T202-T204 PolarHBondContact O-N 3.32Å; T204-R207 PolarHBondContact O-N 2.9Å; T204-I208 HydrophobicContact CG2-CD1 3.86Å; T204-I208 VanDerWaalsContact O-CG1 3.29Å; T204-I208 WeakPolarHBondContact O-CG1 3.29Å; T204-I208 PolarHBondContact O-N 2.77Å |
| 205 | C | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.6 | -50.4 | 174.3 | -72.9 | 0 | 0 | 0 | 0 | 111 | R35 P37 W51 D201 T202 R207 I208 H209 | R35-C205 PolarHBondContact O-SG 3.49Å; P37-C205 HydrophobicContact CG-CB 3.75Å; W51-C205 HydrophobicContact CH2-CB 3.88Å; W51-C205 HydrophobicContact CZ2-CB 4.32Å; D201-C205 PolarHBondContact O-N 3.06Å; D201-C205 PolarHBondContact O-SG 2.82Å; T202-C205 PolarHBondContact O-N 2.77Å; C205-R207 VanDerWaalsContact C-N 3.28Å; C205-R207 PolarHBondContact O-N 2.72Å; C205-I208 PolarHBondContact O-N 2.96Å; C205-H209 PolarHBondContact O-CD2 2.7Å; C205-H209 VanDerWaalsContact O-CD2 3.25Å; C205-H209 PolarHBondContact O-N 3.45Å |
| 206 | Q | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.9 | -43.3 | 177.9 | -72.3 | 175.6 | -0.7 | 0 | 0 | 112.2 | D44 W51 T202 H209 N210 L211 L213 | D44-Q206 PolarHBondContact OD1-NE2 3.44Å; D44-Q206 PolarHBondContact OD2-NE2 3.27Å; W51-Q206 HydrophobicContact CZ2-CG 4.04Å; T202-Q206 VanDerWaalsContact O-CG 3.3Å; T202-Q206 WeakPolarHBondContact O-CG 3.42Å; T202-Q206 PolarHBondContact O-N 3.18Å; Q206-H209 CarbonylContact O-C 3.59Å; Q206-H209 PolarHBondContact O-N 2.87Å; Q206-N210 PolarHBondContact O-N 3.24Å; Q206-L211 HydrophobicContact CB-CB 4.07Å; Q206-L211 HydrophobicContact CB-CD1 4.38Å; Q206-L211 HydrophobicContact CG-CB 4.48Å; Q206-L211 HydrophobicContact CG-CD1 4.05Å; Q206-L211 PolarHBondContact O-N 3.19Å; Q206-L213 HydrophobicContact CB-CD2 3.5Å |
| 207 | R | 97.1 | Very high | 96.6 | Very high | 125 Ų | 125 | 51.8 Ų | 51.8 | 47% | 0.472 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.1 | -44.4 | 177.8 | -173.5 | 173.6 | 61.7 | 175.7 | -1.9 | 112.5 | L203 T204 C205 H209 N210 L213 | L203-R207 VanDerWaalsContact O-CB 3.29Å; L203-R207 WeakPolarHBondContact O-CB 3.35Å; L203-R207 PolarHBondContact O-N 2.83Å; T204-R207 PolarHBondContact O-N 2.9Å; C205-R207 VanDerWaalsContact C-N 3.28Å; C205-R207 PolarHBondContact O-N 2.72Å; R207-H209 PolarHBondContact O-N 3.14Å; R207-N210 PolarHBondContact O-N 3.29Å; R207-L213 HydrophobicContact CB-CD1 4.19Å; R207-L213 HydrophobicContact CG-CD1 4.49Å |
| 208 | I | 97.4 | Very high | 96.9 | Very high | 65 Ų | 65 | 52.4 Ų | 52.4 | 33% | 0.333 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.3 | -36.5 | 178.1 | -71 | 166.5 | 0 | 0 | 0 | 110.7 | L61 T204 C205 N210 Y304 | L61-I208 HydrophobicContact CD2-CG2 3.65Å; T204-I208 HydrophobicContact CG2-CD1 3.86Å; T204-I208 VanDerWaalsContact O-CG1 3.29Å; T204-I208 WeakPolarHBondContact O-CG1 3.29Å; T204-I208 PolarHBondContact O-N 2.77Å; C205-I208 PolarHBondContact O-N 2.96Å; I208-N210 VanDerWaalsContact C-N 3.31Å; I208-N210 PolarHBondContact O-N 2.79Å; I208-Y304 HydrophobicContact CD1-CE2 4.06Å |
| 209 | H | 97.9 | Very high | 97 | Very high | 58 Ų | 58 | 54.4 Ų | 54.4 | 27% | 0.269 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 18.6 | -179.2 | -71 | -89.3 | 0 | 0 | 0 | 113.7 | D34 W51 T59 C205 Q206 R207 L211 | D34-H209 IonicContact OD1-CD2 3.9Å; D34-H209 IonicContact OD1-CE1 3.35Å; D34-H209 PolarHBondContact OD1-CE1 3.16Å; D34-H209 IonicContact OD1-NE2 2.71Å; D34-H209 PolarHBondContact OD1-NE2 3.47Å; D34-H209 IonicContact OD2-NE2 3.83Å; W51-H209 HydrophobicContact CH2-CB 4.09Å; W51-H209 AromaticContact CH2-CD2 3.97Å; W51-H209 HydrophobicContact CZ3-CB 4.08Å; W51-H209 AromaticContact CZ3-CD2 3.64Å; W51-H209 AromaticContact CZ3-CG 3.7Å; T59-H209 VanDerWaalsContact CG2-CE1 3.43Å; T59-H209 WeakPolarHBondContact CG2-CE1 3.43Å; C205-H209 PolarHBondContact O-CD2 2.7Å; C205-H209 VanDerWaalsContact O-CD2 3.25Å; C205-H209 PolarHBondContact O-N 3.45Å; Q206-H209 CarbonylContact O-C 3.59Å; Q206-H209 PolarHBondContact O-N 2.87Å; R207-H209 PolarHBondContact O-N 3.14Å; H209-L211 PolarHBondContact O-N 3.21Å |
| 210 | N | 97.5 | Very high | 97.1 | Very high | 150 Ų | 150 | 60.3 Ų | 60.3 | 80% | 0.802 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 26.7 | 176.5 | -58.9 | -50.3 | 0 | 0 | 0 | 114.8 | Q206 R207 I208 | Q206-N210 PolarHBondContact O-N 3.24Å; R207-N210 PolarHBondContact O-N 3.29Å; I208-N210 VanDerWaalsContact C-N 3.31Å; I208-N210 PolarHBondContact O-N 2.79Å |
| 211 | L | 97 | Very high | 97.1 | Very high | 47 Ų | 47 | 60.9 Ų | 60.9 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | trans | -72.3 | 143.9 | 171.6 | -63.9 | -176.5 | 0 | 0 | 0 | 109.9 | V50 W51 Q206 H209 L213 | V50-L211 HydrophobicContact CG2-CD1 3.87Å; W51-L211 HydrophobicContact CH2-CD1 4.3Å; W51-L211 HydrophobicContact CZ2-CD1 3.87Å; Q206-L211 HydrophobicContact CB-CB 4.07Å; Q206-L211 HydrophobicContact CB-CD1 4.38Å; Q206-L211 HydrophobicContact CG-CB 4.48Å; Q206-L211 HydrophobicContact CG-CD1 4.05Å; Q206-L211 PolarHBondContact O-N 3.19Å; H209-L211 PolarHBondContact O-N 3.21Å; L211-L213 PolarHBondContact O-N 2.9Å; L211-L213 VanDerWaalsContact O-N 3.07Å | ||
| 212 | T | 97.2 | Very high | 97.1 | Very high | 119 Ų | 119 | 61.1 Ų | 61.1 | 73% | 0.73 | 31% | 0.31 | S | S | * | . | trans | -68.3 | 110.8 | 178 | -62.4 | 0 | 0 | 0 | 0 | 109.2 | H46 | H46-T212 PolarHBondContact NE2-O 3.08Š| ||
| 213 | L | 97.5 | Very high | 97 | Very high | 38 Ų | 38 | 64.9 Ų | 64.9 | 20% | 0.199 | 33% | 0.327 | C | S | . | . | trans | -71.4 | 151.6 | 177.1 | -58.5 | -175.8 | 0 | 0 | 0 | 111 | L203 Q206 R207 L211 A217 L222 | L203-L213 HydrophobicContact CD2-CD2 4.22Å; Q206-L213 HydrophobicContact CB-CD2 3.5Å; R207-L213 HydrophobicContact CB-CD1 4.19Å; R207-L213 HydrophobicContact CG-CD1 4.49Å; L211-L213 PolarHBondContact O-N 2.9Å; L211-L213 VanDerWaalsContact O-N 3.07Å; L213-A217 HydrophobicContact CB-CB 4.16Å; L213-A217 HydrophobicContact CD1-CB 4.45Å; L213-L222 HydrophobicContact CD1-CD1 3.94Å | ||
| 214 | P | 96.7 | Very high | 96.8 | Very high | 22 Ų | 22 | 66.9 Ų | 66.9 | 14% | 0.143 | 34% | 0.339 | C | S | . | . | trans | -57.3 | 148.5 | 171.4 | -24.5 | 34.2 | 0 | 0 | 0 | 112.4 | Y41 P45 W216 A217 | Y41-P214 WeakPolarHBondContact OH-CG 3.35Å; P45-P214 HydrophobicContact CG-CG 4.09Å; P214-W216 VanDerWaalsContact CB-CD1 3.43Å; P214-W216 HydrophobicContact CB-CD2 4.4Å; P214-W216 HydrophobicContact CB-CG 4.19Å; P214-W216 HydrophobicContact CG-CZ2 4.36Å; P214-W216 PolarHBondContact O-N 3.23Å; P214-A217 WeakPolarHBondContact O-CB 3.46Å; P214-A217 PolarHBondContact O-N 3.03Å | ||
| 215 | R | 97 | Very high | 96.7 | Very high | 249 Ų | 249 | 65.7 Ų | 65.7 | 94% | 0.94 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -28.1 | -178.2 | -68.3 | -175.9 | 178 | 176.2 | -0.6 | 114.7 | A217 | R215-A217 VanDerWaalsContact C-N 3.34Š|
| 216 | W | 96.8 | Very high | 96.5 | Very high | 42 Ų | 42 | 70.1 Ų | 70.1 | 16% | 0.159 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -19.9 | 179.3 | 63.7 | -100.8 | 0 | 0 | 0 | 113.1 | Y41 L180 H183 T184 V199 L203 P214 T218 V221 | Y41-W216 AromaticContact CE2-CZ2 3.91Å; Y41-W216 HydrophobicContact CE2-CZ2 3.91Å; Y41-W216 AromaticContact CZ-CZ2 3.76Å; L180-W216 HydrophobicContact CD1-CE3 4.48Å; L180-W216 HydrophobicContact CD1-CH2 4.01Å; L180-W216 HydrophobicContact CD1-CZ3 3.65Å; H183-W216 HydrophobicContact CB-CD2 3.66Å; H183-W216 HydrophobicContact CB-CE3 4.15Å; H183-W216 HydrophobicContact CB-CG 3.89Å; H183-W216 HydrophobicContact CB-CZ2 4.09Å; H183-W216 AromaticContact CD2-CG 3.96Å; H183-W216 AromaticContact CG-CD1 3.81Å; H183-W216 AromaticContact CG-CD2 3.75Å; H183-W216 AromaticContact CG-CG 3.54Å; H183-W216 AromaticContact ND1-CD1 3.61Å; H183-W216 AromaticContact ND1-CG 3.59Å; T184-W216 HydrophobicContact CG2-CH2 4.12Å; T184-W216 HydrophobicContact CG2-CZ2 4.37Å; V199-W216 HydrophobicContact CG1-CH2 4.26Å; L203-W216 HydrophobicContact CD1-CH2 3.71Å; L203-W216 HydrophobicContact CD1-CZ3 3.99Å; L203-W216 HydrophobicContact CD2-CH2 4.39Å; P214-W216 VanDerWaalsContact CB-CD1 3.43Å; P214-W216 HydrophobicContact CB-CD2 4.4Å; P214-W216 HydrophobicContact CB-CG 4.19Å; P214-W216 HydrophobicContact CG-CZ2 4.36Å; P214-W216 PolarHBondContact O-N 3.23Å; W216-T218 PolarHBondContact O-N 3.15Å; W216-V221 HydrophobicContact CE3-CG1 4.02Å; W216-V221 HydrophobicContact CZ3-CG1 3.97Å; W216-V221 WeakPolarHBondContact O-CG2 3.03Å |
| 217 | A | 97.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 78 Ų | 78 | 8% | 0.083 | 38% | 0.378 | C | S | . | . | trans | -81.5 | 57.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L203 L213 P214 R215 L222 | L203-A217 HydrophobicContact CD1-CB 4.18Å; L203-A217 HydrophobicContact CD2-CB 4.11Å; L213-A217 HydrophobicContact CB-CB 4.16Å; L213-A217 HydrophobicContact CD1-CB 4.45Å; P214-A217 WeakPolarHBondContact O-CB 3.46Å; P214-A217 PolarHBondContact O-N 3.03Å; R215-A217 VanDerWaalsContact C-N 3.34Å; A217-L222 HydrophobicContact CB-CD2 4.43Å | ||
| 218 | T | 96.9 | Very high | 96 | Very high | 56 Ų | 56 | 72.2 Ų | 72.2 | 34% | 0.344 | 36% | 0.357 | S | S | . | . | trans | -67.7 | 163.4 | 177.3 | 67.2 | 0 | 0 | 0 | 0 | 111.3 | W216 D220 V221 L222 | W216-T218 PolarHBondContact O-N 3.15Å; T218-D220 PolarHBondContact O-N 3.46Å; T218-V221 PolarHBondContact O-N 3.23Å; T218-V221 WeakPolarHBondContact OG1-CG2 3.22Å; T218-V221 PolarHBondContact OG1-N 3.04Å; T218-L222 WeakPolarHBondContact O-CG 3.49Å; T218-L222 PolarHBondContact O-N 2.75Å | ||
| 219 | P | 96.6 | Very high | 95.7 | Very high | 106 Ų | 106 | 69.1 Ų | 69.1 | 69% | 0.688 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -51.1 | -42 | 175 | -29.5 | 37.1 | 0 | 0 | 0 | 113.7 | V221 L222 E223 | P219-V221 PolarHBondContact O-N 2.98Å; P219-L222 PolarHBondContact O-N 3.27Å; P219-E223 WeakPolarHBondContact O-CB 3.15Å; P219-E223 PolarHBondContact O-N 2.92Å |
| 220 | D | 96.4 | Very high | 95.4 | Very high | 126 Ų | 126 | 67 Ų | 67 | 67% | 0.674 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.1 | -38.3 | 178.1 | -63.4 | -30.6 | 0 | 0 | 0 | 112.8 | T218 T224 | T218-D220 PolarHBondContact O-N 3.46Å; D220-T224 VanDerWaalsContact O-CB 3.31Å; D220-T224 WeakPolarHBondContact O-CB 3.27Å; D220-T224 PolarHBondContact O-N 3.11Å; D220-T224 PolarHBondContact O-OG1 2.83Å |
| 221 | V | 96.1 | Very high | 95.2 | Very high | 30 Ų | 30 | 62.8 Ų | 62.8 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.4 | -43.3 | 176.3 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | F176 W216 T218 P219 E223 T224 L225 | F176-V221 HydrophobicContact CE2-CG1 4.25Å; F176-V221 HydrophobicContact CE2-CG2 4.48Å; F176-V221 HydrophobicContact CZ-CG1 4.25Å; W216-V221 HydrophobicContact CE3-CG1 4.02Å; W216-V221 HydrophobicContact CZ3-CG1 3.97Å; W216-V221 WeakPolarHBondContact O-CG2 3.03Å; T218-V221 PolarHBondContact O-N 3.23Å; T218-V221 WeakPolarHBondContact OG1-CG2 3.22Å; T218-V221 PolarHBondContact OG1-N 3.04Å; P219-V221 PolarHBondContact O-N 2.98Å; V221-E223 VanDerWaalsContact C-N 3.35Å; V221-T224 PolarHBondContact O-N 3.48Å; V221-L225 HydrophobicContact CG1-CD1 4.22Å; V221-L225 HydrophobicContact CG1-CG 4.49Å; V221-L225 WeakPolarHBondContact O-CB 3.36Å; V221-L225 WeakPolarHBondContact O-CG 3.26Å; V221-L225 PolarHBondContact O-N 2.75Å |
| 222 | L | 96.1 | Very high | 94.9 | Very high | 14 Ų | 14 | 60.9 Ų | 60.9 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 176.7 | -66.5 | 175.2 | 0 | 0 | 0 | 111.6 | L203 L213 A217 T218 P219 L225 R226 | L203-L222 HydrophobicContact CB-CD2 3.82Å; L203-L222 HydrophobicContact CD1-CD2 3.78Å; L203-L222 HydrophobicContact CG-CD2 4.41Å; L213-L222 HydrophobicContact CD1-CD1 3.94Å; A217-L222 HydrophobicContact CB-CD2 4.43Å; T218-L222 WeakPolarHBondContact O-CG 3.49Å; T218-L222 PolarHBondContact O-N 2.75Å; P219-L222 PolarHBondContact O-N 3.27Å; L222-L225 PolarHBondContact O-N 2.69Å; L222-R226 WeakPolarHBondContact O-CB 3.17Å; L222-R226 PolarHBondContact O-N 2.83Å |
| 223 | E | 94.9 | Very high | 94.6 | Very high | 79 Ų | 79 | 56.4 Ų | 56.4 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 176.8 | 178.8 | 52.9 | -154.4 | 0 | 0 | 111.7 | P219 V221 R226 R227 | P219-E223 WeakPolarHBondContact O-CB 3.15Å; P219-E223 PolarHBondContact O-N 2.92Å; V221-E223 VanDerWaalsContact C-N 3.35Å; E223-R226 WeakPolarHBondContact O-CB 3.39Å; E223-R226 PolarHBondContact O-N 2.87Å; E223-R226 IonicContact OE1-CZ 3.45Å; E223-R226 IonicContact OE1-NE 3.09Å; E223-R226 IonicContact OE1-NH2 3.3Å; E223-R226 PolarHBondContact OE1-NH2 3.37Å; E223-R226 IonicContact OE2-CZ 4Å; E223-R226 IonicContact OE2-NE 2.83Å; E223-R226 PolarHBondContact OE2-NE 2.92Å; E223-R226 IonicContact OE2-NH2 3.88Å; E223-R226 PolarHBondContact OE2-NH2 2.91Å; E223-R227 WeakPolarHBondContact O-CG 3.34Å; E223-R227 PolarHBondContact O-N 3.46Å; E223-R227 WeakPolarHBondContact OE1-CG 3.41Å |
| 224 | T | 94.6 | Very high | 94.3 | Very high | 43 Ų | 43 | 56 Ų | 56 | 26% | 0.264 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 174.9 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | F176 D220 V221 R226 R227 I228 | F176-T224 HydrophobicContact CD1-CG2 4.08Å; F176-T224 HydrophobicContact CD2-CG2 3.7Å; F176-T224 HydrophobicContact CE1-CG2 3.94Å; F176-T224 HydrophobicContact CE2-CG2 3.54Å; F176-T224 HydrophobicContact CG-CG2 3.97Å; F176-T224 HydrophobicContact CZ-CG2 3.67Å; D220-T224 VanDerWaalsContact O-CB 3.31Å; D220-T224 WeakPolarHBondContact O-CB 3.27Å; D220-T224 PolarHBondContact O-N 3.11Å; D220-T224 PolarHBondContact O-OG1 2.83Å; V221-T224 PolarHBondContact O-N 3.48Å; T224-R226 VanDerWaalsContact C-N 3.34Å; T224-R226 PolarHBondContact O-N 3.34Å; T224-R227 PolarHBondContact O-N 2.87Å; T224-I228 HydrophobicContact CG2-CD1 3.88Å; T224-I228 WeakPolarHBondContact O-CG1 3.37Å; T224-I228 PolarHBondContact O-N 2.75Å |
| 225 | L | 94.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.8 | -46.2 | 173.5 | -82.5 | 174.4 | 0 | 0 | 0 | 111.5 | F176 L180 I196 V199 H200 L203 V221 L222 I228 A229 | F176-L225 HydrophobicContact CE1-CD2 4.03Å; F176-L225 HydrophobicContact CE1-CG 4.38Å; F176-L225 HydrophobicContact CZ-CD2 4.13Å; F176-L225 HydrophobicContact CZ-CG 4Å; L180-L225 HydrophobicContact CD1-CD2 4.35Å; L180-L225 HydrophobicContact CD2-CD2 3.69Å; I196-L225 HydrophobicContact CD1-CD2 4.3Å; I196-L225 HydrophobicContact CG1-CD2 3.8Å; V199-L225 HydrophobicContact CG1-CD1 4.09Å; V199-L225 HydrophobicContact CG1-CD2 4.39Å; H200-L225 HydrophobicContact CB-CB 4.17Å; L203-L225 HydrophobicContact CD1-CD1 3.59Å; V221-L225 HydrophobicContact CG1-CD1 4.22Å; V221-L225 HydrophobicContact CG1-CG 4.49Å; V221-L225 WeakPolarHBondContact O-CB 3.36Å; V221-L225 WeakPolarHBondContact O-CG 3.26Å; V221-L225 PolarHBondContact O-N 2.75Å; L222-L225 PolarHBondContact O-N 2.69Å; L225-I228 PolarHBondContact O-N 3.16Å; L225-A229 WeakPolarHBondContact O-CB 3.47Å; L225-A229 PolarHBondContact O-N 2.9Å |
| 226 | R | 92.8 | Very high | 93.9 | Very high | 94 Ų | 94 | 45.2 Ų | 45.2 | 36% | 0.355 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.5 | -47.7 | 178.2 | -171.5 | -171.9 | 71.9 | 82.3 | -1 | 111.2 | H200 L222 E223 T224 A229 S230 | H200-R226 VanDerWaalsContact CD2-CA 3.46Å; H200-R226 WeakPolarHBondContact CD2-CA 3.38Å; H200-R226 PolarHBondContact CD2-N 3.48Å; L222-R226 WeakPolarHBondContact O-CB 3.17Å; L222-R226 PolarHBondContact O-N 2.83Å; E223-R226 WeakPolarHBondContact O-CB 3.39Å; E223-R226 PolarHBondContact O-N 2.87Å; E223-R226 IonicContact OE1-CZ 3.45Å; E223-R226 IonicContact OE1-NE 3.09Å; E223-R226 IonicContact OE1-NH2 3.3Å; E223-R226 PolarHBondContact OE1-NH2 3.37Å; E223-R226 IonicContact OE2-CZ 4Å; E223-R226 IonicContact OE2-NE 2.83Å; E223-R226 PolarHBondContact OE2-NE 2.92Å; E223-R226 IonicContact OE2-NH2 3.88Å; E223-R226 PolarHBondContact OE2-NH2 2.91Å; T224-R226 VanDerWaalsContact C-N 3.34Å; T224-R226 PolarHBondContact O-N 3.34Å; R226-A229 PolarHBondContact O-N 2.95Å; R226-S230 WeakPolarHBondContact O-CB 3.35Å; R226-S230 PolarHBondContact O-N 3.42Å |
| 227 | R | 92.5 | Very high | 93.7 | Very high | 164 Ų | 164 | 44 Ų | 44 | 62% | 0.619 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.7 | -45.1 | 178.5 | -72.3 | 177.9 | 67.3 | -158.4 | 0.8 | 112.1 | E223 T224 F231 | E223-R227 WeakPolarHBondContact O-CG 3.34Å; E223-R227 PolarHBondContact O-N 3.46Å; E223-R227 WeakPolarHBondContact OE1-CG 3.41Å; T224-R227 PolarHBondContact O-N 2.87Å; R227-F231 WeakPolarHBondContact O-CB 3.11Å; R227-F231 PolarHBondContact O-N 3.22Å |
| 228 | I | 92.5 | Very high | 93.5 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66 | -45 | 177.7 | -64.3 | 166.8 | 0 | 0 | 0 | 110.6 | F169 H173 F176 I196 T224 L225 S230 F231 E232 | F169-I228 HydrophobicContact CE1-CG2 4.09Å; F169-I228 HydrophobicContact CZ-CB 4.43Å; F169-I228 HydrophobicContact CZ-CG1 4.13Å; F169-I228 HydrophobicContact CZ-CG2 4.22Å; H173-I228 HydrophobicContact CB-CD1 4.32Å; F176-I228 HydrophobicContact CD1-CD1 3.51Å; F176-I228 HydrophobicContact CE1-CD1 3.64Å; F176-I228 HydrophobicContact CG-CD1 4.42Å; I196-I228 HydrophobicContact CD1-CB 4.19Å; I196-I228 HydrophobicContact CD1-CD1 4.02Å; I196-I228 HydrophobicContact CD1-CG2 3.57Å; I196-I228 HydrophobicContact CG1-CG2 4.13Å; I196-I228 HydrophobicContact CG2-CG2 4.12Å; T224-I228 HydrophobicContact CG2-CD1 3.88Å; T224-I228 WeakPolarHBondContact O-CG1 3.37Å; T224-I228 PolarHBondContact O-N 2.75Å; L225-I228 PolarHBondContact O-N 3.16Å; I228-S230 PolarHBondContact O-N 2.68Å; I228-F231 PolarHBondContact O-N 2.82Å; I228-E232 HydrophobicContact CG2-CG 4.09Å; I228-E232 WeakPolarHBondContact O-CB 3.22Å; I228-E232 WeakPolarHBondContact O-CG 3.34Å; I228-E232 PolarHBondContact O-N 3.23Å |
| 229 | A | 91.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | W197 H200 L225 R226 E232 V233 | W197-A229 HydrophobicContact CB-CB 4.43Å; H200-A229 HydrophobicContact CB-CB 4.15Å; L225-A229 WeakPolarHBondContact O-CB 3.47Å; L225-A229 PolarHBondContact O-N 2.9Å; R226-A229 PolarHBondContact O-N 2.95Å; A229-E232 PolarHBondContact O-N 3.25Å; A229-V233 WeakPolarHBondContact O-CG2 3.38Å; A229-V233 PolarHBondContact O-N 3.28Å; A229-V233 VanDerWaalsContact O-N 3.11Å |
| 230 | S | 91.3 | Very high | 93.1 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 175.3 | -142.9 | 0 | 0 | 0 | 0 | 111.3 | R226 I228 T234 G299 | R226-S230 WeakPolarHBondContact O-CB 3.35Å; R226-S230 PolarHBondContact O-N 3.42Å; I228-S230 PolarHBondContact O-N 2.68Å; S230-T234 VanDerWaalsContact O-CB 3.22Å; S230-T234 WeakPolarHBondContact O-CB 3.39Å; S230-T234 PolarHBondContact O-N 3.23Å; S230-T234 PolarHBondContact O-OG1 3.07Å; S230-G299 PolarHBondContact OG-O 2.78Å |
| 231 | F | 92.4 | Very high | 93.1 | Very high | 61 Ų | 61 | 42.3 Ų | 42.3 | 27% | 0.268 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.3 | -49.7 | 175.6 | 174.3 | -89.7 | 0 | 0 | 0 | 111.3 | Y166 F169 R227 I228 V233 T234 Y235 | Y166-F231 HydrophobicContact CD2-CE1 4.18Å; Y166-F231 HydrophobicContact CE2-CE1 4.41Å; F169-F231 HydrophobicContact CB-CE1 3.84Å; F169-F231 HydrophobicContact CB-CZ 3.82Å; F169-F231 AromaticContact CD1-CD1 3.54Å; F169-F231 HydrophobicContact CD1-CD1 3.54Å; F169-F231 AromaticContact CD1-CE1 3.29Å; F169-F231 HydrophobicContact CD1-CE1 3.29Å; F169-F231 HydrophobicContact CD1-CZ 4.1Å; F169-F231 AromaticContact CD2-CD1 3.72Å; F169-F231 HydrophobicContact CD2-CD1 3.72Å; F169-F231 HydrophobicContact CD2-CD2 4.02Å; F169-F231 AromaticContact CD2-CE1 3.52Å; F169-F231 HydrophobicContact CD2-CE1 3.52Å; F169-F231 AromaticContact CD2-CE2 3.82Å; F169-F231 HydrophobicContact CD2-CE2 3.82Å; F169-F231 AromaticContact CD2-CG 3.97Å; F169-F231 HydrophobicContact CD2-CG 3.97Å; F169-F231 AromaticContact CD2-CZ 3.56Å; F169-F231 HydrophobicContact CD2-CZ 3.56Å; F169-F231 AromaticContact CE1-CD1 3.31Å; F169-F231 HydrophobicContact CE1-CD1 3.31Å; F169-F231 AromaticContact CE1-CE1 3.64Å; F169-F231 HydrophobicContact CE1-CE1 3.64Å; F169-F231 HydrophobicContact CE1-CG 4.11Å; F169-F231 HydrophobicContact CE2-CB 4.06Å; F169-F231 AromaticContact CE2-CD1 3.48Å; F169-F231 HydrophobicContact CE2-CD1 3.48Å; F169-F231 VanDerWaalsContact CE2-CD1 3.48Å; F169-F231 AromaticContact CE2-CD2 3.83Å; F169-F231 HydrophobicContact CE2-CD2 3.83Å; F169-F231 AromaticContact CE2-CE1 3.82Å; F169-F231 HydrophobicContact CE2-CE1 3.82Å; F169-F231 HydrophobicContact CE2-CE2 4.12Å; F169-F231 AromaticContact CE2-CG 3.48Å; F169-F231 HydrophobicContact CE2-CG 3.48Å; F169-F231 VanDerWaalsContact CE2-CG 3.48Å; F169-F231 HydrophobicContact CE2-CZ 4.12Å; F169-F231 AromaticContact CG-CD1 3.75Å; F169-F231 HydrophobicContact CG-CD1 3.75Å; F169-F231 AromaticContact CG-CE1 3.24Å; F169-F231 HydrophobicContact CG-CE1 3.24Å; F169-F231 HydrophobicContact CG-CE2 4.29Å; F169-F231 HydrophobicContact CG-CG 4.46Å; F169-F231 AromaticContact CG-CZ 3.55Å; F169-F231 HydrophobicContact CG-CZ 3.55Å; F169-F231 HydrophobicContact CZ-CB 3.89Å; F169-F231 AromaticContact CZ-CD1 3.28Å; F169-F231 HydrophobicContact CZ-CD1 3.28Å; F169-F231 HydrophobicContact CZ-CD2 4.38Å; F169-F231 AromaticContact CZ-CE1 3.88Å; F169-F231 HydrophobicContact CZ-CE1 3.88Å; F169-F231 AromaticContact CZ-CG 3.57Å; F169-F231 HydrophobicContact CZ-CG 3.57Å; R227-F231 WeakPolarHBondContact O-CB 3.11Å; R227-F231 PolarHBondContact O-N 3.22Å; I228-F231 PolarHBondContact O-N 2.82Å; F231-V233 VanDerWaalsContact C-N 3.33Å; F231-V233 PolarHBondContact O-N 2.87Å; F231-T234 PolarHBondContact O-N 3.44Å; F231-Y235 HydrophobicContact CE1-CD2 4.12Å; F231-Y235 HydrophobicContact CE1-CG 4.06Å; F231-Y235 AromaticContact CE2-CD2 3.83Å; F231-Y235 HydrophobicContact CE2-CD2 3.83Å; F231-Y235 HydrophobicContact CE2-CG 4.44Å; F231-Y235 AromaticContact CZ-CD2 3.4Å; F231-Y235 HydrophobicContact CZ-CD2 3.4Å; F231-Y235 VanDerWaalsContact CZ-CD2 3.4Å; F231-Y235 HydrophobicContact CZ-CE2 4.08Å; F231-Y235 AromaticContact CZ-CG 3.82Å; F231-Y235 HydrophobicContact CZ-CG 3.82Å; F231-Y235 WeakPolarHBondContact O-CB 3.4Å; F231-Y235 PolarHBondContact O-N 3.38Å |
| 232 | E | 91.2 | Very high | 93 | Very high | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.1 | -49.1 | -179.8 | -74.9 | -85 | -161.5 | 0 | 0 | 111.1 | Y166 G193 I196 I228 A229 S236 | Y166-E232 VanDerWaalsContact CE2-OE2 3.22Å; Y166-E232 WeakPolarHBondContact CE2-OE2 3.48Å; Y166-E232 PolarHBondContact OH-OE1 2.99Å; Y166-E232 PolarHBondContact OH-OE2 2.76Å; G193-E232 WeakPolarHBondContact CA-OE2 3.12Å; G193-E232 PolarHBondContact N-OE1 2.95Å; I196-E232 HydrophobicContact CG2-CG 4.18Å; I228-E232 HydrophobicContact CG2-CG 4.09Å; I228-E232 WeakPolarHBondContact O-CB 3.22Å; I228-E232 WeakPolarHBondContact O-CG 3.34Å; I228-E232 PolarHBondContact O-N 3.23Å; A229-E232 PolarHBondContact O-N 3.25Å; E232-S236 WeakPolarHBondContact O-CB 3.43Å; E232-S236 PolarHBondContact O-N 3.38Å; E232-S236 PolarHBondContact O-OG 2.65Å |
| 233 | V | 90.9 | Very high | 93 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.2 | -51.1 | 177.9 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | A229 F231 Y235 S236 I237 I288 L301 | A229-V233 WeakPolarHBondContact O-CG2 3.38Å; A229-V233 PolarHBondContact O-N 3.28Å; A229-V233 VanDerWaalsContact O-N 3.11Å; F231-V233 VanDerWaalsContact C-N 3.33Å; F231-V233 PolarHBondContact O-N 2.87Å; V233-Y235 PolarHBondContact O-N 2.85Å; V233-S236 PolarHBondContact O-N 3.17Å; V233-S236 PolarHBondContact O-OG 3.41Å; V233-I237 PolarHBondContact O-N 2.99Å; V233-I288 HydrophobicContact CG1-CD1 3.53Å; V233-I288 HydrophobicContact CG1-CG1 4.36Å; V233-I288 HydrophobicContact CG1-CG2 4.11Å; V233-L301 HydrophobicContact CB-CD2 4.09Å; V233-L301 HydrophobicContact CG1-CD2 4.12Å; V233-L301 HydrophobicContact CG2-CD2 3.89Å |
| 234 | T | 92.1 | Very high | 93.1 | Very high | 30 Ų | 30 | 48 Ų | 48 | 18% | 0.184 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -48.2 | -178.3 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | S230 F231 S236 I237 L238 Y297 G299 | S230-T234 VanDerWaalsContact O-CB 3.22Å; S230-T234 WeakPolarHBondContact O-CB 3.39Å; S230-T234 PolarHBondContact O-N 3.23Å; S230-T234 PolarHBondContact O-OG1 3.07Å; F231-T234 PolarHBondContact O-N 3.44Å; T234-S236 VanDerWaalsContact C-N 3.29Å; T234-S236 PolarHBondContact O-N 3.04Å; T234-I237 PolarHBondContact O-N 3.5Å; T234-L238 HydrophobicContact CG2-CD1 3.72Å; T234-L238 HydrophobicContact CG2-CG 4.25Å; T234-L238 WeakPolarHBondContact O-CB 3.41Å; T234-L238 PolarHBondContact O-N 2.9Å; T234-Y297 HydrophobicContact CG2-CE1 4.41Å; T234-G299 WeakPolarHBondContact OG1-CA 3.19Å; T234-G299 PolarHBondContact OG1-O 3.49Å |
| 235 | Y | 93.2 | Very high | 93.2 | Very high | 29 Ų | 29 | 46 Ų | 46 | 11% | 0.114 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -41 | 179 | -163.9 | -87.5 | 0 | 0 | 0 | 110.9 | T160 S163 P165 Y166 F231 V233 I237 S239 | T160-Y235 HydrophobicContact CG2-CD1 3.67Å; T160-Y235 HydrophobicContact CG2-CE1 3.61Å; S163-Y235 PolarHBondContact OG-OH 3.28Å; P165-Y235 WeakPolarHBondContact CB-OH 3.45Å; Y166-Y235 AromaticContact CD2-CD1 3.68Å; Y166-Y235 HydrophobicContact CD2-CD1 3.68Å; Y166-Y235 AromaticContact CD2-CE1 3.92Å; Y166-Y235 HydrophobicContact CD2-CE1 3.92Å; Y166-Y235 HydrophobicContact CD2-CG 4.32Å; Y166-Y235 HydrophobicContact CG-CD1 4.34Å; Y166-Y235 HydrophobicContact CG-CE1 4.14Å; Y166-Y235 PolarHBondContact N-OH 3.19Å; F231-Y235 HydrophobicContact CE1-CD2 4.12Å; F231-Y235 HydrophobicContact CE1-CG 4.06Å; F231-Y235 AromaticContact CE2-CD2 3.83Å; F231-Y235 HydrophobicContact CE2-CD2 3.83Å; F231-Y235 HydrophobicContact CE2-CG 4.44Å; F231-Y235 AromaticContact CZ-CD2 3.4Å; F231-Y235 HydrophobicContact CZ-CD2 3.4Å; F231-Y235 VanDerWaalsContact CZ-CD2 3.4Å; F231-Y235 HydrophobicContact CZ-CE2 4.08Å; F231-Y235 AromaticContact CZ-CG 3.82Å; F231-Y235 HydrophobicContact CZ-CG 3.82Å; F231-Y235 WeakPolarHBondContact O-CB 3.4Å; F231-Y235 PolarHBondContact O-N 3.38Å; V233-Y235 PolarHBondContact O-N 2.85Å; Y235-I237 PolarHBondContact O-N 3.39Å; Y235-S239 WeakPolarHBondContact CD2-OG 3.25Å; Y235-S239 WeakPolarHBondContact CE2-OG 3.37Å; Y235-S239 VanDerWaalsContact O-CB 3.22Å; Y235-S239 WeakPolarHBondContact O-CB 3.42Å; Y235-S239 PolarHBondContact O-N 2.92Å; Y235-S239 VanDerWaalsContact O-N 3.16Å |
| 236 | S | 91.9 | Very high | 93.4 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 11% | 0.105 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -30.7 | -179.5 | 82.8 | 0 | 0 | 0 | 0 | 113.8 | E232 V233 T234 K245 | E232-S236 WeakPolarHBondContact O-CB 3.43Å; E232-S236 PolarHBondContact O-N 3.38Å; E232-S236 PolarHBondContact O-OG 2.65Å; V233-S236 PolarHBondContact O-N 3.17Å; V233-S236 PolarHBondContact O-OG 3.41Å; T234-S236 VanDerWaalsContact C-N 3.29Å; T234-S236 PolarHBondContact O-N 3.04Å; S236-K245 PolarHBondContact O-NZ 2.87Å |
| 237 | I | 92.6 | Very high | 93.6 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 8% | 0.082 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -102.9 | -46.3 | -176.5 | -60 | -53.5 | 0 | 0 | 0 | 112.5 | F153 V233 T234 Y235 I288 T289 A292 | F153-I237 HydrophobicContact CZ-CD1 4.39Å; V233-I237 PolarHBondContact O-N 2.99Å; T234-I237 PolarHBondContact O-N 3.5Å; Y235-I237 PolarHBondContact O-N 3.39Å; I237-I288 HydrophobicContact CG1-CG2 4.07Å; I237-T289 HydrophobicContact CD1-CG2 3.94Å; I237-T289 HydrophobicContact CG1-CG2 4.39Å; I237-A292 HydrophobicContact CG2-CB 3.35Å |
| 238 | L | 93.4 | Very high | 93.8 | Very high | 54 Ų | 54 | 36 Ų | 36 | 28% | 0.283 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -86.4 | -28.7 | -172.9 | -61.4 | -172.1 | 0 | 0 | 0 | 113.9 | T234 R242 A292 Y297 | T234-L238 HydrophobicContact CG2-CD1 3.72Å; T234-L238 HydrophobicContact CG2-CG 4.25Å; T234-L238 WeakPolarHBondContact O-CB 3.41Å; T234-L238 PolarHBondContact O-N 2.9Å; L238-R242 HydrophobicContact CD2-CG 4.34Å; L238-A292 HydrophobicContact CD2-CB 3.61Å; L238-Y297 HydrophobicContact CD1-CD1 4.01Å; L238-Y297 HydrophobicContact CD2-CD1 4.44Å; L238-Y297 HydrophobicContact CG-CD1 4.24Å |
| 239 | S | 91.4 | Very high | 94 | Very high | 35 Ų | 35 | 36.3 Ų | 36.3 | 25% | 0.245 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -85.8 | 151.9 | 179.7 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | Y235 K245 | Y235-S239 WeakPolarHBondContact CD2-OG 3.25Å; Y235-S239 WeakPolarHBondContact CE2-OG 3.37Å; Y235-S239 VanDerWaalsContact O-CB 3.22Å; Y235-S239 WeakPolarHBondContact O-CB 3.42Å; Y235-S239 PolarHBondContact O-N 2.92Å; Y235-S239 VanDerWaalsContact O-N 3.16Å; S239-K245 PolarHBondContact O-NZ 3.41Å |
| 240 | H | 93.1 | Very high | 94.2 | Very high | 75 Ų | 75 | 36.4 Ų | 36.4 | 35% | 0.347 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 53.3 | 103.7 | 177.4 | -170.5 | 67.8 | 0 | 0 | 0 | 114.6 | E159 T160 R242 K245 | E159-H240 VanDerWaalsContact CB-NE2 3.34Å; E159-H240 WeakPolarHBondContact CB-NE2 3.08Å; E159-H240 IonicContact OE2-CD2 3.36Å; E159-H240 IonicContact OE2-CE1 3.23Å; E159-H240 IonicContact OE2-NE2 3.28Å; E159-H240 PolarHBondContact OE2-NE2 3.33Å; T160-H240 HydrophobicContact CG2-CB 4.47Å; H240-R242 PolarHBondContact O-N 3.49Å; H240-K245 WeakPolarHBondContact O-CE 3.18Å; H240-K245 PolarHBondContact O-NZ 2.79Å |
| 241 | K | 95.4 | Very high | 94.5 | Very high | 99 Ų | 99 | 35.8 Ų | 35.8 | 43% | 0.43 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 54.9 | 45.1 | 175.4 | -59.2 | 178.6 | 152.5 | -123.6 | 0 | 114.1 | L156 R243 E244 K245 | L156-K241 HydrophobicContact CD2-CB 4.05Å; L156-K241 HydrophobicContact CD2-CD 3.5Å; L156-K241 HydrophobicContact CD2-CG 4.39Å; K241-R243 VanDerWaalsContact C-N 3.31Å; K241-R243 PolarHBondContact O-N 3.23Å; K241-E244 HydrophobicContact CB-CB 4.16Å; K241-E244 WeakPolarHBondContact CD-OE2 3.31Å; K241-E244 IonicContact NZ-OE2 2.8Å; K241-E244 PolarHBondContact NZ-OE2 2.93Å; K241-E244 PolarHBondContact O-N 2.83Å; K241-E244 VanDerWaalsContact O-N 3.1Å; K241-K245 PolarHBondContact O-N 3.04Å |
| 242 | R | 95.1 | Very high | 94.8 | Very high | 44 Ų | 44 | 34.2 Ų | 34.2 | 17% | 0.166 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -43.7 | -51.4 | 178.6 | -176.5 | -174.9 | 69.2 | 80.1 | -11.1 | 113.3 | L238 H240 E244 K245 A246 A292 D295 | L238-R242 HydrophobicContact CD2-CG 4.34Å; H240-R242 PolarHBondContact O-N 3.49Å; R242-E244 PolarHBondContact O-N 2.77Å; R242-K245 WeakPolarHBondContact O-CB 3.21Å; R242-K245 PolarHBondContact O-N 3.15Å; R242-A246 WeakPolarHBondContact O-CB 3.38Å; R242-A246 PolarHBondContact O-N 3.31Å; R242-A292 PolarHBondContact NH1-O 2.9Å; R242-D295 IonicContact CZ-OD1 3.1Å; R242-D295 IonicContact CZ-OD2 3.12Å; R242-D295 IonicContact NE-OD1 3.88Å; R242-D295 PolarHBondContact NE-OD1 3.2Å; R242-D295 IonicContact NH1-OD1 3.32Å; R242-D295 IonicContact NH2-OD1 2.7Å; R242-D295 PolarHBondContact NH2-OD1 2.92Å; R242-D295 IonicContact NH2-OD2 2.75Å; R242-D295 PolarHBondContact NH2-OD2 3.23Å |
| 243 | R | 96.3 | Very high | 95.1 | Very high | 144 Ų | 144 | 34 Ų | 34 | 54% | 0.543 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62 | -43.4 | -176.6 | -67.1 | -174.6 | -178.8 | 151.9 | -0.1 | 112.2 | K241 K245 A246 R247 V360 | K241-R243 VanDerWaalsContact C-N 3.31Å; K241-R243 PolarHBondContact O-N 3.23Å; R243-K245 VanDerWaalsContact C-N 3.34Å; R243-K245 PolarHBondContact O-N 3.42Å; R243-A246 WeakPolarHBondContact O-CB 3.29Å; R243-A246 PolarHBondContact O-N 3.45Å; R243-A246 VanDerWaalsContact O-N 3.14Å; R243-R247 WeakPolarHBondContact O-CG 2.95Å; R243-R247 PolarHBondContact O-N 3.27Å; R243-V360 HydrophobicContact CB-CG1 4.29Å; R243-V360 HydrophobicContact CG-CG1 4.06Å |
| 244 | E | 97.1 | Very high | 95.4 | Very high | 55 Ų | 55 | 32.8 Ų | 32.8 | 26% | 0.257 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 177.2 | -160.7 | -179.8 | 161.3 | 0 | 0 | 111.3 | R152 L156 K241 R242 A246 R247 L248 | R152-E244 IonicContact CZ-OE1 2.8Å; R152-E244 IonicContact NE-OE1 3.74Å; R152-E244 PolarHBondContact NE-OE1 2.69Å; R152-E244 VanDerWaalsContact NH2-CD 3.32Å; R152-E244 IonicContact NH2-OE1 2.72Å; R152-E244 PolarHBondContact NH2-OE1 3.26Å; R152-E244 IonicContact NH2-OE2 2.9Å; R152-E244 PolarHBondContact NH2-OE2 3.47Å; R152-E244 VanDerWaalsContact NH2-OE2 3.16Å; L156-E244 HydrophobicContact CD1-CB 4.17Å; L156-E244 HydrophobicContact CD1-CG 3.93Å; K241-E244 HydrophobicContact CB-CB 4.16Å; K241-E244 WeakPolarHBondContact CD-OE2 3.31Å; K241-E244 IonicContact NZ-OE2 2.8Å; K241-E244 PolarHBondContact NZ-OE2 2.93Å; K241-E244 PolarHBondContact O-N 2.83Å; K241-E244 VanDerWaalsContact O-N 3.1Å; R242-E244 PolarHBondContact O-N 2.77Å; E244-A246 VanDerWaalsContact C-N 3.34Å; E244-A246 PolarHBondContact O-N 3.2Å; E244-R247 PolarHBondContact O-N 3.43Å; E244-L248 WeakPolarHBondContact O-CG 3.23Å; E244-L248 PolarHBondContact O-N 3.29Å |
| 245 | K | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 172.2 | -68.7 | 177 | 179.8 | 173.1 | 0 | 112.3 | F153 L156 T160 S236 S239 H240 K241 R242 R243 L248 S249 | F153-K245 HydrophobicContact CE2-CB 4.05Å; F153-K245 HydrophobicContact CE2-CG 4.28Å; L156-K245 HydrophobicContact CB-CG 4.12Å; L156-K245 HydrophobicContact CD1-CG 3.87Å; T160-K245 WeakPolarHBondContact OG1-CE 3.44Å; T160-K245 PolarHBondContact OG1-NZ 3.42Å; S236-K245 PolarHBondContact O-NZ 2.87Å; S239-K245 PolarHBondContact O-NZ 3.41Å; H240-K245 WeakPolarHBondContact O-CE 3.18Å; H240-K245 PolarHBondContact O-NZ 2.79Å; K241-K245 PolarHBondContact O-N 3.04Å; R242-K245 WeakPolarHBondContact O-CB 3.21Å; R242-K245 PolarHBondContact O-N 3.15Å; R243-K245 VanDerWaalsContact C-N 3.34Å; R243-K245 PolarHBondContact O-N 3.42Å; K245-L248 PolarHBondContact O-N 2.85Å; K245-S249 WeakPolarHBondContact O-CB 3.2Å; K245-S249 PolarHBondContact O-N 2.83Å; K245-S249 VanDerWaalsContact O-N 3.14Å; K245-S249 PolarHBondContact O-OG 3.3Å |
| 246 | A | 97 | Very high | 95.9 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.033 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -46 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | R242 R243 E244 L248 S249 G250 G251 A293 V360 | R242-A246 WeakPolarHBondContact O-CB 3.38Å; R242-A246 PolarHBondContact O-N 3.31Å; R243-A246 WeakPolarHBondContact O-CB 3.29Å; R243-A246 PolarHBondContact O-N 3.45Å; R243-A246 VanDerWaalsContact O-N 3.14Å; E244-A246 VanDerWaalsContact C-N 3.34Å; E244-A246 PolarHBondContact O-N 3.2Å; A246-L248 PolarHBondContact O-N 2.83Å; A246-S249 CarbonylContact O-C 3.58Å; A246-S249 PolarHBondContact O-N 3.38Å; A246-G250 PolarHBondContact O-N 2.69Å; A246-G251 VanDerWaalsContact O-CA 3.3Å; A246-G251 WeakPolarHBondContact O-CA 3.41Å; A246-G251 PolarHBondContact O-N 3.09Å; A246-A293 HydrophobicContact CB-CB 3.9Å; A246-V360 CarbonylContact C-O 3.59Å; A246-V360 HydrophobicContact CB-CB 3.84Å; A246-V360 HydrophobicContact CB-CG1 3.99Å |
| 247 | R | 97.3 | Very high | 96.2 | Very high | 42 Ų | 42 | 31.5 Ų | 31.5 | 16% | 0.158 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -53 | -38.9 | 175.2 | -67.2 | 178.5 | 70.6 | 86.5 | 3.3 | 112.9 | R243 E244 D359 V360 M361 P362 D363 E368 | R243-R247 WeakPolarHBondContact O-CG 2.95Å; R243-R247 PolarHBondContact O-N 3.27Å; E244-R247 PolarHBondContact O-N 3.43Å; R247-D359 VanDerWaalsContact CD-O 3.3Å; R247-D359 WeakPolarHBondContact CD-O 3.19Å; R247-D359 VanDerWaalsContact CG-O 3.31Å; R247-D359 WeakPolarHBondContact CG-O 2.82Å; R247-D359 PolarHBondContact NH1-O 3.46Å; R247-V360 WeakPolarHBondContact CA-O 3.39Å; R247-V360 PolarHBondContact N-O 2.92Å; R247-M361 PolarHBondContact NH1-O 2.73Å; R247-M361 PolarHBondContact NH2-O 3.37Å; R247-P362 WeakPolarHBondContact O-CB 3.3Å; R247-P362 VanDerWaalsContact O-CD 3.3Å; R247-P362 WeakPolarHBondContact O-CD 3.3Å; R247-P362 WeakPolarHBondContact O-CG 3.44Å; R247-D363 IonicContact CZ-OD2 3.35Å; R247-D363 IonicContact NH2-OD2 3.37Å; R247-D363 PolarHBondContact NH2-OD2 3.21Å; R247-E368 IonicContact CZ-OE1 3.62Å; R247-E368 IonicContact CZ-OE2 2.85Å; R247-E368 IonicContact NE-OE1 3.69Å; R247-E368 IonicContact NE-OE2 3.9Å; R247-E368 PolarHBondContact NE-OE2 2.88Å; R247-E368 IonicContact NH2-OE1 3.43Å; R247-E368 PolarHBondContact NH2-OE1 3.25Å; R247-E368 IonicContact NH2-OE2 3.23Å; R247-E368 PolarHBondContact NH2-OE2 2.94Å |
| 248 | L | 96.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -86.3 | -7.9 | -178.8 | -57.5 | 177.7 | 0 | 0 | 0 | 114 | P146 R152 F153 L156 E244 K245 A246 W365 E368 | P146-L248 VanDerWaalsContact CG-O 3.29Å; P146-L248 WeakPolarHBondContact CG-O 3.41Å; R152-L248 HydrophobicContact CB-CD1 3.99Å; R152-L248 HydrophobicContact CG-CD1 3.83Å; F153-L248 HydrophobicContact CB-CB 4.32Å; F153-L248 HydrophobicContact CB-CD1 4Å; F153-L248 HydrophobicContact CD2-CB 3.97Å; F153-L248 HydrophobicContact CD2-CD1 4.46Å; L156-L248 HydrophobicContact CD1-CD1 4Å; E244-L248 WeakPolarHBondContact O-CG 3.23Å; E244-L248 PolarHBondContact O-N 3.29Å; K245-L248 PolarHBondContact O-N 2.85Å; A246-L248 PolarHBondContact O-N 2.83Å; L248-W365 PolarHBondContact O-NE1 3.3Å; L248-E368 HydrophobicContact CD2-CB 3.7Å |
| 249 | S | 95.9 | Very high | 96.4 | Very high | 11 Ų | 11 | 36 Ų | 36 | 8% | 0.077 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | -104.1 | -174.7 | 62.3 | 0 | 0 | 0 | 0 | 112.5 | K245 A246 G251 V252 | K245-S249 WeakPolarHBondContact O-CB 3.2Å; K245-S249 PolarHBondContact O-N 2.83Å; K245-S249 VanDerWaalsContact O-N 3.14Å; K245-S249 PolarHBondContact O-OG 3.3Å; A246-S249 CarbonylContact O-C 3.58Å; A246-S249 PolarHBondContact O-N 3.38Å; S249-G251 PolarHBondContact O-N 3.23Å; S249-G251 VanDerWaalsContact O-N 3.17Å; S249-V252 WeakPolarHBondContact O-CB 3.39Å; S249-V252 WeakPolarHBondContact O-CG2 3.35Å; S249-V252 PolarHBondContact O-N 3.16Å; S249-V252 VanDerWaalsContact O-N 3.08Å |
| 250 | G | 97.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.6 | -23.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A246 V252 L253 L254 T289 | A246-G250 PolarHBondContact O-N 2.69Å; G250-V252 PolarHBondContact O-N 3.4Å; G250-L253 PolarHBondContact O-N 3.16Å; G250-L254 PolarHBondContact O-N 2.92Å; G250-T289 WeakPolarHBondContact CA-O 3.25Å |
| 251 | G | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61 | -28.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A246 S249 L254 N255 V360 | A246-G251 VanDerWaalsContact O-CA 3.3Å; A246-G251 WeakPolarHBondContact O-CA 3.41Å; A246-G251 PolarHBondContact O-N 3.09Å; S249-G251 PolarHBondContact O-N 3.23Å; S249-G251 VanDerWaalsContact O-N 3.17Å; G251-L254 PolarHBondContact O-N 2.9Å; G251-N255 VanDerWaalsContact O-CB 3.29Å; G251-N255 WeakPolarHBondContact O-CB 3.43Å; G251-N255 PolarHBondContact O-N 3.47Å; G251-V360 WeakPolarHBondContact CA-O 3.37Å |
| 252 | V | 97.6 | Very high | 96.4 | Very high | 27 Ų | 27 | 30.2 Ų | 30.2 | 16% | 0.164 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.3 | -47.6 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | K141 L142 S249 G250 N255 A256 P362 W365 | K141-V252 WeakPolarHBondContact O-CG1 3.22Å; L142-V252 HydrophobicContact CD1-CG1 4.24Å; S249-V252 WeakPolarHBondContact O-CB 3.39Å; S249-V252 WeakPolarHBondContact O-CG2 3.35Å; S249-V252 PolarHBondContact O-N 3.16Å; S249-V252 VanDerWaalsContact O-N 3.08Å; G250-V252 PolarHBondContact O-N 3.4Å; V252-N255 PolarHBondContact O-N 3.28Å; V252-A256 PolarHBondContact O-N 3.26Å; V252-A256 VanDerWaalsContact O-N 3.11Å; V252-P362 HydrophobicContact CG2-CG 3.91Å; V252-W365 HydrophobicContact CG2-CG 4.2Å |
| 253 | L | 98.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.5 | -41 | 177.7 | -177.3 | 57.8 | 0 | 0 | 0 | 111.5 | V29 L142 L143 G250 N255 A256 I257 Y280 T286 L290 | V29-L253 HydrophobicContact CG1-CD2 4.09Å; V29-L253 HydrophobicContact CG2-CD2 4.1Å; L142-L253 HydrophobicContact CD1-CB 4.2Å; L142-L253 HydrophobicContact CD1-CD1 3.68Å; L142-L253 HydrophobicContact CG-CD1 4.02Å; L143-L253 HydrophobicContact CD2-CD1 3.89Å; L143-L253 HydrophobicContact CD2-CD2 3.91Å; G250-L253 PolarHBondContact O-N 3.16Å; L253-N255 VanDerWaalsContact C-N 3.35Å; L253-N255 PolarHBondContact O-N 2.94Å; L253-A256 WeakPolarHBondContact O-CB 3.31Å; L253-A256 PolarHBondContact O-N 3.32Å; L253-I257 HydrophobicContact CD1-CD1 4.5Å; L253-I257 HydrophobicContact CG-CD1 4.14Å; L253-I257 VanDerWaalsContact O-CG1 3.32Å; L253-I257 WeakPolarHBondContact O-CG1 3.23Å; L253-I257 PolarHBondContact O-N 2.96Å; L253-Y280 HydrophobicContact CD1-CD2 4.05Å; L253-Y280 HydrophobicContact CD1-CE2 3.9Å; L253-Y280 HydrophobicContact CD1-CG 4.5Å; L253-T286 HydrophobicContact CD2-CG2 3.96Å; L253-L290 HydrophobicContact CB-CD1 4.35Å; L253-L290 HydrophobicContact CD2-CD1 4.3Å; L253-L290 HydrophobicContact CD2-CD2 4.06Å; L253-L290 HydrophobicContact CG-CD1 4.27Å |
| 254 | L | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | 176.8 | -175.3 | 55 | 0 | 0 | 0 | 112.3 | G250 G251 A256 I257 L258 L290 A293 L294 F310 F353 V357 V360 | G250-L254 PolarHBondContact O-N 2.92Å; G251-L254 PolarHBondContact O-N 2.9Å; L254-A256 PolarHBondContact O-N 3.21Å; L254-I257 PolarHBondContact O-N 3.12Å; L254-L258 PolarHBondContact O-N 3.11Å; L254-L290 HydrophobicContact CB-CD1 4.13Å; L254-A293 HydrophobicContact CD2-CB 4.33Å; L254-L294 HydrophobicContact CD1-CD2 3.74Å; L254-L294 HydrophobicContact CD1-CG 4.4Å; L254-L294 HydrophobicContact CD2-CD2 3.88Å; L254-L294 HydrophobicContact CD2-CG 4.27Å; L254-L294 HydrophobicContact CG-CD2 4.49Å; L254-F310 HydrophobicContact CD1-CE1 4.16Å; L254-F353 HydrophobicContact CD1-CE1 4.41Å; L254-F353 HydrophobicContact CD1-CZ 4.09Å; L254-V357 HydrophobicContact CD2-CB 3.74Å; L254-V357 HydrophobicContact CD2-CG1 3.91Å; L254-V357 HydrophobicContact CD2-CG2 4.18Å; L254-V357 HydrophobicContact CG-CG2 4.47Å; L254-V360 HydrophobicContact CD2-CG2 4.1Å |
| 255 | N | 97.4 | Very high | 95.1 | Very high | 26 Ų | 26 | 24.3 Ų | 24.3 | 14% | 0.139 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 174.2 | -169.8 | 3.6 | 0 | 0 | 0 | 111.4 | G251 V252 L253 I257 L258 R259 M361 P362 | G251-N255 VanDerWaalsContact O-CB 3.29Å; G251-N255 WeakPolarHBondContact O-CB 3.43Å; G251-N255 PolarHBondContact O-N 3.47Å; V252-N255 PolarHBondContact O-N 3.28Å; L253-N255 VanDerWaalsContact C-N 3.35Å; L253-N255 PolarHBondContact O-N 2.94Å; N255-I257 VanDerWaalsContact C-N 3.32Å; N255-I257 PolarHBondContact O-N 3.46Å; N255-L258 PolarHBondContact O-N 2.9Å; N255-R259 WeakPolarHBondContact O-CG 3.35Å; N255-R259 PolarHBondContact O-N 3.49Å; N255-R259 PolarHBondContact OD1-NE 2.76Å; N255-R259 VanDerWaalsContact OD1-NE 3.12Å; N255-M361 VanDerWaalsContact CA-SD 3.52Å; N255-M361 HydrophobicContact CB-CB 4.14Å; N255-M361 HydrophobicContact CB-CG 4.02Å; N255-M361 HydrophobicContact CB-SD 3.76Å; N255-P362 PolarHBondContact ND2-O 3.27Å |
| 256 | A | 97.6 | Very high | 94.5 | Very high | 22 Ų | 22 | 31 Ų | 31 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.9 | -39 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L142 V252 L253 L254 R259 N260 | L142-A256 HydrophobicContact CD1-CB 3.67Å; V252-A256 PolarHBondContact O-N 3.26Å; V252-A256 VanDerWaalsContact O-N 3.11Å; L253-A256 WeakPolarHBondContact O-CB 3.31Å; L253-A256 PolarHBondContact O-N 3.32Å; L254-A256 PolarHBondContact O-N 3.21Å; A256-R259 PolarHBondContact O-N 3.32Å; A256-N260 PolarHBondContact O-N 2.92Å; A256-N260 VanDerWaalsContact O-N 3.1Å; A256-N260 PolarHBondContact O-ND2 3.06Å |
| 257 | I | 98.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63 | -47.8 | 175.9 | -69.2 | 170.7 | 0 | 0 | 0 | 110.9 | V27 V29 L253 L254 N255 R259 N260 F261 L290 F310 | V27-I257 HydrophobicContact CB-CG1 4.5Å; V27-I257 HydrophobicContact CG1-CD1 4.09Å; V27-I257 HydrophobicContact CG1-CG1 4.06Å; V27-I257 HydrophobicContact CG2-CG1 4.34Å; V27-I257 HydrophobicContact CG2-CG2 4.17Å; V29-I257 HydrophobicContact CG2-CD1 4.36Å; L253-I257 HydrophobicContact CD1-CD1 4.5Å; L253-I257 HydrophobicContact CG-CD1 4.14Å; L253-I257 VanDerWaalsContact O-CG1 3.32Å; L253-I257 WeakPolarHBondContact O-CG1 3.23Å; L253-I257 PolarHBondContact O-N 2.96Å; L254-I257 PolarHBondContact O-N 3.12Å; N255-I257 VanDerWaalsContact C-N 3.32Å; N255-I257 PolarHBondContact O-N 3.46Å; I257-R259 VanDerWaalsContact C-N 3.35Å; I257-R259 PolarHBondContact O-N 2.54Å; I257-N260 WeakPolarHBondContact O-CB 3.4Å; I257-N260 PolarHBondContact O-N 3.14Å; I257-N260 VanDerWaalsContact O-N 3.13Å; I257-F261 HydrophobicContact CG2-CE1 4.01Å; I257-F261 HydrophobicContact CG2-CE2 3.8Å; I257-F261 HydrophobicContact CG2-CZ 3.45Å; I257-F261 VanDerWaalsContact CG2-CZ 3.45Å; I257-F261 PolarHBondContact O-N 3.2Å; I257-L290 HydrophobicContact CD1-CD1 4.43Å; I257-F310 HydrophobicContact CD1-CD1 4.49Å; I257-F310 HydrophobicContact CD1-CD2 4.05Å; I257-F310 HydrophobicContact CD1-CE1 4.17Å; I257-F310 HydrophobicContact CD1-CE2 3.7Å; I257-F310 HydrophobicContact CD1-CG 4.46Å; I257-F310 HydrophobicContact CD1-CZ 3.77Å; I257-F310 HydrophobicContact CG2-CB 4.49Å; I257-F310 HydrophobicContact CG2-CD1 3.94Å; I257-F310 HydrophobicContact CG2-CE1 4.37Å; I257-F310 HydrophobicContact CG2-CG 4.17Å |
| 258 | L | 96.3 | Very high | 92.2 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 7% | 0.073 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.6 | -42.2 | 177.3 | -79.7 | -173.6 | 0 | 0 | 0 | 112.8 | L254 N255 N260 F261 S262 L350 F353 T354 V357 M361 | L254-L258 PolarHBondContact O-N 3.11Å; N255-L258 PolarHBondContact O-N 2.9Å; L258-N260 VanDerWaalsContact C-N 3.27Å; L258-N260 PolarHBondContact O-N 3.19Å; L258-F261 HydrophobicContact CD2-CD2 3.93Å; L258-F261 HydrophobicContact CD2-CE2 4.31Å; L258-F261 WeakPolarHBondContact O-CB 3.42Å; L258-F261 PolarHBondContact O-N 2.82Å; L258-S262 PolarHBondContact O-N 2.94Å; L258-S262 VanDerWaalsContact O-N 3.08Å; L258-S262 PolarHBondContact O-OG 3.23Å; L258-L350 HydrophobicContact CD2-CD1 4.24Å; L258-F353 HydrophobicContact CD2-CD1 3.67Å; L258-F353 HydrophobicContact CD2-CE1 3.56Å; L258-F353 HydrophobicContact CG-CE1 4.26Å; L258-T354 HydrophobicContact CD1-CG2 4.42Å; L258-V357 HydrophobicContact CD1-CG2 3.72Å; L258-M361 HydrophobicContact CD1-CE 3.73Å; L258-M361 HydrophobicContact CD1-SD 3.6Å |
| 259 | R | 95.3 | Very high | 90.8 | Very high | 151 Ų | 151 | 41.7 Ų | 41.7 | 57% | 0.57 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -59.6 | -39.2 | 175 | -70.6 | 175.2 | -172.5 | -157.9 | -3.2 | 111.9 | N255 A256 I257 F261 S262 D263 | N255-R259 WeakPolarHBondContact O-CG 3.35Å; N255-R259 PolarHBondContact O-N 3.49Å; N255-R259 PolarHBondContact OD1-NE 2.76Å; N255-R259 VanDerWaalsContact OD1-NE 3.12Å; A256-R259 PolarHBondContact O-N 3.32Å; I257-R259 VanDerWaalsContact C-N 3.35Å; I257-R259 PolarHBondContact O-N 2.54Å; R259-F261 VanDerWaalsContact C-N 3.27Å; R259-F261 PolarHBondContact O-N 2.69Å; R259-S262 WeakPolarHBondContact O-CB 3.37Å; R259-S262 PolarHBondContact O-N 2.61Å; R259-D263 PolarHBondContact O-N 3.04Å |
| 260 | N | 94.8 | Very high | 89.1 | Confident | 27 Ų | 27 | 44.3 Ų | 44.3 | 14% | 0.144 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.5 | -32.9 | 175.3 | -69.7 | -52.1 | 0 | 0 | 0 | 112.6 | F25 A256 I257 L258 A264 I278 | F25-N260 HydrophobicContact CE1-CB 3.8Å; F25-N260 HydrophobicContact CZ-CB 3.95Å; A256-N260 PolarHBondContact O-N 2.92Å; A256-N260 VanDerWaalsContact O-N 3.1Å; A256-N260 PolarHBondContact O-ND2 3.06Å; I257-N260 WeakPolarHBondContact O-CB 3.4Å; I257-N260 PolarHBondContact O-N 3.14Å; I257-N260 VanDerWaalsContact O-N 3.13Å; L258-N260 VanDerWaalsContact C-N 3.27Å; L258-N260 PolarHBondContact O-N 3.19Å; N260-A264 VanDerWaalsContact O-CB 3.32Å; N260-A264 WeakPolarHBondContact O-CB 3.37Å; N260-A264 PolarHBondContact O-N 3.09Å; N260-I278 HydrophobicContact CB-CD1 4.24Å; N260-I278 VanDerWaalsContact CG-CD1 3.48Å; N260-I278 WeakPolarHBondContact ND2-CD1 3.01Å |
| 261 | F | 93.6 | Very high | 87.2 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.1 | -44.3 | 173.8 | -58.5 | -23 | 0 | 0 | 0 | 111.4 | F25 V27 I257 L258 R259 D263 A264 M265 F310 F312 V322 L350 | F25-F261 HydrophobicContact CB-CD1 4.44Å; F25-F261 AromaticContact CD1-CD1 3.92Å; F25-F261 HydrophobicContact CD1-CD1 3.92Å; F25-F261 AromaticContact CD1-CE1 3.92Å; F25-F261 HydrophobicContact CD1-CE1 3.92Å; F25-F261 HydrophobicContact CG-CD1 4.5Å; V27-F261 HydrophobicContact CG2-CE1 4.33Å; I257-F261 HydrophobicContact CG2-CE1 4.01Å; I257-F261 HydrophobicContact CG2-CE2 3.8Å; I257-F261 HydrophobicContact CG2-CZ 3.45Å; I257-F261 VanDerWaalsContact CG2-CZ 3.45Å; I257-F261 PolarHBondContact O-N 3.2Å; L258-F261 HydrophobicContact CD2-CD2 3.93Å; L258-F261 HydrophobicContact CD2-CE2 4.31Å; L258-F261 WeakPolarHBondContact O-CB 3.42Å; L258-F261 PolarHBondContact O-N 2.82Å; R259-F261 VanDerWaalsContact C-N 3.27Å; R259-F261 PolarHBondContact O-N 2.69Å; F261-D263 PolarHBondContact O-N 3.23Å; F261-A264 WeakPolarHBondContact O-CB 3.48Å; F261-A264 PolarHBondContact O-N 2.87Å; F261-M265 WeakPolarHBondContact O-CG 3.37Å; F261-M265 PolarHBondContact O-N 3.22Å; F261-F310 HydrophobicContact CZ-CB 3.95Å; F261-F312 HydrophobicContact CB-CD1 4.17Å; F261-F312 HydrophobicContact CB-CD2 4.14Å; F261-F312 HydrophobicContact CB-CE1 4.11Å; F261-F312 HydrophobicContact CB-CE2 4.09Å; F261-F312 HydrophobicContact CB-CG 4.18Å; F261-F312 HydrophobicContact CB-CZ 4.07Å; F261-F312 HydrophobicContact CD1-CB 3.76Å; F261-F312 HydrophobicContact CD1-CD1 4.2Å; F261-F312 HydrophobicContact CD1-CD2 4.31Å; F261-F312 AromaticContact CD1-CG 3.84Å; F261-F312 HydrophobicContact CD1-CG 3.84Å; F261-F312 HydrophobicContact CD2-CD2 4.06Å; F261-F312 HydrophobicContact CD2-CG 4.4Å; F261-F312 HydrophobicContact CE1-CB 3.76Å; F261-F312 HydrophobicContact CE1-CG 4.32Å; F261-F312 HydrophobicContact CG-CB 4.25Å; F261-F312 HydrophobicContact CG-CD1 4.3Å; F261-F312 AromaticContact CG-CD2 3.93Å; F261-F312 HydrophobicContact CG-CD2 3.93Å; F261-F312 HydrophobicContact CG-CE2 4.35Å; F261-F312 AromaticContact CG-CG 3.9Å; F261-F312 HydrophobicContact CG-CG 3.9Å; F261-F312 HydrophobicContact CZ-CB 4.23Å; F261-V322 HydrophobicContact CD2-CG2 4.03Å; F261-V322 HydrophobicContact CE2-CG1 4.09Å; F261-V322 HydrophobicContact CE2-CG2 3.69Å; F261-V322 HydrophobicContact CZ-CG1 4.4Å; F261-L350 HydrophobicContact CD2-CD1 4.25Å |
| 262 | S | 91.1 | Very high | 85.1 | Confident | 59 Ų | 59 | 50.3 Ų | 50.3 | 41% | 0.413 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.6 | -47.7 | 173.6 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | L258 R259 A264 M265 E266 | L258-S262 PolarHBondContact O-N 2.94Å; L258-S262 VanDerWaalsContact O-N 3.08Å; L258-S262 PolarHBondContact O-OG 3.23Å; R259-S262 WeakPolarHBondContact O-CB 3.37Å; R259-S262 PolarHBondContact O-N 2.61Å; S262-A264 VanDerWaalsContact C-N 3.29Å; S262-A264 PolarHBondContact O-N 3.05Å; S262-M265 WeakPolarHBondContact O-CB 3.47Å; S262-M265 PolarHBondContact O-N 3.46Å; S262-M265 VanDerWaalsContact O-N 3.16Å; S262-E266 PolarHBondContact O-N 3.15Å; S262-E266 VanDerWaalsContact O-N 3.09Å |
| 263 | D | 89.1 | Confident | 83.2 | Confident | 60 Ų | 60 | 54 Ų | 54 | 32% | 0.321 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.6 | -38 | 176.3 | -73.2 | 5.6 | 0 | 0 | 0 | 112.2 | R259 F261 E266 R267 | R259-D263 PolarHBondContact O-N 3.04Å; F261-D263 PolarHBondContact O-N 3.23Å; D263-E266 PolarHBondContact O-N 3.19Å; D263-R267 WeakPolarHBondContact O-CB 3.16Å; D263-R267 VanDerWaalsContact O-CG 3.27Å; D263-R267 WeakPolarHBondContact O-CG 3.22Å; D263-R267 PolarHBondContact O-N 3.38Å; D263-R267 VanDerWaalsContact O-N 3.1Å; D263-R267 IonicContact OD2-NH2 3.86Å |
| 264 | A | 86.9 | Confident | 82.3 | Confident | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.033 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.5 | -36 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F25 N260 F261 S262 S268 | F25-A264 HydrophobicContact CB-CB 4.16Å; F25-A264 HydrophobicContact CD2-CB 3.81Å; F25-A264 HydrophobicContact CE2-CB 4.47Å; F25-A264 HydrophobicContact CG-CB 4.18Å; N260-A264 VanDerWaalsContact O-CB 3.32Å; N260-A264 WeakPolarHBondContact O-CB 3.37Å; N260-A264 PolarHBondContact O-N 3.09Å; F261-A264 WeakPolarHBondContact O-CB 3.48Å; F261-A264 PolarHBondContact O-N 2.87Å; S262-A264 VanDerWaalsContact C-N 3.29Å; S262-A264 PolarHBondContact O-N 3.05Å; A264-S268 WeakPolarHBondContact O-CB 3.44Å; A264-S268 PolarHBondContact O-N 2.64Å; A264-S268 VanDerWaalsContact O-N 3.17Å; A264-S268 PolarHBondContact O-OG 3.49Å |
| 265 | M | 85.2 | Confident | 82 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 27% | 0.271 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.6 | -51 | 173 | -66.9 | 168.8 | 59.4 | 0 | 0 | 110.9 | F261 S262 R267 S268 S269 F312 Y320 L350 | F261-M265 WeakPolarHBondContact O-CG 3.37Å; F261-M265 PolarHBondContact O-N 3.22Å; S262-M265 WeakPolarHBondContact O-CB 3.47Å; S262-M265 PolarHBondContact O-N 3.46Å; S262-M265 VanDerWaalsContact O-N 3.16Å; M265-R267 PolarHBondContact O-N 3.33Å; M265-S268 WeakPolarHBondContact O-CB 3.17Å; M265-S268 PolarHBondContact O-N 3.05Å; M265-S269 PolarHBondContact O-N 3.31Å; M265-F312 HydrophobicContact CG-CE1 3.8Å; M265-F312 HydrophobicContact CG-CZ 3.73Å; M265-F312 HydrophobicContact SD-CE1 4.49Å; M265-F312 HydrophobicContact SD-CZ 3.84Å; M265-Y320 HydrophobicContact CE-CD2 3.77Å; M265-Y320 HydrophobicContact CE-CE2 3.61Å; M265-Y320 HydrophobicContact CG-CD1 4.3Å; M265-Y320 HydrophobicContact CG-CD2 4.5Å; M265-Y320 HydrophobicContact CG-CE1 3.95Å; M265-Y320 HydrophobicContact CG-CE2 4.18Å; M265-Y320 HydrophobicContact SD-CD2 4.21Å; M265-Y320 HydrophobicContact SD-CE2 4.31Å; M265-Y320 HydrophobicContact SD-CG 4.4Å; M265-L350 HydrophobicContact SD-CD2 3.81Å |
| 266 | E | 82.8 | Confident | 81.9 | Confident | 140 Ų | 140 | 58 Ų | 58 | 65% | 0.654 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.6 | -42.6 | -178.5 | -69.2 | 179.6 | -177.7 | 0 | 0 | 112.5 | S262 D263 S268 S269 G270 | S262-E266 PolarHBondContact O-N 3.15Å; S262-E266 VanDerWaalsContact O-N 3.09Å; D263-E266 PolarHBondContact O-N 3.19Å; E266-S268 VanDerWaalsContact C-N 3.34Å; E266-S268 PolarHBondContact O-N 3.16Å; E266-S269 PolarHBondContact O-N 2.95Å; E266-G270 PolarHBondContact O-N 2.82Å |
| 267 | R | 77.1 | Confident | 81.9 | Confident | 107 Ų | 107 | 57 Ų | 57 | 40% | 0.404 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.4 | -32.6 | 179.1 | -70.4 | 173.3 | -173 | 157.9 | 8.9 | 113 | D263 M265 S269 G270 A274 | D263-R267 WeakPolarHBondContact O-CB 3.16Å; D263-R267 VanDerWaalsContact O-CG 3.27Å; D263-R267 WeakPolarHBondContact O-CG 3.22Å; D263-R267 PolarHBondContact O-N 3.38Å; D263-R267 VanDerWaalsContact O-N 3.1Å; D263-R267 IonicContact OD2-NH2 3.86Å; M265-R267 PolarHBondContact O-N 3.33Å; R267-S269 PolarHBondContact O-N 3.23Å; R267-G270 PolarHBondContact O-N 2.9Å; R267-A274 HydrophobicContact CB-CB 4.1Å |
| 268 | S | 70.4 | Confident | 82 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.3 | -32.2 | 176.8 | -63 | 0 | 0 | 0 | 0 | 111.8 | A264 M265 E266 | A264-S268 WeakPolarHBondContact O-CB 3.44Å; A264-S268 PolarHBondContact O-N 2.64Å; A264-S268 VanDerWaalsContact O-N 3.17Å; A264-S268 PolarHBondContact O-OG 3.49Å; M265-S268 WeakPolarHBondContact O-CB 3.17Å; M265-S268 PolarHBondContact O-N 3.05Å; E266-S268 VanDerWaalsContact C-N 3.34Å; E266-S268 PolarHBondContact O-N 3.16Å |
| 269 | S | 65.8 | Low | 82.1 | Confident | 108 Ų | 108 | 56.5 Ų | 56.5 | 76% | 0.755 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -76.2 | -22 | 176.3 | -56.7 | 0 | 0 | 0 | 0 | 113.8 | M265 E266 R267 | M265-S269 PolarHBondContact O-N 3.31Å; E266-S269 PolarHBondContact O-N 2.95Å; R267-S269 PolarHBondContact O-N 3.23Å |
| 270 | G | 61.5 | Low | 82.3 | Confident | 67 Ų | 67 | 49.8 Ų | 49.8 | 69% | 0.691 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 3.6 | -174 | 0 | 0 | 0 | 0 | 0 | 116.4 | E266 R267 G272 | E266-G270 PolarHBondContact O-N 2.82Å; R267-G270 PolarHBondContact O-N 2.9Å; G270-G272 PolarHBondContact O-N 3.4Å |
| 271 | G | 56.5 | Low | 82.5 | Confident | 79 Ų | 79 | 48.5 Ų | 48.5 | 81% | 0.814 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 11.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 272 | G | 54.5 | Low | 82.7 | Confident | 48 Ų | 48 | 48.4 Ų | 48.4 | 50% | 0.495 | 31% | 0.313 | S | S | . | . | trans | -81 | 145.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G270 A274 | G270-G272 PolarHBondContact O-N 3.4Å; G272-A274 PolarHBondContact O-N 2.9Å | ||
| 273 | T | 56.8 | Low | 83.1 | Confident | 106 Ų | 106 | 46.2 Ų | 46.2 | 65% | 0.65 | 30% | 0.296 | S | S | * | . | trans | -63.2 | 107 | 167.7 | 49.3 | 0 | 0 | 0 | 0 | 109.2 | K88 | K88-T273 VanDerWaalsContact CD-OG1 3.25Å; K88-T273 WeakPolarHBondContact CD-OG1 3.35Å | ||
| 274 | A | 79.1 | Confident | 83.4 | Confident | 23 Ų | 23 | 44.5 Ų | 44.5 | 19% | 0.19 | 29% | 0.287 | C | S | . | . | trans | -93.9 | 142.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K88 R267 G272 K276 | K88-A274 CarbonylContact O-C 3.55Å; R267-A274 HydrophobicContact CB-CB 4.1Å; G272-A274 PolarHBondContact O-N 2.9Å; A274-K276 WeakPolarHBondContact O-CG 2.97Å; A274-K276 PolarHBondContact O-N 3.44Å | ||
| 275 | L | 92.8 | Very high | 83.8 | Confident | 31 Ų | 31 | 46.2 Ų | 46.2 | 16% | 0.162 | 30% | 0.299 | C | S | . | . | trans | -48.1 | 128.3 | 158.6 | -178.9 | 67.1 | 0 | 0 | 0 | 108.5 | F25 K88 I278 | F25-L275 VanDerWaalsContact CD2-O 3.26Å; F25-L275 WeakPolarHBondContact CD2-O 2.95Å; F25-L275 HydrophobicContact CE2-CB 4.2Å; F25-L275 HydrophobicContact CE2-CD2 4.09Å; F25-L275 HydrophobicContact CE2-CG 3.79Å; F25-L275 WeakPolarHBondContact CE2-O 3.5Å; F25-L275 HydrophobicContact CZ-CD2 4.03Å; F25-L275 HydrophobicContact CZ-CG 4.11Å; K88-L275 WeakPolarHBondContact O-CA 3.25Å; K88-L275 PolarHBondContact O-N 2.95Å; K88-L275 VanDerWaalsContact O-N 3.14Å; L275-I278 HydrophobicContact CD2-CD1 3.88Å; L275-I278 HydrophobicContact CD2-CG1 3.88Å; L275-I278 HydrophobicContact CG-CG1 4.37Å | ||
| 276 | K | 95.3 | Very high | 84.5 | Confident | 58 Ų | 58 | 43.8 Ų | 43.8 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | trans | -112.9 | -30.9 | -176.3 | -73.9 | -177 | -178.8 | 172.8 | 0 | 112.2 | F25 V26 F80 L81 E89 A274 | F25-K276 CarbonylContact C-O 3.43Å; F25-K276 WeakPolarHBondContact CA-O 3.14Å; V26-K276 PolarHBondContact N-O 3.33Å; F80-K276 HydrophobicContact CE1-CB 3.71Å; F80-K276 HydrophobicContact CE1-CD 4.47Å; F80-K276 HydrophobicContact CE1-CG 4.42Å; F80-K276 WeakPolarHBondContact CE1-O 3.15Å; F80-K276 HydrophobicContact CE2-CB 4.43Å; F80-K276 HydrophobicContact CE2-CD 4.13Å; F80-K276 HydrophobicContact CE2-CG 4.3Å; F80-K276 HydrophobicContact CZ-CB 3.59Å; F80-K276 HydrophobicContact CZ-CD 4.08Å; F80-K276 HydrophobicContact CZ-CG 3.9Å; F80-K276 WeakPolarHBondContact O-CD 3.2Å; F80-K276 PolarHBondContact O-NZ 2.75Å; L81-K276 HydrophobicContact CD2-CB 4.06Å; L81-K276 HydrophobicContact CD2-CD 4.4Å; E89-K276 HydrophobicContact CB-CB 4.37Å; E89-K276 HydrophobicContact CB-CD 4.35Å; E89-K276 HydrophobicContact CB-CG 4.49Å; E89-K276 HydrophobicContact CG-CD 4.04Å; E89-K276 HydrophobicContact CG-CG 4.44Å; E89-K276 PolarHBondContact O-N 3.3Å; E89-K276 WeakPolarHBondContact OE1-CE 3.28Å; E89-K276 IonicContact OE1-NZ 3.47Å; E89-K276 PolarHBondContact OE1-NZ 3.32Å; A274-K276 WeakPolarHBondContact O-CG 2.97Å; A274-K276 PolarHBondContact O-N 3.44Å | ||
| 277 | F | 98 | Very high | 85.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 128.4 | -168.5 | -157.2 | -55.9 | 0 | 0 | 0 | 110.9 | V26 A28 L73 Y77 L81 E89 L90 Y91 M111 I279 | V26-F277 HydrophobicContact CB-CD2 3.74Å; V26-F277 HydrophobicContact CB-CE2 3.77Å; V26-F277 HydrophobicContact CB-CG 4.17Å; V26-F277 HydrophobicContact CB-CZ 4.2Å; V26-F277 HydrophobicContact CG1-CD2 3.97Å; V26-F277 HydrophobicContact CG1-CE1 4.07Å; V26-F277 HydrophobicContact CG1-CE2 3.46Å; V26-F277 VanDerWaalsContact CG1-CE2 3.46Å; V26-F277 HydrophobicContact CG1-CG 4.49Å; V26-F277 HydrophobicContact CG1-CZ 3.51Å; V26-F277 HydrophobicContact CG2-CD2 4.35Å; V26-F277 HydrophobicContact CG2-CE2 4.38Å; V26-F277 CarbonylContact O-C 3.57Å; V26-F277 WeakPolarHBondContact O-CA 3.47Å; A28-F277 HydrophobicContact CB-CE1 3.71Å; A28-F277 HydrophobicContact CB-CZ 3.95Å; L73-F277 HydrophobicContact CD2-CZ 4.37Å; Y77-F277 HydrophobicContact CD2-CD2 4.43Å; Y77-F277 AromaticContact CD2-CE2 3.4Å; Y77-F277 HydrophobicContact CD2-CE2 3.4Å; Y77-F277 VanDerWaalsContact CD2-CE2 3.4Å; Y77-F277 HydrophobicContact CD2-CZ 4.08Å; Y77-F277 AromaticContact CE2-CE2 3.68Å; Y77-F277 HydrophobicContact CE2-CE2 3.68Å; Y77-F277 HydrophobicContact CE2-CZ 4.01Å; Y77-F277 HydrophobicContact CG-CD2 4.49Å; Y77-F277 AromaticContact CG-CE2 3.83Å; Y77-F277 HydrophobicContact CG-CE2 3.83Å; L81-F277 HydrophobicContact CD1-CB 4.41Å; L81-F277 HydrophobicContact CD1-CD2 3.72Å; L81-F277 HydrophobicContact CD1-CE2 4.41Å; L81-F277 HydrophobicContact CD1-CG 4.31Å; L81-F277 HydrophobicContact CD2-CB 3.99Å; L81-F277 HydrophobicContact CG-CD2 4.36Å; E89-F277 PolarHBondContact O-N 3.11Å; L90-F277 WeakPolarHBondContact CA-O 3.45Å; L90-F277 HydrophobicContact CD1-CB 3.89Å; L90-F277 HydrophobicContact CD1-CD1 3.91Å; L90-F277 HydrophobicContact CD1-CG 4.08Å; Y91-F277 PolarHBondContact N-O 3.44Å; M111-F277 HydrophobicContact CE-CD2 4.26Å; M111-F277 HydrophobicContact CE-CE2 4.14Å; M111-F277 HydrophobicContact CE-CZ 4.47Å; F277-I279 HydrophobicContact CD1-CD1 4.46Å; F277-I279 HydrophobicContact CD1-CG1 3.72Å; F277-I279 HydrophobicContact CE1-CD1 4.22Å; F277-I279 HydrophobicContact CE1-CG1 3.45Å; F277-I279 VanDerWaalsContact CE1-CG1 3.45Å; F277-I279 HydrophobicContact CZ-CG1 4.5Å |
| 278 | I | 98.7 | Very high | 86.1 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.1 | 167.7 | -62.9 | 175.4 | 0 | 0 | 0 | 110.8 | F25 V26 V27 A28 Y91 N260 L275 Y280 | F25-I278 HydrophobicContact CE1-CD1 4Å; F25-I278 HydrophobicContact CE1-CG1 4.12Å; F25-I278 HydrophobicContact CZ-CD1 3.59Å; F25-I278 HydrophobicContact CZ-CG1 3.69Å; V26-I278 PolarHBondContact O-N 3.25Å; V27-I278 WeakPolarHBondContact CA-O 3.27Å; V27-I278 HydrophobicContact CG2-CB 4.38Å; A28-I278 PolarHBondContact N-O 3.07Å; Y91-I278 HydrophobicContact CD1-CG1 4.46Å; Y91-I278 HydrophobicContact CD1-CG2 4.18Å; Y91-I278 CarbonylContact O-C 3.56Å; Y91-I278 WeakPolarHBondContact O-CA 3.44Å; N260-I278 HydrophobicContact CB-CD1 4.24Å; N260-I278 VanDerWaalsContact CG-CD1 3.48Å; N260-I278 WeakPolarHBondContact ND2-CD1 3.01Å; L275-I278 HydrophobicContact CD2-CD1 3.88Å; L275-I278 HydrophobicContact CD2-CG1 3.88Å; L275-I278 HydrophobicContact CG-CG1 4.37Å; I278-Y280 HydrophobicContact CB-CE2 4.49Å; I278-Y280 HydrophobicContact CG2-CD1 4.16Å; I278-Y280 HydrophobicContact CG2-CD2 3.89Å; I278-Y280 HydrophobicContact CG2-CE1 3.79Å; I278-Y280 HydrophobicContact CG2-CE2 3.5Å; I278-Y280 VanDerWaalsContact CG2-CE2 3.5Å; I278-Y280 HydrophobicContact CG2-CG 4.23Å; I278-Y280 VanDerWaalsContact CG2-CZ 3.45Å |
| 279 | I | 98.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129.7 | 169.8 | -64.9 | 173.9 | 0 | 0 | 0 | 109.6 | A28 F30 L90 Y91 V92 R93 L108 M111 F277 | A28-I279 CarbonylContact O-C 3.52Å; A28-I279 WeakPolarHBondContact O-CA 3.19Å; F30-I279 HydrophobicContact CD1-CG2 4.06Å; F30-I279 HydrophobicContact CE1-CG2 3.25Å; F30-I279 HydrophobicContact CZ-CG2 3.84Å; L90-I279 HydrophobicContact CD1-CD1 3.99Å; L90-I279 HydrophobicContact CD1-CG1 4.18Å; Y91-I279 PolarHBondContact O-N 3.31Å; V92-I279 WeakPolarHBondContact CA-O 3.25Å; V92-I279 HydrophobicContact CB-CB 4.46Å; V92-I279 HydrophobicContact CG1-CB 4.03Å; V92-I279 HydrophobicContact CG1-CG2 4.04Å; V92-I279 HydrophobicContact CG2-CB 4.2Å; V92-I279 HydrophobicContact CG2-CD1 4.42Å; R93-I279 PolarHBondContact N-O 3.13Å; L108-I279 HydrophobicContact CD2-CD1 4.23Å; M111-I279 HydrophobicContact SD-CD1 3.86Å; F277-I279 HydrophobicContact CD1-CD1 4.46Å; F277-I279 HydrophobicContact CD1-CG1 3.72Å; F277-I279 HydrophobicContact CE1-CD1 4.22Å; F277-I279 HydrophobicContact CE1-CG1 3.45Å; F277-I279 VanDerWaalsContact CE1-CG1 3.45Å; F277-I279 HydrophobicContact CZ-CG1 4.5Å |
| 280 | Y | 98.9 | Very high | 89 | Confident | 10 Ų | 10 | 24.8 Ų | 24.8 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 106.3 | 172.4 | -68.9 | -56.8 | 0 | 0 | 0 | 110.6 | V27 A28 V29 F30 R93 L142 L143 L253 I278 | V27-Y280 HydrophobicContact CG1-CD2 3.58Å; V27-Y280 HydrophobicContact CG1-CE2 3.7Å; A28-Y280 PolarHBondContact O-N 3.08Å; V29-Y280 WeakPolarHBondContact CA-O 3.45Å; V29-Y280 HydrophobicContact CG2-CD2 3.95Å; F30-Y280 PolarHBondContact N-O 2.83Å; R93-Y280 HydrophobicContact CB-CD1 3.9Å; R93-Y280 HydrophobicContact CB-CE1 4.01Å; R93-Y280 CarbonylContact O-C 3.57Å; R93-Y280 VanDerWaalsContact O-CA 3.29Å; R93-Y280 WeakPolarHBondContact O-CA 3.47Å; L142-Y280 HydrophobicContact CD2-CE1 4.2Å; L143-Y280 HydrophobicContact CD1-CD1 3.88Å; L143-Y280 HydrophobicContact CD1-CG 4.48Å; L143-Y280 HydrophobicContact CD2-CD1 3.81Å; L143-Y280 HydrophobicContact CD2-CG 3.8Å; L143-Y280 HydrophobicContact CG-CD1 4.25Å; L253-Y280 HydrophobicContact CD1-CD2 4.05Å; L253-Y280 HydrophobicContact CD1-CE2 3.9Å; L253-Y280 HydrophobicContact CD1-CG 4.5Å; I278-Y280 HydrophobicContact CB-CE2 4.49Å; I278-Y280 HydrophobicContact CG2-CD1 4.16Å; I278-Y280 HydrophobicContact CG2-CD2 3.89Å; I278-Y280 HydrophobicContact CG2-CE1 3.79Å; I278-Y280 HydrophobicContact CG2-CE2 3.5Å; I278-Y280 VanDerWaalsContact CG2-CE2 3.5Å; I278-Y280 HydrophobicContact CG2-CG 4.23Å; I278-Y280 VanDerWaalsContact CG2-CZ 3.45Å |
| 281 | S | 98.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 116.1 | 175.5 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | F30 R93 S94 T95 T100 | F30-S281 WeakPolarHBondContact CE2-OG 3.48Å; R93-S281 PolarHBondContact O-N 3.27Å; S94-S281 VanDerWaalsContact CA-O 3.26Å; S94-S281 WeakPolarHBondContact CA-O 3.26Å; S94-S281 PolarHBondContact OG-O 3.48Å; T95-S281 PolarHBondContact N-O 3.43Å; T100-S281 PolarHBondContact O-OG 2.74Å |
| 282 | A | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | -144.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F30 H32 T95 T100 L143 T286 | F30-A282 CarbonylContact O-C 3.45Å; F30-A282 PolarHBondContact O-N 3.3Å; H32-A282 PolarHBondContact N-O 3.47Å; T95-A282 HydrophobicContact CG2-CB 4.28Å; T100-A282 WeakPolarHBondContact CG2-O 3.35Å; L143-A282 HydrophobicContact CB-CB 4.24Å; L143-A282 HydrophobicContact CD2-CB 4.4Å; A282-T286 HydrophobicContact CB-CG2 3.77Å; A282-T286 WeakPolarHBondContact CB-OG1 3.31Å |
| 283 | H | 98.4 | Very high | 94.6 | Very high | 13 Ų | 13 | 16 Ų | 16 | 6% | 0.06 | 9% | 0.093 | C | C | . | . | trans | -119.2 | 168.7 | -169.9 | -53.6 | -62.8 | 0 | 0 | 0 | 112.4 | H32 T95 Y97 S285 T286 L287 | H32-H283 AromaticContact CD2-ND1 3.74Å; T95-H283 PolarHBondContact OG1-NE2 3.1Å; Y97-H283 AromaticContact CD2-CE1 3.54Å; Y97-H283 AromaticContact CD2-NE2 3.42Å; Y97-H283 WeakPolarHBondContact CD2-NE2 3.26Å; Y97-H283 AromaticContact CE2-CE1 3.96Å; Y97-H283 AromaticContact CE2-NE2 3.53Å; H283-S285 VanDerWaalsContact C-N 3.27Å; H283-S285 PolarHBondContact O-N 3.21Å; H283-T286 PolarHBondContact N-OG1 3.15Å; H283-T286 WeakPolarHBondContact O-CB 3.31Å; H283-T286 PolarHBondContact O-N 2.88Å; H283-L287 PolarHBondContact O-N 3.17Å | ||
| 284 | D | 96.4 | Very high | 96.5 | Very high | 23 Ų | 23 | 11.2 Ų | 11.2 | 12% | 0.123 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -54.6 | -45.3 | 166.4 | 36.3 | 27.9 | 0 | 0 | 0 | 110.9 | R31 T286 L287 I288 P302 | R31-D284 HydrophobicContact CG-CB 4.45Å; R31-D284 IonicContact CZ-OD2 3.48Å; R31-D284 VanDerWaalsContact CZ-OD2 3.28Å; R31-D284 IonicContact NE-OD2 2.78Å; R31-D284 PolarHBondContact NE-OD2 2.91Å; R31-D284 IonicContact NH2-OD2 3.47Å; R31-D284 PolarHBondContact NH2-OD2 3.24Å; D284-T286 PolarHBondContact O-N 3.31Å; D284-L287 PolarHBondContact O-N 3.06Å; D284-L287 VanDerWaalsContact O-N 3.14Å; D284-I288 HydrophobicContact CB-CD1 4.33Å; D284-I288 WeakPolarHBondContact O-CD1 3.44Å; D284-I288 VanDerWaalsContact O-CG1 3.27Å; D284-I288 WeakPolarHBondContact O-CG1 3.3Å; D284-I288 PolarHBondContact O-N 2.84Å; D284-P302 HydrophobicContact CB-CB 4.34Å; D284-P302 HydrophobicContact CB-CG 4.28Å |
| 285 | S | 95.9 | Very high | 97.3 | Very high | 41 Ų | 41 | 13.9 Ų | 13.9 | 29% | 0.287 | 7% | 0.074 | S | C | . | . | H | α-helix | trans | -59.8 | -32.3 | 178.6 | 71.3 | 0 | 0 | 0 | 0 | 113.2 | S145 H283 T289 | S145-S285 WeakPolarHBondContact OG-CB 3.19Å; S145-S285 PolarHBondContact OG-O 2.92Å; S145-S285 PolarHBondContact OG-OG 3.41Å; H283-S285 VanDerWaalsContact C-N 3.27Å; H283-S285 PolarHBondContact O-N 3.21Å; S285-T289 WeakPolarHBondContact O-CB 3.44Å; S285-T289 WeakPolarHBondContact O-CG2 3.29Å; S285-T289 PolarHBondContact O-N 3.28Å; S285-T289 PolarHBondContact O-OG1 3.26Å |
| 286 | T | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 14 Ų | 14 | 2% | 0.018 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.9 | -48.6 | 175.8 | -45.1 | 0 | 0 | 0 | 0 | 110.4 | V29 L143 L253 A282 H283 D284 T289 L290 | V29-T286 HydrophobicContact CG1-CG2 4.22Å; L143-T286 HydrophobicContact CD2-CG2 4.21Å; L143-T286 WeakPolarHBondContact O-CG2 3.43Å; L143-T286 PolarHBondContact O-OG1 3.33Å; L253-T286 HydrophobicContact CD2-CG2 3.96Å; A282-T286 HydrophobicContact CB-CG2 3.77Å; A282-T286 WeakPolarHBondContact CB-OG1 3.31Å; H283-T286 PolarHBondContact N-OG1 3.15Å; H283-T286 WeakPolarHBondContact O-CB 3.31Å; H283-T286 PolarHBondContact O-N 2.88Å; D284-T286 PolarHBondContact O-N 3.31Å; T286-T289 PolarHBondContact O-OG1 3.04Å; T286-L290 VanDerWaalsContact O-CB 3.25Å; T286-L290 WeakPolarHBondContact O-CB 3.36Å; T286-L290 PolarHBondContact O-N 3.04Å |
| 287 | L | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62 | -47.1 | 175.6 | -66.4 | 179.3 | 0 | 0 | 0 | 111.9 | V29 R31 H283 D284 T289 L290 Q291 P302 A306 Q308 Y326 | V29-L287 HydrophobicContact CB-CD2 4.16Å; V29-L287 HydrophobicContact CG1-CD2 3.9Å; V29-L287 WeakPolarHBondContact O-CD2 3.48Å; R31-L287 HydrophobicContact CB-CD1 3.92Å; H283-L287 PolarHBondContact O-N 3.17Å; D284-L287 PolarHBondContact O-N 3.06Å; D284-L287 VanDerWaalsContact O-N 3.14Å; L287-T289 PolarHBondContact O-N 2.89Å; L287-L290 PolarHBondContact O-N 3.39Å; L287-Q291 VanDerWaalsContact O-CB 3.3Å; L287-Q291 WeakPolarHBondContact O-CB 3.48Å; L287-Q291 VanDerWaalsContact O-CG 3.28Å; L287-Q291 WeakPolarHBondContact O-CG 3.49Å; L287-Q291 PolarHBondContact O-N 3.12Å; L287-P302 HydrophobicContact CB-CB 4.33Å; L287-P302 HydrophobicContact CB-CG 3.98Å; L287-P302 HydrophobicContact CD1-CB 3.83Å; L287-P302 HydrophobicContact CD1-CG 4.39Å; L287-A306 HydrophobicContact CD1-CB 3.98Å; L287-Q308 HydrophobicContact CD2-CB 3.94Å; L287-Y326 HydrophobicContact CD1-CE2 4.48Å |
| 288 | I | 97.1 | Very high | 97.1 | Very high | 7 Ų | 7 | 15.9 Ų | 15.9 | 4% | 0.036 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.3 | -50.3 | 179.7 | -69.2 | 156.5 | 0 | 0 | 0 | 110.7 | V233 I237 D284 A292 Y297 P302 | V233-I288 HydrophobicContact CG1-CD1 3.53Å; V233-I288 HydrophobicContact CG1-CG1 4.36Å; V233-I288 HydrophobicContact CG1-CG2 4.11Å; I237-I288 HydrophobicContact CG1-CG2 4.07Å; D284-I288 HydrophobicContact CB-CD1 4.33Å; D284-I288 WeakPolarHBondContact O-CD1 3.44Å; D284-I288 VanDerWaalsContact O-CG1 3.27Å; D284-I288 WeakPolarHBondContact O-CG1 3.3Å; D284-I288 PolarHBondContact O-N 2.84Å; I288-A292 WeakPolarHBondContact O-CB 3.46Å; I288-A292 PolarHBondContact O-N 2.9Å; I288-Y297 HydrophobicContact CB-CE2 4.42Å; I288-Y297 HydrophobicContact CG1-CE2 3.84Å; I288-Y297 HydrophobicContact CG2-CD1 4.32Å; I288-Y297 HydrophobicContact CG2-CE1 3.91Å; I288-Y297 HydrophobicContact CG2-CE2 4.36Å; I288-P302 HydrophobicContact CD1-CG 4.2Å; I288-P302 HydrophobicContact CG1-CG 3.7Å |
| 289 | T | 97.3 | Very high | 96.7 | Very high | 8 Ų | 8 | 16.5 Ų | 16.5 | 5% | 0.049 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.5 | -36.4 | -177.7 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | I237 G250 S285 T286 L287 A293 | I237-T289 HydrophobicContact CD1-CG2 3.94Å; I237-T289 HydrophobicContact CG1-CG2 4.39Å; G250-T289 WeakPolarHBondContact CA-O 3.25Å; S285-T289 WeakPolarHBondContact O-CB 3.44Å; S285-T289 WeakPolarHBondContact O-CG2 3.29Å; S285-T289 PolarHBondContact O-N 3.28Å; S285-T289 PolarHBondContact O-OG1 3.26Å; T286-T289 PolarHBondContact O-OG1 3.04Å; L287-T289 PolarHBondContact O-N 2.89Å; T289-A293 WeakPolarHBondContact O-CB 3.41Å; T289-A293 PolarHBondContact O-N 3.13Å |
| 290 | L | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.2 | -50.2 | 174 | -179.7 | 65.1 | 0 | 0 | 0 | 111.8 | V29 L253 L254 I257 T286 L287 A292 A293 L294 Q308 F310 | V29-L290 HydrophobicContact CB-CD2 4.21Å; V29-L290 HydrophobicContact CG1-CD2 4.37Å; V29-L290 HydrophobicContact CG2-CD2 3.89Å; L253-L290 HydrophobicContact CB-CD1 4.35Å; L253-L290 HydrophobicContact CD2-CD1 4.3Å; L253-L290 HydrophobicContact CD2-CD2 4.06Å; L253-L290 HydrophobicContact CG-CD1 4.27Å; L254-L290 HydrophobicContact CB-CD1 4.13Å; I257-L290 HydrophobicContact CD1-CD1 4.43Å; T286-L290 VanDerWaalsContact O-CB 3.25Å; T286-L290 WeakPolarHBondContact O-CB 3.36Å; T286-L290 PolarHBondContact O-N 3.04Å; L287-L290 PolarHBondContact O-N 3.39Å; L290-A292 VanDerWaalsContact C-N 3.3Å; L290-A292 PolarHBondContact O-N 3.48Å; L290-A293 WeakPolarHBondContact O-CB 3.46Å; L290-A293 PolarHBondContact O-N 3.34Å; L290-A293 VanDerWaalsContact O-N 3.17Å; L290-L294 HydrophobicContact CG-CD1 4.36Å; L290-L294 WeakPolarHBondContact O-CG 3.27Å; L290-L294 PolarHBondContact O-N 2.92Å; L290-Q308 HydrophobicContact CD2-CG 4.36Å; L290-F310 HydrophobicContact CD1-CZ 4.15Å; L290-F310 HydrophobicContact CD2-CE2 3.8Å; L290-F310 HydrophobicContact CD2-CZ 3.81Å; L290-F310 HydrophobicContact CG-CZ 4.15Å |
| 291 | Q | 97.7 | Very high | 95.9 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.7 | -33.9 | 178.9 | -70.4 | 176.6 | -28.1 | 0 | 0 | 111.7 | L287 L294 D295 V296 Y297 Y326 | L287-Q291 VanDerWaalsContact O-CB 3.3Å; L287-Q291 WeakPolarHBondContact O-CB 3.48Å; L287-Q291 VanDerWaalsContact O-CG 3.28Å; L287-Q291 WeakPolarHBondContact O-CG 3.49Å; L287-Q291 PolarHBondContact O-N 3.12Å; Q291-L294 CarbonylContact O-C 3.51Å; Q291-L294 PolarHBondContact O-N 3.47Å; Q291-D295 PolarHBondContact O-N 2.9Å; Q291-V296 HydrophobicContact CB-CG2 4Å; Q291-V296 HydrophobicContact CG-CG2 4.15Å; Q291-V296 PolarHBondContact O-N 2.97Å; Q291-Y297 HydrophobicContact CB-CD2 4.27Å; Q291-Y297 HydrophobicContact CB-CG 4.47Å; Q291-Y297 PolarHBondContact O-N 3.46Å; Q291-Y326 VanDerWaalsContact NE2-CE2 3.29Å |
| 292 | A | 96.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 2% | 0.017 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -70.2 | -31.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I237 L238 R242 I288 L290 D295 | I237-A292 HydrophobicContact CG2-CB 3.35Å; L238-A292 HydrophobicContact CD2-CB 3.61Å; R242-A292 PolarHBondContact NH1-O 2.9Å; I288-A292 WeakPolarHBondContact O-CB 3.46Å; I288-A292 PolarHBondContact O-N 2.9Å; L290-A292 VanDerWaalsContact C-N 3.3Å; L290-A292 PolarHBondContact O-N 3.48Å; A292-D295 PolarHBondContact O-N 3.43Å |
| 293 | A | 96.9 | Very high | 95.7 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 3% | 0.033 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.3 | -44.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | A246 L254 T289 L290 D295 V360 | A246-A293 HydrophobicContact CB-CB 3.9Å; L254-A293 HydrophobicContact CD2-CB 4.33Å; T289-A293 WeakPolarHBondContact O-CB 3.41Å; T289-A293 PolarHBondContact O-N 3.13Å; L290-A293 WeakPolarHBondContact O-CB 3.46Å; L290-A293 PolarHBondContact O-N 3.34Å; L290-A293 VanDerWaalsContact O-N 3.17Å; A293-D295 PolarHBondContact O-N 3.33Å; A293-V360 HydrophobicContact CB-CB 4.5Å; A293-V360 HydrophobicContact CB-CG2 4.35Å |
| 294 | L | 96.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -11.4 | 174.2 | -71.1 | 169.7 | 0 | 0 | 0 | 114.6 | L254 L290 Q291 V296 F310 L324 F353 V357 | L254-L294 HydrophobicContact CD1-CD2 3.74Å; L254-L294 HydrophobicContact CD1-CG 4.4Å; L254-L294 HydrophobicContact CD2-CD2 3.88Å; L254-L294 HydrophobicContact CD2-CG 4.27Å; L254-L294 HydrophobicContact CG-CD2 4.49Å; L290-L294 HydrophobicContact CG-CD1 4.36Å; L290-L294 WeakPolarHBondContact O-CG 3.27Å; L290-L294 PolarHBondContact O-N 2.92Å; Q291-L294 CarbonylContact O-C 3.51Å; Q291-L294 PolarHBondContact O-N 3.47Å; L294-V296 VanDerWaalsContact C-N 3.28Å; L294-V296 HydrophobicContact CB-CG1 4.33Å; L294-V296 HydrophobicContact CB-CG2 3.76Å; L294-V296 HydrophobicContact CD1-CG2 4.25Å; L294-V296 PolarHBondContact O-N 3.28Å; L294-F310 HydrophobicContact CD1-CE1 3.91Å; L294-F310 HydrophobicContact CD1-CZ 3.73Å; L294-F310 HydrophobicContact CD2-CE1 4.4Å; L294-L324 HydrophobicContact CD1-CD1 4.35Å; L294-L324 HydrophobicContact CD2-CD1 4.41Å; L294-F353 HydrophobicContact CD2-CE2 3.84Å; L294-F353 HydrophobicContact CD2-CZ 3.73Å; L294-V357 HydrophobicContact CD2-CG1 4.24Å |
| 295 | D | 95.5 | Very high | 95.8 | Very high | 79 Ų | 79 | 24.7 Ų | 24.7 | 42% | 0.422 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 31 | -174.6 | -141.4 | 16.8 | 0 | 0 | 0 | 114 | R242 Q291 A292 A293 P340 | R242-D295 IonicContact CZ-OD1 3.1Å; R242-D295 IonicContact CZ-OD2 3.12Å; R242-D295 IonicContact NE-OD1 3.88Å; R242-D295 PolarHBondContact NE-OD1 3.2Å; R242-D295 IonicContact NH1-OD1 3.32Å; R242-D295 IonicContact NH2-OD1 2.7Å; R242-D295 PolarHBondContact NH2-OD1 2.92Å; R242-D295 IonicContact NH2-OD2 2.75Å; R242-D295 PolarHBondContact NH2-OD2 3.23Å; Q291-D295 PolarHBondContact O-N 2.9Å; A292-D295 PolarHBondContact O-N 3.43Å; A293-D295 PolarHBondContact O-N 3.33Å; D295-P340 HydrophobicContact CB-CG 4.21Å; D295-P340 WeakPolarHBondContact O-CG 3.5Å |
| 296 | V | 95.3 | Very high | 95.9 | Very high | 34 Ų | 34 | 22.8 Ų | 22.8 | 21% | 0.206 | 13% | 0.127 | C | C | . | . | trans | -115.4 | 6.8 | -179.9 | -59.3 | 0 | 0 | 0 | 0 | 113.5 | Q291 L294 D298 | Q291-V296 HydrophobicContact CB-CG2 4Å; Q291-V296 HydrophobicContact CG-CG2 4.15Å; Q291-V296 PolarHBondContact O-N 2.97Å; L294-V296 VanDerWaalsContact C-N 3.28Å; L294-V296 HydrophobicContact CB-CG1 4.33Å; L294-V296 HydrophobicContact CB-CG2 3.76Å; L294-V296 HydrophobicContact CD1-CG2 4.25Å; L294-V296 PolarHBondContact O-N 3.28Å; V296-D298 PolarHBondContact O-N 2.9Å | ||
| 297 | Y | 95.1 | Very high | 96 | Very high | 20 Ų | 20 | 22.6 Ų | 22.6 | 8% | 0.078 | 13% | 0.126 | C | C | . | . | trans | -70.2 | 126.9 | -178.4 | -177.4 | -131.2 | 0 | 0 | 0 | 111.6 | T234 L238 I288 Q291 G299 L300 | T234-Y297 HydrophobicContact CG2-CE1 4.41Å; L238-Y297 HydrophobicContact CD1-CD1 4.01Å; L238-Y297 HydrophobicContact CD2-CD1 4.44Å; L238-Y297 HydrophobicContact CG-CD1 4.24Å; I288-Y297 HydrophobicContact CB-CE2 4.42Å; I288-Y297 HydrophobicContact CG1-CE2 3.84Å; I288-Y297 HydrophobicContact CG2-CD1 4.32Å; I288-Y297 HydrophobicContact CG2-CE1 3.91Å; I288-Y297 HydrophobicContact CG2-CE2 4.36Å; Q291-Y297 HydrophobicContact CB-CD2 4.27Å; Q291-Y297 HydrophobicContact CB-CG 4.47Å; Q291-Y297 PolarHBondContact O-N 3.46Å; Y297-G299 VanDerWaalsContact C-N 3.31Å; Y297-G299 PolarHBondContact O-N 2.84Å; Y297-L300 WeakPolarHBondContact CE2-O 3.39Å; Y297-L300 VanDerWaalsContact CZ-O 3.28Å; Y297-L300 PolarHBondContact OH-O 3.35Å | ||
| 298 | D | 91.1 | Very high | 96 | Very high | 77 Ų | 77 | 22.6 Ų | 22.6 | 41% | 0.412 | 13% | 0.126 | S | C | . | . | trans | -82.4 | -4 | -175.7 | 64.1 | 4.8 | 0 | 0 | 0 | 114.3 | V296 L300 | V296-D298 PolarHBondContact O-N 2.9Å; D298-L300 VanDerWaalsContact C-N 3.26Å; D298-L300 PolarHBondContact O-N 2.67Å; D298-L300 WeakPolarHBondContact OD1-CB 3.47Å; D298-L300 PolarHBondContact OD1-N 3.3Å | ||
| 299 | G | 90.4 | Very high | 96.1 | Very high | 16 Ų | 16 | 22.3 Ų | 22.3 | 17% | 0.165 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 78.9 | 5.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S230 T234 Y297 | S230-G299 PolarHBondContact OG-O 2.78Å; T234-G299 WeakPolarHBondContact OG1-CA 3.19Å; T234-G299 PolarHBondContact OG1-O 3.49Å; Y297-G299 VanDerWaalsContact C-N 3.31Å; Y297-G299 PolarHBondContact O-N 2.84Å |
| 300 | L | 90.6 | Very high | 96.1 | Very high | 90 Ų | 90 | 21.9 Ų | 21.9 | 47% | 0.471 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -97.7 | 150.6 | 177.3 | -56.5 | 179.4 | 0 | 0 | 0 | 110.7 | Y297 D298 P302 | Y297-L300 WeakPolarHBondContact CE2-O 3.39Å; Y297-L300 VanDerWaalsContact CZ-O 3.28Å; Y297-L300 PolarHBondContact OH-O 3.35Å; D298-L300 VanDerWaalsContact C-N 3.26Å; D298-L300 PolarHBondContact O-N 2.67Å; D298-L300 WeakPolarHBondContact OD1-CB 3.47Å; D298-L300 PolarHBondContact OD1-N 3.3Å; L300-P302 WeakPolarHBondContact O-CD 3.34Å |
| 301 | L | 92.2 | Very high | 96.1 | Very high | 43 Ų | 43 | 22 Ų | 22 | 23% | 0.225 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 125.5 | 174.3 | -64.9 | 176.9 | 0 | 0 | 0 | 109.3 | V233 P303 | V233-L301 HydrophobicContact CB-CD2 4.09Å; V233-L301 HydrophobicContact CG1-CD2 4.12Å; V233-L301 HydrophobicContact CG2-CD2 3.89Å; L301-P303 WeakPolarHBondContact O-CD 3.19Å |
| 302 | P | 95.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 124.1 | 177.9 | -26.5 | 34.8 | 0 | 0 | 0 | 111.1 | R31 D284 L287 I288 L300 A306 Y326 | R31-P302 WeakPolarHBondContact CD-O 3.4Å; R31-P302 PolarHBondContact NH1-O 3.49Å; D284-P302 HydrophobicContact CB-CB 4.34Å; D284-P302 HydrophobicContact CB-CG 4.28Å; L287-P302 HydrophobicContact CB-CB 4.33Å; L287-P302 HydrophobicContact CB-CG 3.98Å; L287-P302 HydrophobicContact CD1-CB 3.83Å; L287-P302 HydrophobicContact CD1-CG 4.39Å; I288-P302 HydrophobicContact CD1-CG 4.2Å; I288-P302 HydrophobicContact CG1-CG 3.7Å; L300-P302 WeakPolarHBondContact O-CD 3.34Å; P302-A306 HydrophobicContact CB-CB 4.25Å; P302-Y326 WeakPolarHBondContact CA-OH 3.07Å; P302-Y326 WeakPolarHBondContact CB-OH 3.39Å |
| 303 | P | 96.8 | Very high | 96 | Very high | 50 Ų | 50 | 23 Ų | 23 | 33% | 0.325 | 13% | 0.126 | S | C | . | . | P | Polyproline II helix | trans | -67.2 | 167 | 178.6 | 24.5 | -29.7 | 0 | 0 | 0 | 111.8 | R31 L301 A306 N328 | R31-P303 VanDerWaalsContact CD-O 3.25Å; R31-P303 WeakPolarHBondContact CD-O 3.39Å; R31-P303 VanDerWaalsContact NH1-C 3.34Å; L301-P303 WeakPolarHBondContact O-CD 3.19Å; P303-A306 HydrophobicContact CG-CB 4.05Å; P303-A306 WeakPolarHBondContact O-CB 3.37Å; P303-A306 PolarHBondContact O-N 2.99Å; P303-A306 VanDerWaalsContact O-N 3.16Å; P303-N328 HydrophobicContact CG-CB 3.82Å; P303-N328 WeakPolarHBondContact CG-O 3.37Å |
| 304 | Y | 98.5 | Very high | 95.9 | Very high | 32 Ų | 32 | 25.3 Ų | 25.3 | 13% | 0.125 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 142.5 | 176.8 | -69.3 | -53.8 | 0 | 0 | 0 | 111.1 | R31 H32 G33 D34 R35 I208 A306 | R31-Y304 VanDerWaalsContact CZ-CD1 3.46Å; R31-Y304 VanDerWaalsContact CZ-CE1 3.44Å; H32-Y304 AromaticContact CE1-CE1 3.78Å; G33-Y304 VanDerWaalsContact O-CD1 3.29Å; G33-Y304 WeakPolarHBondContact O-CD1 3.46Å; D34-Y304 HydrophobicContact CB-CD2 3.77Å; D34-Y304 HydrophobicContact CB-CE2 4.08Å; D34-Y304 HydrophobicContact CB-CG 4.19Å; D34-Y304 WeakPolarHBondContact OD2-CE2 3.35Å; R35-Y304 HydrophobicContact CG-CE1 3.87Å; R35-Y304 WeakPolarHBondContact CG-OH 3.46Å; I208-Y304 HydrophobicContact CD1-CE2 4.06Å; Y304-A306 PolarHBondContact O-N 3.32Å; Y304-A306 VanDerWaalsContact O-N 3.09Å |
| 305 | A | 98.5 | Very high | 95.7 | Very high | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.033 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 16.4 | -174 | 0 | 0 | 0 | 0 | 0 | 115.4 | R31 H32 Q65 | R31-A305 WeakPolarHBondContact O-CA 3.49Å; H32-A305 PolarHBondContact O-N 2.9Å; Q65-A305 HydrophobicContact CB-CB 3.96Å |
| 306 | A | 98.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | trans | -60.9 | 141.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | F30 R31 L287 P302 P303 Y304 Y326 R327 | F30-A306 CarbonylContact C-O 3.52Å; F30-A306 WeakPolarHBondContact CA-O 3.26Å; F30-A306 VanDerWaalsContact CB-O 3.26Å; F30-A306 WeakPolarHBondContact CB-O 3.28Å; R31-A306 PolarHBondContact N-O 3.48Å; L287-A306 HydrophobicContact CD1-CB 3.98Å; P302-A306 HydrophobicContact CB-CB 4.25Å; P303-A306 HydrophobicContact CG-CB 4.05Å; P303-A306 WeakPolarHBondContact O-CB 3.37Å; P303-A306 PolarHBondContact O-N 2.99Å; P303-A306 VanDerWaalsContact O-N 3.16Å; Y304-A306 PolarHBondContact O-N 3.32Å; Y304-A306 VanDerWaalsContact O-N 3.09Å; A306-Y326 HydrophobicContact CB-CE2 3.96Å; A306-R327 CarbonylContact C-O 3.53Å; A306-R327 WeakPolarHBondContact CA-O 3.31Å | ||
| 307 | C | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 124.6 | -172.8 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | V29 F30 L69 R327 | V29-C307 CarbonylContact O-C 3.55Å; V29-C307 WeakPolarHBondContact O-CA 3.47Å; F30-C307 HydrophobicContact CB-CB 3.94Å; L69-C307 HydrophobicContact CD1-CB 3.93Å; L69-C307 HydrophobicContact CD2-CB 4.24Å; C307-R327 HydrophobicContact CB-CB 4.4Å; C307-R327 PolarHBondContact N-O 3.47Å; C307-R327 PolarHBondContact O-N 2.75Å |
| 308 | Q | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 121 | 166.8 | -177.2 | 67.6 | 54.7 | 0 | 0 | 108.9 | V29 L287 L290 F310 H325 | V29-Q308 PolarHBondContact N-O 3.09Å; V29-Q308 PolarHBondContact O-N 3.5Å; L287-Q308 HydrophobicContact CD2-CB 3.94Å; L290-Q308 HydrophobicContact CD2-CG 4.36Å; Q308-F310 HydrophobicContact CB-CE2 4.45Å; Q308-F310 HydrophobicContact CG-CD2 4.25Å; Q308-F310 HydrophobicContact CG-CE2 3.54Å; Q308-F310 HydrophobicContact CG-CZ 4.07Å; Q308-H325 PolarHBondContact NE2-O 3Å; Q308-H325 VanDerWaalsContact NE2-O 3.07Å |
| 309 | L | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 142.2 | 177 | -60.2 | 167.9 | 0 | 0 | 0 | 110 | V27 A28 F72 L73 Y77 L324 H325 P334 | V27-L309 CarbonylContact O-C 3.38Å; V27-L309 WeakPolarHBondContact O-CA 3.48Å; A28-L309 HydrophobicContact CB-CD2 3.72Å; F72-L309 HydrophobicContact CE1-CD1 4.2Å; L73-L309 HydrophobicContact CD2-CD2 3.85Å; Y77-L309 HydrophobicContact CE2-CD2 4.41Å; L309-L324 WeakPolarHBondContact O-CA 3.46Å; L309-H325 HydrophobicContact CB-CB 4.15Å; L309-H325 HydrophobicContact CD1-CB 4.19Å; L309-H325 PolarHBondContact N-O 3.31Å; L309-H325 PolarHBondContact O-N 3.23Å; L309-H325 VanDerWaalsContact O-N 3.08Å; L309-P334 HydrophobicContact CD1-CG 4.41Å |
| 310 | F | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122.1 | 167.7 | -58.6 | -113.3 | 0 | 0 | 0 | 107.4 | V26 V27 V29 L254 I257 F261 L290 L294 Q308 L324 | V26-F310 CarbonylContact C-O 3.56Å; V26-F310 VanDerWaalsContact CA-O 3.31Å; V26-F310 WeakPolarHBondContact CA-O 3.47Å; V27-F310 HydrophobicContact CB-CB 4.24Å; V27-F310 HydrophobicContact CB-CD2 4.35Å; V27-F310 PolarHBondContact N-O 3.44Å; V27-F310 PolarHBondContact O-N 3.42Å; V29-F310 HydrophobicContact CG2-CE2 4.43Å; L254-F310 HydrophobicContact CD1-CE1 4.16Å; I257-F310 HydrophobicContact CD1-CD1 4.49Å; I257-F310 HydrophobicContact CD1-CD2 4.05Å; I257-F310 HydrophobicContact CD1-CE1 4.17Å; I257-F310 HydrophobicContact CD1-CE2 3.7Å; I257-F310 HydrophobicContact CD1-CG 4.46Å; I257-F310 HydrophobicContact CD1-CZ 3.77Å; I257-F310 HydrophobicContact CG2-CB 4.49Å; I257-F310 HydrophobicContact CG2-CD1 3.94Å; I257-F310 HydrophobicContact CG2-CE1 4.37Å; I257-F310 HydrophobicContact CG2-CG 4.17Å; F261-F310 HydrophobicContact CZ-CB 3.95Å; L290-F310 HydrophobicContact CD1-CZ 4.15Å; L290-F310 HydrophobicContact CD2-CE2 3.8Å; L290-F310 HydrophobicContact CD2-CZ 3.81Å; L290-F310 HydrophobicContact CG-CZ 4.15Å; L294-F310 HydrophobicContact CD1-CE1 3.91Å; L294-F310 HydrophobicContact CD1-CZ 3.73Å; L294-F310 HydrophobicContact CD2-CE1 4.4Å; Q308-F310 HydrophobicContact CB-CE2 4.45Å; Q308-F310 HydrophobicContact CG-CD2 4.25Å; Q308-F310 HydrophobicContact CG-CE2 3.54Å; Q308-F310 HydrophobicContact CG-CZ 4.07Å; F310-L324 HydrophobicContact CB-CD2 4.19Å; F310-L324 HydrophobicContact CD1-CD2 3.09Å; F310-L324 HydrophobicContact CD2-CD2 4.44Å; F310-L324 HydrophobicContact CE1-CD2 3.41Å; F310-L324 VanDerWaalsContact CE1-CD2 3.41Å; F310-L324 HydrophobicContact CG-CD2 3.66Å; F310-L324 HydrophobicContact CZ-CD2 4.2Å |
| 311 | E | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.8 | -179.5 | -63.6 | 178.5 | 156.7 | 0 | 0 | 108.3 | L23 V26 R76 Y77 Y313 V322 E323 H325 | L23-E311 HydrophobicContact CD1-CB 3.92Å; L23-E311 HydrophobicContact CD1-CG 4.48Å; V26-E311 HydrophobicContact CG2-CG 4.49Å; R76-E311 IonicContact CZ-OE1 3.38Å; R76-E311 VanDerWaalsContact CZ-OE1 3.23Å; R76-E311 IonicContact CZ-OE2 3.48Å; R76-E311 IonicContact NE-OE1 3.3Å; R76-E311 PolarHBondContact NE-OE1 3.43Å; R76-E311 VanDerWaalsContact NH2-CD 3.27Å; R76-E311 IonicContact NH2-OE1 2.74Å; R76-E311 PolarHBondContact NH2-OE1 3.21Å; R76-E311 IonicContact NH2-OE2 2.82Å; R76-E311 PolarHBondContact NH2-OE2 2.82Å; Y77-E311 HydrophobicContact CE1-CG 4.3Å; Y77-E311 WeakPolarHBondContact CE1-OE1 3.34Å; Y77-E311 PolarHBondContact OH-OE1 3.48Å; E311-Y313 HydrophobicContact CB-CD2 4.27Å; E311-Y313 HydrophobicContact CB-CE2 3.4Å; E311-Y313 VanDerWaalsContact CB-CE2 3.4Å; E311-Y313 PolarHBondContact OE2-OH 3Å; E311-Y313 VanDerWaalsContact OE2-OH 3.08Å; E311-V322 CarbonylContact O-C 3.45Å; E311-V322 WeakPolarHBondContact O-CA 3.49Å; E311-E323 HydrophobicContact CB-CB 4.33Å; E311-E323 PolarHBondContact N-O 3.43Å; E311-E323 PolarHBondContact O-N 2.55Å; E311-H325 IonicContact OE2-CD2 3.47Å; E311-H325 PolarHBondContact OE2-CD2 2.91Å; E311-H325 IonicContact OE2-NE2 3.59Å; E311-H325 PolarHBondContact OE2-NE2 3.48Å |
| 312 | F | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.5 | -175.4 | -178.9 | -121 | 0 | 0 | 0 | 109.8 | K24 F25 F261 M265 Y320 S321 V322 L350 | K24-F312 HydrophobicContact CB-CD1 3.97Å; K24-F312 HydrophobicContact CB-CE1 4.44Å; K24-F312 PolarHBondContact N-O 3.47Å; F25-F312 HydrophobicContact CB-CB 3.98Å; F25-F312 HydrophobicContact CB-CD1 4.06Å; F25-F312 HydrophobicContact CB-CG 4.49Å; F25-F312 PolarHBondContact N-O 3.43Å; F25-F312 WeakPolarHBondContact O-CB 3.38Å; F25-F312 PolarHBondContact O-N 2.93Å; F261-F312 HydrophobicContact CB-CD1 4.17Å; F261-F312 HydrophobicContact CB-CD2 4.14Å; F261-F312 HydrophobicContact CB-CE1 4.11Å; F261-F312 HydrophobicContact CB-CE2 4.09Å; F261-F312 HydrophobicContact CB-CG 4.18Å; F261-F312 HydrophobicContact CB-CZ 4.07Å; F261-F312 HydrophobicContact CD1-CB 3.76Å; F261-F312 HydrophobicContact CD1-CD1 4.2Å; F261-F312 HydrophobicContact CD1-CD2 4.31Å; F261-F312 AromaticContact CD1-CG 3.84Å; F261-F312 HydrophobicContact CD1-CG 3.84Å; F261-F312 HydrophobicContact CD2-CD2 4.06Å; F261-F312 HydrophobicContact CD2-CG 4.4Å; F261-F312 HydrophobicContact CE1-CB 3.76Å; F261-F312 HydrophobicContact CE1-CG 4.32Å; F261-F312 HydrophobicContact CG-CB 4.25Å; F261-F312 HydrophobicContact CG-CD1 4.3Å; F261-F312 AromaticContact CG-CD2 3.93Å; F261-F312 HydrophobicContact CG-CD2 3.93Å; F261-F312 HydrophobicContact CG-CE2 4.35Å; F261-F312 AromaticContact CG-CG 3.9Å; F261-F312 HydrophobicContact CG-CG 3.9Å; F261-F312 HydrophobicContact CZ-CB 4.23Å; M265-F312 HydrophobicContact CG-CE1 3.8Å; M265-F312 HydrophobicContact CG-CZ 3.73Å; M265-F312 HydrophobicContact SD-CE1 4.49Å; M265-F312 HydrophobicContact SD-CZ 3.84Å; F312-Y320 AromaticContact CE1-CD1 3.68Å; F312-Y320 HydrophobicContact CE1-CD1 3.68Å; F312-Y320 HydrophobicContact CE1-CE1 4.09Å; F312-Y320 HydrophobicContact CE1-CG 4.49Å; F312-Y320 AromaticContact CE2-CD1 3.96Å; F312-Y320 HydrophobicContact CE2-CD1 3.96Å; F312-Y320 HydrophobicContact CE2-CG 4.12Å; F312-Y320 AromaticContact CZ-CD1 3.26Å; F312-Y320 HydrophobicContact CZ-CD1 3.26Å; F312-Y320 HydrophobicContact CZ-CE1 4.03Å; F312-Y320 AromaticContact CZ-CG 3.64Å; F312-Y320 HydrophobicContact CZ-CG 3.64Å; F312-S321 VanDerWaalsContact CD2-O 3.3Å; F312-S321 WeakPolarHBondContact CD2-O 3.44Å; F312-V322 HydrophobicContact CD2-CG2 4.04Å; F312-L350 HydrophobicContact CE2-CB 4.49Å; F312-L350 HydrophobicContact CE2-CD1 3.99Å; F312-L350 HydrophobicContact CE2-CD2 3.8Å; F312-L350 HydrophobicContact CE2-CG 4.29Å; F312-L350 HydrophobicContact CZ-CD2 4.04Å |
| 313 | Y | 95 | Very high | 95.9 | Very high | 28 Ų | 28 | 27.4 Ų | 27.4 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 148.1 | -172.9 | -66.4 | -90.4 | 0 | 0 | 0 | 111.4 | Q22 L23 E311 Y320 S321 E323 | Q22-Y313 WeakPolarHBondContact O-CA 3.06Å; L23-Y313 HydrophobicContact CB-CD1 4.13Å; L23-Y313 HydrophobicContact CB-CE1 3.82Å; L23-Y313 HydrophobicContact CD1-CD1 4.23Å; L23-Y313 HydrophobicContact CD1-CE1 3.8Å; L23-Y313 HydrophobicContact CD1-CE2 4.14Å; L23-Y313 HydrophobicContact CG-CE1 4.38Å; E311-Y313 HydrophobicContact CB-CD2 4.27Å; E311-Y313 HydrophobicContact CB-CE2 3.4Å; E311-Y313 VanDerWaalsContact CB-CE2 3.4Å; E311-Y313 PolarHBondContact OE2-OH 3Å; E311-Y313 VanDerWaalsContact OE2-OH 3.08Å; Y313-Y320 VanDerWaalsContact O-CA 3.25Å; Y313-Y320 WeakPolarHBondContact O-CA 3.3Å; Y313-Y320 WeakPolarHBondContact O-CD1 3.14Å; Y313-S321 PolarHBondContact N-O 3.24Å; Y313-S321 PolarHBondContact O-N 2.92Å; Y313-E323 HydrophobicContact CD2-CB 4.41Å; Y313-E323 HydrophobicContact CE2-CB 3.88Å |
| 314 | Q | 93.6 | Very high | 95.9 | Very high | 52 Ų | 52 | 25.1 Ų | 25.1 | 24% | 0.243 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 126.3 | 157.2 | -174.4 | 172.2 | 27.8 | 0 | 0 | 108.3 | Q22 K24 S319 Y320 | Q22-Q314 PolarHBondContact N-O 2.92Å; Q22-Q314 PolarHBondContact O-N 3.05Å; K24-Q314 HydrophobicContact CD-CB 4.34Å; K24-Q314 HydrophobicContact CG-CB 3.93Å; Q314-S319 WeakPolarHBondContact CA-O 3.23Å; Q314-Y320 HydrophobicContact CB-CD1 4.05Å; Q314-Y320 HydrophobicContact CB-CE1 3.81Å; Q314-Y320 HydrophobicContact CG-CD1 4.42Å; Q314-Y320 HydrophobicContact CG-CE1 4Å |
| 315 | E | 93.2 | Very high | 95.8 | Very high | 39 Ų | 39 | 24.3 Ų | 24.3 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | trans | -84.5 | 165.7 | 178.9 | -56.2 | -60 | 161.5 | 0 | 0 | 111.1 | Q21 D317 G318 S319 S321 | Q21-E315 WeakPolarHBondContact CG-OE2 3.17Å; E315-D317 WeakPolarHBondContact CB-OD1 3.27Å; E315-D317 PolarHBondContact O-N 3.12Å; E315-G318 WeakPolarHBondContact O-CA 3.44Å; E315-G318 PolarHBondContact O-N 3.35Å; E315-S319 PolarHBondContact N-O 3.34Å; E315-S321 WeakPolarHBondContact OE1-CB 3.14Å; E315-S321 PolarHBondContact OE1-OG 3.49Å | ||
| 316 | D | 90.8 | Very high | 95.8 | Very high | 94 Ų | 94 | 24.8 Ų | 24.8 | 50% | 0.503 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -28.3 | -176.4 | -69.2 | -27.5 | 0 | 0 | 0 | 113.2 | E19 S20 G318 | E19-D316 WeakPolarHBondContact CA-OD2 3.27Å; E19-D316 WeakPolarHBondContact CB-OD2 3.49Å; S20-D316 VanDerWaalsContact C-OD1 3.32Å; S20-D316 PolarHBondContact N-OD1 2.91Å; S20-D316 VanDerWaalsContact N-OD1 3.08Å; D316-G318 PolarHBondContact O-N 2.86Å |
| 317 | D | 90.9 | Very high | 95.8 | Very high | 129 Ų | 129 | 25.3 Ų | 25.3 | 69% | 0.69 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 3.4 | 175.3 | 70.7 | -7.7 | 0 | 0 | 0 | 113.2 | E315 S319 | E315-D317 WeakPolarHBondContact CB-OD1 3.27Å; E315-D317 PolarHBondContact O-N 3.12Å; D317-S319 PolarHBondContact O-N 3.36Å; D317-S319 WeakPolarHBondContact OD1-CA 3.35Å; D317-S319 WeakPolarHBondContact OD1-CB 3.45Å; D317-S319 PolarHBondContact OD1-N 3.42Å; D317-S319 PolarHBondContact OD1-OG 2.75Å; D317-S319 PolarHBondContact OD2-OG 2.87Å |
| 318 | G | 90.1 | Very high | 95.6 | Very high | 35 Ų | 35 | 27.4 Ų | 27.4 | 36% | 0.361 | 15% | 0.149 | S | C | . | . | S | Bend | trans | 81 | -3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E315 D316 | E315-G318 WeakPolarHBondContact O-CA 3.44Å; E315-G318 PolarHBondContact O-N 3.35Å; D316-G318 PolarHBondContact O-N 2.86Å |
| 319 | S | 92.9 | Very high | 95.3 | Very high | 50 Ų | 50 | 31.1 Ų | 31.1 | 35% | 0.35 | 17% | 0.166 | S | C | . | . | trans | -71.9 | 174 | 172.1 | 77 | 0 | 0 | 0 | 0 | 111.3 | Q314 E315 D317 | Q314-S319 WeakPolarHBondContact CA-O 3.23Å; E315-S319 PolarHBondContact N-O 3.34Å; D317-S319 PolarHBondContact O-N 3.36Å; D317-S319 WeakPolarHBondContact OD1-CA 3.35Å; D317-S319 WeakPolarHBondContact OD1-CB 3.45Å; D317-S319 PolarHBondContact OD1-N 3.42Å; D317-S319 PolarHBondContact OD1-OG 2.75Å; D317-S319 PolarHBondContact OD2-OG 2.87Å | ||
| 320 | Y | 94.8 | Very high | 94.8 | Very high | 40 Ų | 40 | 34.3 Ų | 34.3 | 16% | 0.157 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 148.2 | -178 | -66.1 | -89.5 | 0 | 0 | 0 | 111.3 | M265 F312 Y313 Q314 L350 | M265-Y320 HydrophobicContact CE-CD2 3.77Å; M265-Y320 HydrophobicContact CE-CE2 3.61Å; M265-Y320 HydrophobicContact CG-CD1 4.3Å; M265-Y320 HydrophobicContact CG-CD2 4.5Å; M265-Y320 HydrophobicContact CG-CE1 3.95Å; M265-Y320 HydrophobicContact CG-CE2 4.18Å; M265-Y320 HydrophobicContact SD-CD2 4.21Å; M265-Y320 HydrophobicContact SD-CE2 4.31Å; M265-Y320 HydrophobicContact SD-CG 4.4Å; F312-Y320 AromaticContact CE1-CD1 3.68Å; F312-Y320 HydrophobicContact CE1-CD1 3.68Å; F312-Y320 HydrophobicContact CE1-CE1 4.09Å; F312-Y320 HydrophobicContact CE1-CG 4.49Å; F312-Y320 AromaticContact CE2-CD1 3.96Å; F312-Y320 HydrophobicContact CE2-CD1 3.96Å; F312-Y320 HydrophobicContact CE2-CG 4.12Å; F312-Y320 AromaticContact CZ-CD1 3.26Å; F312-Y320 HydrophobicContact CZ-CD1 3.26Å; F312-Y320 HydrophobicContact CZ-CE1 4.03Å; F312-Y320 AromaticContact CZ-CG 3.64Å; F312-Y320 HydrophobicContact CZ-CG 3.64Å; Y313-Y320 VanDerWaalsContact O-CA 3.25Å; Y313-Y320 WeakPolarHBondContact O-CA 3.3Å; Y313-Y320 WeakPolarHBondContact O-CD1 3.14Å; Q314-Y320 HydrophobicContact CB-CD1 4.05Å; Q314-Y320 HydrophobicContact CB-CE1 3.81Å; Q314-Y320 HydrophobicContact CG-CD1 4.42Å; Q314-Y320 HydrophobicContact CG-CE1 4Å; Y320-L350 WeakPolarHBondContact O-CB 3.31Å; Y320-L350 PolarHBondContact O-N 3.45Å |
| 321 | S | 96.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 3% | 0.028 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 162.7 | 177.6 | 79.4 | 0 | 0 | 0 | 0 | 112.3 | F312 Y313 E315 C348 | F312-S321 VanDerWaalsContact CD2-O 3.3Å; F312-S321 WeakPolarHBondContact CD2-O 3.44Å; Y313-S321 PolarHBondContact N-O 3.24Å; Y313-S321 PolarHBondContact O-N 2.92Å; E315-S321 WeakPolarHBondContact OE1-CB 3.14Å; E315-S321 PolarHBondContact OE1-OG 3.49Å; S321-C348 CarbonylContact C-O 3.54Å; S321-C348 VanDerWaalsContact CA-O 3.27Å; S321-C348 WeakPolarHBondContact CA-O 3.24Å; S321-C348 WeakPolarHBondContact CB-O 3.29Å |
| 322 | V | 97 | Very high | 93.7 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.8 | 175.6 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | F261 E311 F312 L324 C348 L350 F353 | F261-V322 HydrophobicContact CD2-CG2 4.03Å; F261-V322 HydrophobicContact CE2-CG1 4.09Å; F261-V322 HydrophobicContact CE2-CG2 3.69Å; F261-V322 HydrophobicContact CZ-CG1 4.4Å; E311-V322 CarbonylContact O-C 3.45Å; E311-V322 WeakPolarHBondContact O-CA 3.49Å; F312-V322 HydrophobicContact CD2-CG2 4.04Å; V322-L324 HydrophobicContact CG1-CD2 4.04Å; V322-C348 PolarHBondContact N-O 3.21Å; V322-C348 PolarHBondContact O-N 3.31Å; V322-L350 HydrophobicContact CG2-CD1 3.82Å; V322-F353 HydrophobicContact CB-CD1 4.47Å; V322-F353 HydrophobicContact CG2-CD1 4.08Å; V322-F353 HydrophobicContact CG2-CE1 4.49Å; V322-F353 HydrophobicContact CG2-CG 4.46Å |
| 323 | E | 96.8 | Very high | 93.5 | Very high | 15 Ų | 15 | 47.9 Ų | 47.9 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 139.6 | 170 | -162.1 | 162.6 | -165.6 | 0 | 0 | 109.7 | E311 Y313 H325 R347 | E311-E323 HydrophobicContact CB-CB 4.33Å; E311-E323 PolarHBondContact N-O 3.43Å; E311-E323 PolarHBondContact O-N 2.55Å; Y313-E323 HydrophobicContact CD2-CB 4.41Å; Y313-E323 HydrophobicContact CE2-CB 3.88Å; E323-H325 IonicContact OE1-CE1 2.76Å; E323-H325 IonicContact OE1-NE2 3.36Å; E323-R347 HydrophobicContact CB-CG 4.11Å; E323-R347 HydrophobicContact CG-CG 4.22Å; E323-R347 IonicContact OE1-NH2 3.95Å; E323-R347 IonicContact OE2-CZ 3.15Å; E323-R347 VanDerWaalsContact OE2-CZ 3.23Å; E323-R347 IonicContact OE2-NE 2.61Å; E323-R347 PolarHBondContact OE2-NE 3.48Å; E323-R347 IonicContact OE2-NH2 2.69Å; E323-R347 PolarHBondContact OE2-NH2 3.09Å |
| 324 | L | 97.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 135.9 | -177.9 | -57.4 | 174 | 0 | 0 | 0 | 110.1 | L294 L309 F310 V322 S337 V339 F353 | L294-L324 HydrophobicContact CD1-CD1 4.35Å; L294-L324 HydrophobicContact CD2-CD1 4.41Å; L309-L324 WeakPolarHBondContact O-CA 3.46Å; F310-L324 HydrophobicContact CB-CD2 4.19Å; F310-L324 HydrophobicContact CD1-CD2 3.09Å; F310-L324 HydrophobicContact CD2-CD2 4.44Å; F310-L324 HydrophobicContact CE1-CD2 3.41Å; F310-L324 VanDerWaalsContact CE1-CD2 3.41Å; F310-L324 HydrophobicContact CG-CD2 3.66Å; F310-L324 HydrophobicContact CZ-CD2 4.2Å; V322-L324 HydrophobicContact CG1-CD2 4.04Å; L324-S337 WeakPolarHBondContact CB-O 3.39Å; L324-S337 WeakPolarHBondContact CD1-O 3.14Å; L324-S337 PolarHBondContact O-N 3.49Å; L324-V339 HydrophobicContact CD1-CG2 3.31Å; L324-V339 HydrophobicContact CG-CG2 4.28Å; L324-F353 HydrophobicContact CD1-CE2 4.36Å |
| 325 | H | 97.5 | Very high | 93.5 | Very high | 14 Ų | 14 | 49.5 Ų | 49.5 | 7% | 0.065 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 140.2 | 175 | -63.6 | -87.1 | 0 | 0 | 0 | 111.7 | R76 Q308 L309 E311 E323 P334 Y335 | R76-H325 PolarHBondContact NH2-CD2 3.45Å; R76-H325 PolarHBondContact NH2-NE2 3.18Å; R76-H325 VanDerWaalsContact NH2-NE2 3.2Å; Q308-H325 PolarHBondContact NE2-O 3Å; Q308-H325 VanDerWaalsContact NE2-O 3.07Å; L309-H325 HydrophobicContact CB-CB 4.15Å; L309-H325 HydrophobicContact CD1-CB 4.19Å; L309-H325 PolarHBondContact N-O 3.31Å; L309-H325 PolarHBondContact O-N 3.23Å; L309-H325 VanDerWaalsContact O-N 3.08Å; E311-H325 IonicContact OE2-CD2 3.47Å; E311-H325 PolarHBondContact OE2-CD2 2.91Å; E311-H325 IonicContact OE2-NE2 3.59Å; E311-H325 PolarHBondContact OE2-NE2 3.48Å; E323-H325 IonicContact OE1-CE1 2.76Å; E323-H325 IonicContact OE1-NE2 3.36Å; H325-P334 HydrophobicContact CB-CB 3.69Å; H325-Y335 CarbonylContact C-O 3.53Å; H325-Y335 WeakPolarHBondContact CA-O 3.41Å |
| 326 | Y | 97.9 | Very high | 93.5 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 6% | 0.055 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 111.4 | 174.9 | -176.8 | -135 | 0 | 0 | 0 | 110.5 | L287 Q291 P302 A306 N328 Y335 S337 | L287-Y326 HydrophobicContact CD1-CE2 4.48Å; Q291-Y326 VanDerWaalsContact NE2-CE2 3.29Å; P302-Y326 WeakPolarHBondContact CA-OH 3.07Å; P302-Y326 WeakPolarHBondContact CB-OH 3.39Å; A306-Y326 HydrophobicContact CB-CE2 3.96Å; Y326-N328 HydrophobicContact CD1-CB 4.07Å; Y326-N328 HydrophobicContact CE1-CB 3.58Å; Y326-N328 HydrophobicContact CE2-CB 4.38Å; Y326-Y335 PolarHBondContact N-O 2.92Å; Y326-Y335 PolarHBondContact O-N 3.27Å; Y326-S337 WeakPolarHBondContact CB-OG 3.45Å; Y326-S337 PolarHBondContact N-OG 3.07Å |
| 327 | R | 97.6 | Very high | 93.6 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 102.6 | 173.9 | -171.3 | -177.5 | 179.8 | -78.7 | 4.9 | 108.8 | A306 C307 S330 P334 | A306-R327 CarbonylContact C-O 3.53Å; A306-R327 WeakPolarHBondContact CA-O 3.31Å; C307-R327 HydrophobicContact CB-CB 4.4Å; C307-R327 PolarHBondContact N-O 3.47Å; C307-R327 PolarHBondContact O-N 2.75Å; R327-S330 VanDerWaalsContact NH2-CA 3.27Å; R327-S330 PolarHBondContact NH2-OG 3.19Å; R327-S330 VanDerWaalsContact NH2-OG 3.12Å; R327-P334 HydrophobicContact CB-CB 4.06Å; R327-P334 HydrophobicContact CB-CG 4.01Å; R327-P334 HydrophobicContact CG-CG 4.28Å |
| 328 | N | 95.6 | Very high | 93.7 | Very high | 44 Ų | 44 | 48.9 Ų | 48.9 | 24% | 0.235 | 27% | 0.266 | C | S | . | . | trans | -111.4 | -1.8 | 178.6 | 64.8 | -10.7 | 0 | 0 | 0 | 113.2 | P303 Y326 Y335 | P303-N328 HydrophobicContact CG-CB 3.82Å; P303-N328 WeakPolarHBondContact CG-O 3.37Å; Y326-N328 HydrophobicContact CD1-CB 4.07Å; Y326-N328 HydrophobicContact CE1-CB 3.58Å; Y326-N328 HydrophobicContact CE2-CB 4.38Å; N328-Y335 VanDerWaalsContact OD1-CD2 3.25Å; N328-Y335 WeakPolarHBondContact OD1-CD2 3.34Å; N328-Y335 WeakPolarHBondContact OD1-CE2 3.46Å | ||
| 329 | E | 92.3 | Very high | 93.8 | Very high | 77 Ų | 77 | 47.8 Ų | 47.8 | 36% | 0.36 | 25% | 0.252 | S | S | . | . | trans | -142.4 | 161.2 | 172.3 | 62.8 | 178.2 | -146.3 | 0 | 0 | 111 | S332 Y335 | E329-S332 VanDerWaalsContact CD-OG 3.22Å; E329-S332 WeakPolarHBondContact CG-OG 3.37Å; E329-S332 WeakPolarHBondContact OE1-CB 3.3Å; E329-S332 PolarHBondContact OE1-OG 3.36Å; E329-Y335 HydrophobicContact CG-CE2 4.26Å; E329-Y335 PolarHBondContact OE1-OH 3.35Å | ||
| 330 | S | 87.3 | Confident | 93.8 | Very high | 68 Ų | 68 | 48.4 Ų | 48.4 | 48% | 0.476 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -92 | -16.8 | -176.4 | -74.7 | 0 | 0 | 0 | 0 | 115 | R327 | R327-S330 VanDerWaalsContact NH2-CA 3.27Å; R327-S330 PolarHBondContact NH2-OG 3.19Å; R327-S330 VanDerWaalsContact NH2-OG 3.12Å |
| 331 | S | 86.1 | Confident | 93.6 | Very high | 111 Ų | 111 | 49.8 Ų | 49.8 | 78% | 0.776 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -89.6 | -8.9 | -173.4 | 43.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 332 | S | 88.8 | Confident | 93.4 | Very high | 38 Ų | 38 | 50 Ų | 50 | 27% | 0.266 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -131.7 | 164.7 | -177.8 | 64.9 | 0 | 0 | 0 | 0 | 112.3 | E329 | E329-S332 VanDerWaalsContact CD-OG 3.22Å; E329-S332 WeakPolarHBondContact CG-OG 3.37Å; E329-S332 WeakPolarHBondContact OE1-CB 3.3Å; E329-S332 PolarHBondContact OE1-OG 3.36Å |
| 333 | E | 91.8 | Very high | 92.7 | Very high | 136 Ų | 136 | 53.6 Ų | 53.6 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 147.9 | 170 | -72.6 | -59.3 | 140 | 0 | 0 | 110.7 | Y335 | E333-Y335 PolarHBondContact O-N 2.71Š|
| 334 | P | 94.4 | Very high | 92 | Very high | 9 Ų | 9 | 54.9 Ų | 54.9 | 6% | 0.058 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 135.4 | 178.1 | -24.9 | 33.4 | 0 | 0 | 0 | 113.4 | F72 L309 H325 R327 | F72-P334 HydrophobicContact CE1-CG 4.19Å; F72-P334 HydrophobicContact CE2-CG 3.98Å; F72-P334 HydrophobicContact CZ-CG 3.37Å; L309-P334 HydrophobicContact CD1-CG 4.41Å; H325-P334 HydrophobicContact CB-CB 3.69Å; R327-P334 HydrophobicContact CB-CB 4.06Å; R327-P334 HydrophobicContact CB-CG 4.01Å; R327-P334 HydrophobicContact CG-CG 4.28Å |
| 335 | Y | 94.3 | Very high | 91.5 | Very high | 106 Ų | 106 | 59.2 Ų | 59.2 | 42% | 0.416 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 130.2 | 178.4 | -63.7 | -87.7 | 0 | 0 | 0 | 110.8 | H325 Y326 N328 E329 E333 S337 | H325-Y335 CarbonylContact C-O 3.53Å; H325-Y335 WeakPolarHBondContact CA-O 3.41Å; Y326-Y335 PolarHBondContact N-O 2.92Å; Y326-Y335 PolarHBondContact O-N 3.27Å; N328-Y335 VanDerWaalsContact OD1-CD2 3.25Å; N328-Y335 WeakPolarHBondContact OD1-CD2 3.34Å; N328-Y335 WeakPolarHBondContact OD1-CE2 3.46Å; E329-Y335 HydrophobicContact CG-CE2 4.26Å; E329-Y335 PolarHBondContact OE1-OH 3.35Å; E333-Y335 PolarHBondContact O-N 2.71Å; Y335-S337 PolarHBondContact O-N 2.57Å |
| 336 | P | 93.9 | Very high | 90.9 | Very high | 79 Ų | 79 | 61.2 Ų | 61.2 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 123.9 | 173.4 | -21.5 | 32.6 | 0 | 0 | 0 | 111.3 | R338 | P336-R338 PolarHBondContact O-N 3.01Å |
| 337 | S | 91.8 | Very high | 90.6 | Very high | 17 Ų | 17 | 64.6 Ų | 64.6 | 12% | 0.119 | 39% | 0.389 | C | S | . | . | trans | -96.9 | 77.6 | 178 | -47.7 | 0 | 0 | 0 | 0 | 110.1 | L324 Y326 Y335 V339 | L324-S337 WeakPolarHBondContact CB-O 3.39Å; L324-S337 WeakPolarHBondContact CD1-O 3.14Å; L324-S337 PolarHBondContact O-N 3.49Å; Y326-S337 WeakPolarHBondContact CB-OG 3.45Å; Y326-S337 PolarHBondContact N-OG 3.07Å; Y335-S337 PolarHBondContact O-N 2.57Å; S337-V339 PolarHBondContact O-N 3.45Å | ||
| 338 | R | 92.8 | Very high | 90.5 | Very high | 153 Ų | 153 | 64 Ų | 64 | 58% | 0.577 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 125.8 | -175.9 | -61.1 | -175.8 | -171.5 | -171.8 | 5.8 | 111.2 | P336 P340 G344 | P336-R338 PolarHBondContact O-N 3.01Å; R338-P340 WeakPolarHBondContact O-CD 3.45Å; R338-G344 PolarHBondContact NH1-O 3.31Å; R338-G344 VanDerWaalsContact NH1-O 3.17Å |
| 339 | V | 92.3 | Very high | 90.5 | Very high | 12 Ų | 12 | 64.2 Ų | 64.2 | 7% | 0.073 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -70 | 120.7 | 179.5 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | L324 S337 G341 C342 C348 F353 L356 | L324-V339 HydrophobicContact CD1-CG2 3.31Å; L324-V339 HydrophobicContact CG-CG2 4.28Å; S337-V339 PolarHBondContact O-N 3.45Å; V339-G341 PolarHBondContact O-N 3.19Å; V339-C342 HydrophobicContact CB-CB 4.15Å; V339-C342 WeakPolarHBondContact O-CB 3.42Å; V339-C342 PolarHBondContact O-N 3.45Å; V339-C342 VanDerWaalsContact O-N 3.14Å; V339-C348 HydrophobicContact CG2-CB 4.47Å; V339-F353 HydrophobicContact CB-CD2 4.47Å; V339-F353 HydrophobicContact CG1-CD2 4.12Å; V339-F353 HydrophobicContact CG1-CE2 4.29Å; V339-F353 HydrophobicContact CG2-CD2 3.8Å; V339-F353 HydrophobicContact CG2-CE2 3.7Å; V339-L356 HydrophobicContact CG1-CD1 4.04Å |
| 340 | P | 92.7 | Very high | 90.7 | Very high | 63 Ų | 63 | 61.7 Ų | 61.7 | 41% | 0.409 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 137.6 | 175.8 | -25.3 | 36 | 0 | 0 | 0 | 111.3 | D295 R338 C342 | D295-P340 HydrophobicContact CB-CG 4.21Å; D295-P340 WeakPolarHBondContact O-CG 3.5Å; R338-P340 WeakPolarHBondContact O-CD 3.45Å; P340-C342 VanDerWaalsContact C-N 3.32Å |
| 341 | G | 90.3 | Very high | 91 | Very high | 69 Ų | 69 | 63.7 Ų | 63.7 | 71% | 0.711 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V339 G343 | V339-G341 PolarHBondContact O-N 3.19Å; G341-G343 VanDerWaalsContact C-N 3.31Å; G341-G343 PolarHBondContact O-N 3.28Å |
| 342 | C | 92 | Very high | 91.5 | Very high | 7 Ų | 7 | 60.5 Ų | 60.5 | 5% | 0.047 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -92.8 | 35.4 | 178.8 | -149.3 | 0 | 0 | 0 | 0 | 114.4 | V339 P340 G344 L345 C348 L356 | V339-C342 HydrophobicContact CB-CB 4.15Å; V339-C342 WeakPolarHBondContact O-CB 3.42Å; V339-C342 PolarHBondContact O-N 3.45Å; V339-C342 VanDerWaalsContact O-N 3.14Å; P340-C342 VanDerWaalsContact C-N 3.32Å; C342-G344 PolarHBondContact O-N 3.35Å; C342-L345 PolarHBondContact O-N 2.92Å; C342-C348 HydrophobicContact CB-CB 3.9Å; C342-C348 WeakPolarHBondContact CB-SG 3.34Å; C342-C348 WeakPolarHBondContact SG-CA 3.42Å; C342-C348 WeakPolarHBondContact SG-CB 3.37Å; C342-C348 CovalentContact SG-SG 2.02Å; C342-C348 PolarHBondContact SG-SG 2.95Å; C342-L356 HydrophobicContact CB-CD1 3.95Å |
| 343 | G | 83.8 | Confident | 91.9 | Very high | 77 Ų | 77 | 58.7 Ų | 58.7 | 79% | 0.794 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 13.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | G341 L345 | G341-G343 VanDerWaalsContact C-N 3.31Å; G341-G343 PolarHBondContact O-N 3.28Å; G343-L345 PolarHBondContact O-N 2.9Å |
| 344 | G | 82 | Confident | 92.1 | Very high | 43 Ų | 43 | 54.6 Ų | 54.6 | 44% | 0.443 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 5.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R338 C342 | R338-G344 PolarHBondContact NH1-O 3.31Å; R338-G344 VanDerWaalsContact NH1-O 3.17Å; C342-G344 PolarHBondContact O-N 3.35Å |
| 345 | L | 85.6 | Confident | 92.2 | Very high | 93 Ų | 93 | 60.3 Ų | 60.3 | 49% | 0.487 | 36% | 0.364 | S | S | . | . | trans | -64.4 | 144.7 | 175.5 | -60.9 | 172.9 | 0 | 0 | 0 | 110.6 | C342 G343 R347 | C342-L345 PolarHBondContact O-N 2.92Å; G343-L345 PolarHBondContact O-N 2.9Å; L345-R347 WeakPolarHBondContact CB-O 3.37Å | ||
| 346 | S | 85.5 | Confident | 92.2 | Very high | 56 Ų | 56 | 58.9 Ų | 58.9 | 39% | 0.392 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -71.5 | -42.9 | 169.5 | 54.5 | 0 | 0 | 0 | 0 | 111 | ||
| 347 | R | 91.6 | Very high | 92.3 | Very high | 86 Ų | 86 | 55.3 Ų | 55.3 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 111.1 | 173.9 | -61.2 | -166.6 | 178.9 | 103.6 | 16.8 | 110.2 | E323 L345 | E323-R347 HydrophobicContact CB-CG 4.11Å; E323-R347 HydrophobicContact CG-CG 4.22Å; E323-R347 IonicContact OE1-NH2 3.95Å; E323-R347 IonicContact OE2-CZ 3.15Å; E323-R347 VanDerWaalsContact OE2-CZ 3.23Å; E323-R347 IonicContact OE2-NE 2.61Å; E323-R347 PolarHBondContact OE2-NE 3.48Å; E323-R347 IonicContact OE2-NH2 2.69Å; E323-R347 PolarHBondContact OE2-NH2 3.09Å; L345-R347 WeakPolarHBondContact CB-O 3.37Å |
| 348 | C | 95.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.007 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 122.7 | -179.8 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | S321 V322 V339 C342 L350 F353 | S321-C348 CarbonylContact C-O 3.54Å; S321-C348 VanDerWaalsContact CA-O 3.27Å; S321-C348 WeakPolarHBondContact CA-O 3.24Å; S321-C348 WeakPolarHBondContact CB-O 3.29Å; V322-C348 PolarHBondContact N-O 3.21Å; V322-C348 PolarHBondContact O-N 3.31Å; V339-C348 HydrophobicContact CG2-CB 4.47Å; C342-C348 HydrophobicContact CB-CB 3.9Å; C342-C348 WeakPolarHBondContact CB-SG 3.34Å; C342-C348 WeakPolarHBondContact SG-CA 3.42Å; C342-C348 WeakPolarHBondContact SG-CB 3.37Å; C342-C348 CovalentContact SG-SG 2.02Å; C342-C348 PolarHBondContact SG-SG 2.95Å; C348-L350 PolarHBondContact O-N 3.07Å; C348-F353 HydrophobicContact CB-CB 4.36Å |
| 349 | P | 96.1 | Very high | 92.7 | Very high | 47 Ų | 47 | 58.6 Ų | 58.6 | 31% | 0.305 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.9 | 134.3 | 174.4 | -27.3 | 35.4 | 0 | 0 | 0 | 110.7 | T351 S352 F353 | P349-T351 PolarHBondContact O-N 2.74Å; P349-S352 PolarHBondContact O-N 3.32Å; P349-S352 VanDerWaalsContact O-N 3.09Å; P349-F353 PolarHBondContact O-N 2.73Å |
| 350 | L | 95.8 | Very high | 92.9 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 13% | 0.126 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.9 | -36.7 | -172.3 | 179.7 | 68 | 0 | 0 | 0 | 111.9 | L258 F261 M265 F312 Y320 V322 C348 F353 T354 | L258-L350 HydrophobicContact CD2-CD1 4.24Å; F261-L350 HydrophobicContact CD2-CD1 4.25Å; M265-L350 HydrophobicContact SD-CD2 3.81Å; F312-L350 HydrophobicContact CE2-CB 4.49Å; F312-L350 HydrophobicContact CE2-CD1 3.99Å; F312-L350 HydrophobicContact CE2-CD2 3.8Å; F312-L350 HydrophobicContact CE2-CG 4.29Å; F312-L350 HydrophobicContact CZ-CD2 4.04Å; Y320-L350 WeakPolarHBondContact O-CB 3.31Å; Y320-L350 PolarHBondContact O-N 3.45Å; V322-L350 HydrophobicContact CG2-CD1 3.82Å; C348-L350 PolarHBondContact O-N 3.07Å; L350-F353 PolarHBondContact O-N 2.89Å; L350-T354 VanDerWaalsContact O-CB 3.29Å; L350-T354 WeakPolarHBondContact O-CB 3.33Å; L350-T354 PolarHBondContact O-N 2.94Å; L350-T354 PolarHBondContact O-OG1 3.33Å |
| 351 | T | 94.8 | Very high | 93 | Very high | 110 Ų | 110 | 56.3 Ų | 56.3 | 68% | 0.675 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.7 | -52.1 | 176.2 | 48.2 | 0 | 0 | 0 | 0 | 111.3 | P349 T354 E355 | P349-T351 PolarHBondContact O-N 2.74Å; T351-T354 PolarHBondContact O-N 2.94Å; T351-E355 PolarHBondContact O-N 2.97Å |
| 352 | S | 95.9 | Very high | 93.3 | Very high | 45 Ų | 45 | 53.4 Ų | 53.4 | 32% | 0.315 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 175.7 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | P349 T354 E355 L356 | P349-S352 PolarHBondContact O-N 3.32Å; P349-S352 VanDerWaalsContact O-N 3.09Å; S352-T354 PolarHBondContact O-N 2.93Å; S352-E355 PolarHBondContact O-N 3.05Å; S352-L356 WeakPolarHBondContact O-CB 3.48Å; S352-L356 WeakPolarHBondContact O-CD1 3.39Å; S352-L356 WeakPolarHBondContact O-CG 3.12Å; S352-L356 PolarHBondContact O-N 3.41Å |
| 353 | F | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.6 | -47.7 | 178.1 | -177 | -107.9 | 0 | 0 | 0 | 111.5 | L254 L258 L294 V322 L324 V339 C348 P349 L350 E355 L356 V357 | L254-F353 HydrophobicContact CD1-CE1 4.41Å; L254-F353 HydrophobicContact CD1-CZ 4.09Å; L258-F353 HydrophobicContact CD2-CD1 3.67Å; L258-F353 HydrophobicContact CD2-CE1 3.56Å; L258-F353 HydrophobicContact CG-CE1 4.26Å; L294-F353 HydrophobicContact CD2-CE2 3.84Å; L294-F353 HydrophobicContact CD2-CZ 3.73Å; V322-F353 HydrophobicContact CB-CD1 4.47Å; V322-F353 HydrophobicContact CG2-CD1 4.08Å; V322-F353 HydrophobicContact CG2-CE1 4.49Å; V322-F353 HydrophobicContact CG2-CG 4.46Å; L324-F353 HydrophobicContact CD1-CE2 4.36Å; V339-F353 HydrophobicContact CB-CD2 4.47Å; V339-F353 HydrophobicContact CG1-CD2 4.12Å; V339-F353 HydrophobicContact CG1-CE2 4.29Å; V339-F353 HydrophobicContact CG2-CD2 3.8Å; V339-F353 HydrophobicContact CG2-CE2 3.7Å; C348-F353 HydrophobicContact CB-CB 4.36Å; P349-F353 PolarHBondContact O-N 2.73Å; L350-F353 PolarHBondContact O-N 2.89Å; F353-E355 VanDerWaalsContact C-N 3.32Å; F353-E355 PolarHBondContact O-N 3.47Å; F353-L356 PolarHBondContact O-N 2.88Å; F353-V357 HydrophobicContact CD2-CG1 4.47Å; F353-V357 HydrophobicContact CE1-CG2 4.48Å; F353-V357 HydrophobicContact CE2-CG1 4.1Å; F353-V357 HydrophobicContact CZ-CG1 4.19Å; F353-V357 WeakPolarHBondContact O-CG2 3.22Å; F353-V357 PolarHBondContact O-N 2.63Å; F353-V357 VanDerWaalsContact O-N 3.13Å |
| 354 | T | 95.9 | Very high | 93.8 | Very high | 49 Ų | 49 | 60.3 Ų | 60.3 | 30% | 0.301 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 179.7 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | L258 L350 T351 S352 R358 | L258-T354 HydrophobicContact CD1-CG2 4.42Å; L350-T354 VanDerWaalsContact O-CB 3.29Å; L350-T354 WeakPolarHBondContact O-CB 3.33Å; L350-T354 PolarHBondContact O-N 2.94Å; L350-T354 PolarHBondContact O-OG1 3.33Å; T351-T354 PolarHBondContact O-N 2.94Å; S352-T354 PolarHBondContact O-N 2.93Å; T354-R358 PolarHBondContact O-N 2.97Å |
| 355 | E | 96.1 | Very high | 94.3 | Very high | 129 Ų | 129 | 59.4 Ų | 59.4 | 60% | 0.603 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.4 | -46 | 175.3 | -175.3 | 169.2 | -162.5 | 0 | 0 | 111.9 | T351 S352 F353 V357 R358 | T351-E355 PolarHBondContact O-N 2.97Å; S352-E355 PolarHBondContact O-N 3.05Å; F353-E355 VanDerWaalsContact C-N 3.32Å; F353-E355 PolarHBondContact O-N 3.47Å; E355-V357 VanDerWaalsContact C-N 3.27Å; E355-V357 PolarHBondContact O-N 2.87Å; E355-R358 WeakPolarHBondContact O-CB 3.23Å; E355-R358 PolarHBondContact O-N 2.91Å |
| 356 | L | 95.7 | Very high | 94.7 | Very high | 76 Ų | 76 | 58.7 Ų | 58.7 | 40% | 0.398 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.7 | -33 | -178.9 | -72.1 | 166.2 | 0 | 0 | 0 | 113.1 | V339 C342 S352 F353 | V339-L356 HydrophobicContact CG1-CD1 4.04Å; C342-L356 HydrophobicContact CB-CD1 3.95Å; S352-L356 WeakPolarHBondContact O-CB 3.48Å; S352-L356 WeakPolarHBondContact O-CD1 3.39Å; S352-L356 WeakPolarHBondContact O-CG 3.12Å; S352-L356 PolarHBondContact O-N 3.41Å; F353-L356 PolarHBondContact O-N 2.88Å |
| 357 | V | 96.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -99.5 | 0.2 | -177.9 | -52.6 | 0 | 0 | 0 | 0 | 113.9 | L254 L258 L294 F353 E355 D359 V360 M361 | L254-V357 HydrophobicContact CD2-CB 3.74Å; L254-V357 HydrophobicContact CD2-CG1 3.91Å; L254-V357 HydrophobicContact CD2-CG2 4.18Å; L254-V357 HydrophobicContact CG-CG2 4.47Å; L258-V357 HydrophobicContact CD1-CG2 3.72Å; L294-V357 HydrophobicContact CD2-CG1 4.24Å; F353-V357 HydrophobicContact CD2-CG1 4.47Å; F353-V357 HydrophobicContact CE1-CG2 4.48Å; F353-V357 HydrophobicContact CE2-CG1 4.1Å; F353-V357 HydrophobicContact CZ-CG1 4.19Å; F353-V357 WeakPolarHBondContact O-CG2 3.22Å; F353-V357 PolarHBondContact O-N 2.63Å; F353-V357 VanDerWaalsContact O-N 3.13Å; E355-V357 VanDerWaalsContact C-N 3.27Å; E355-V357 PolarHBondContact O-N 2.87Å; V357-D359 VanDerWaalsContact C-N 3.33Å; V357-D359 PolarHBondContact O-N 2.96Å; V357-V360 HydrophobicContact CB-CG2 3.99Å; V357-V360 WeakPolarHBondContact O-CG2 2.96Å; V357-V360 PolarHBondContact O-N 2.58Å; V357-M361 HydrophobicContact CG2-CE 4.03Å; V357-M361 HydrophobicContact CG2-SD 4.23Å |
| 358 | R | 95.8 | Very high | 95.3 | Very high | 146 Ų | 146 | 57.5 Ų | 57.5 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -54.4 | -47.5 | -177.3 | -174.2 | -178.3 | -66.1 | 167.2 | 2.4 | 112.6 | T354 E355 V360 M361 | T354-R358 PolarHBondContact O-N 2.97Å; E355-R358 WeakPolarHBondContact O-CB 3.23Å; E355-R358 PolarHBondContact O-N 2.91Å; R358-V360 PolarHBondContact O-N 3.03Å; R358-M361 PolarHBondContact O-N 2.97Å |
| 359 | D | 95.9 | Very high | 95.2 | Very high | 93 Ų | 93 | 57.4 Ų | 57.4 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -73.8 | -11 | -173.5 | -69.3 | -12.4 | 0 | 0 | 0 | 113.9 | R247 V357 | R247-D359 VanDerWaalsContact CD-O 3.3Å; R247-D359 WeakPolarHBondContact CD-O 3.19Å; R247-D359 VanDerWaalsContact CG-O 3.31Å; R247-D359 WeakPolarHBondContact CG-O 2.82Å; R247-D359 PolarHBondContact NH1-O 3.46Å; V357-D359 VanDerWaalsContact C-N 3.33Å; V357-D359 PolarHBondContact O-N 2.96Å |
| 360 | V | 96.8 | Very high | 95 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.03 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -103.2 | -0.6 | 179.7 | -62.4 | 0 | 0 | 0 | 0 | 113.3 | R243 A246 R247 G251 L254 A293 V357 R358 | R243-V360 HydrophobicContact CB-CG1 4.29Å; R243-V360 HydrophobicContact CG-CG1 4.06Å; A246-V360 CarbonylContact C-O 3.59Å; A246-V360 HydrophobicContact CB-CB 3.84Å; A246-V360 HydrophobicContact CB-CG1 3.99Å; R247-V360 WeakPolarHBondContact CA-O 3.39Å; R247-V360 PolarHBondContact N-O 2.92Å; G251-V360 WeakPolarHBondContact CA-O 3.37Å; L254-V360 HydrophobicContact CD2-CG2 4.1Å; A293-V360 HydrophobicContact CB-CB 4.5Å; A293-V360 HydrophobicContact CB-CG2 4.35Å; V357-V360 HydrophobicContact CB-CG2 3.99Å; V357-V360 WeakPolarHBondContact O-CG2 2.96Å; V357-V360 PolarHBondContact O-N 2.58Å; R358-V360 PolarHBondContact O-N 3.03Å |
| 361 | M | 96 | Very high | 94.7 | Very high | 22 Ų | 22 | 59.3 Ų | 59.3 | 11% | 0.108 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -101.6 | 136 | 177.1 | -66.5 | -173.8 | -63.1 | 0 | 0 | 111.1 | R247 N255 L258 V357 R358 | R247-M361 PolarHBondContact NH1-O 2.73Å; R247-M361 PolarHBondContact NH2-O 3.37Å; N255-M361 VanDerWaalsContact CA-SD 3.52Å; N255-M361 HydrophobicContact CB-CB 4.14Å; N255-M361 HydrophobicContact CB-CG 4.02Å; N255-M361 HydrophobicContact CB-SD 3.76Å; L258-M361 HydrophobicContact CD1-CE 3.73Å; L258-M361 HydrophobicContact CD1-SD 3.6Å; V357-M361 HydrophobicContact CG2-CE 4.03Å; V357-M361 HydrophobicContact CG2-SD 4.23Å; R358-M361 PolarHBondContact O-N 2.97Å |
| 362 | P | 94.9 | Very high | 93.8 | Very high | 8 Ų | 8 | 63.3 Ų | 63.3 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | trans | -75.1 | 146.6 | 177.9 | 31.5 | -33.3 | 0 | 0 | 0 | 111.4 | R247 V252 N255 W365 E368 | R247-P362 WeakPolarHBondContact O-CB 3.3Å; R247-P362 VanDerWaalsContact O-CD 3.3Å; R247-P362 WeakPolarHBondContact O-CD 3.3Å; R247-P362 WeakPolarHBondContact O-CG 3.44Å; V252-P362 HydrophobicContact CG2-CG 3.91Å; N255-P362 PolarHBondContact ND2-O 3.27Å; P362-W365 HydrophobicContact CB-CB 4.2Å; P362-W365 HydrophobicContact CG-CB 4.36Å; P362-E368 VanDerWaalsContact CA-OE1 3.28Å; P362-E368 WeakPolarHBondContact CA-OE1 3.41Å | ||
| 363 | D | 92.8 | Very high | 92.1 | Very high | 143 Ų | 143 | 66.1 Ų | 66.1 | 77% | 0.765 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -88.4 | -50.9 | 171.4 | -61.9 | -63.6 | 0 | 0 | 0 | 109.7 | R247 E368 | R247-D363 IonicContact CZ-OD2 3.35Å; R247-D363 IonicContact NH2-OD2 3.37Å; R247-D363 PolarHBondContact NH2-OD2 3.21Å; D363-E368 PolarHBondContact N-OE1 3.15Å |
| 364 | D | 93.7 | Very high | 89.8 | Confident | 86 Ų | 86 | 77.7 Ų | 77.7 | 46% | 0.46 | 39% | 0.392 | S | S | . | . | trans | -133.8 | 97.9 | 171.5 | -179.1 | -15.2 | 0 | 0 | 0 | 108.9 | E366 A367 E368 | D364-E366 VanDerWaalsContact C-N 3.27Å; D364-E366 PolarHBondContact O-N 2.86Å; D364-E366 PolarHBondContact OD1-N 3.4Å; D364-A367 HydrophobicContact CB-CB 3.96Å; D364-A367 VanDerWaalsContact CG-CB 3.49Å; D364-A367 PolarHBondContact O-N 3.19Å; D364-A367 PolarHBondContact OD1-N 3.29Å; D364-A367 VanDerWaalsContact OD1-N 3.09Å; D364-A367 WeakPolarHBondContact OD2-CB 3.41Å; D364-E368 WeakPolarHBondContact O-CB 3.29Å; D364-E368 VanDerWaalsContact O-CG 3.26Å; D364-E368 WeakPolarHBondContact O-CG 3.49Å; D364-E368 PolarHBondContact O-N 3.07Å | ||
| 365 | W | 93.6 | Very high | 87.6 | Confident | 25 Ų | 25 | 86.6 Ų | 86.6 | 10% | 0.095 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.9 | -34.6 | -177.6 | -176.8 | 92.1 | 0 | 0 | 0 | 112.9 | K141 P146 C150 L248 V252 P362 C369 I371 | K141-W365 HydrophobicContact CD-CE3 3.9Å; K141-W365 HydrophobicContact CD-CH2 4.22Å; K141-W365 HydrophobicContact CD-CZ3 3.7Å; K141-W365 HydrophobicContact CG-CH2 4.19Å; K141-W365 HydrophobicContact CG-CZ3 4.19Å; P146-W365 HydrophobicContact CB-CZ2 4.44Å; C150-W365 HydrophobicContact CB-CH2 4.22Å; C150-W365 HydrophobicContact CB-CZ2 4.03Å; L248-W365 PolarHBondContact O-NE1 3.3Å; V252-W365 HydrophobicContact CG2-CG 4.2Å; P362-W365 HydrophobicContact CB-CB 4.2Å; P362-W365 HydrophobicContact CG-CB 4.36Å; W365-C369 HydrophobicContact CE3-CB 4.45Å; W365-C369 WeakPolarHBondContact CZ2-SG 3.48Å; W365-C369 HydrophobicContact CZ3-CB 4.4Å; W365-C369 WeakPolarHBondContact O-CB 3.43Å; W365-C369 PolarHBondContact O-N 3.2Å; W365-C369 PolarHBondContact O-SG 3.45Å; W365-I371 HydrophobicContact CE3-CD1 4.45Å; W365-I371 HydrophobicContact CH2-CD1 4.38Å; W365-I371 HydrophobicContact CZ3-CD1 3.67Å |
| 366 | E | 92.8 | Very high | 85.1 | Confident | 77 Ų | 77 | 85.4 Ų | 85.4 | 36% | 0.36 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.9 | -44.2 | -178.3 | -65 | -165.9 | 155.4 | 0 | 0 | 111.1 | K141 D364 C369 G370 I371 | K141-E366 IonicContact NZ-OE1 2.79Å; K141-E366 PolarHBondContact NZ-OE1 2.97Å; D364-E366 VanDerWaalsContact C-N 3.27Å; D364-E366 PolarHBondContact O-N 2.86Å; D364-E366 PolarHBondContact OD1-N 3.4Å; E366-C369 PolarHBondContact O-N 3.36Å; E366-G370 PolarHBondContact O-N 3.48Å; E366-I371 HydrophobicContact CB-CB 4.47Å; E366-I371 HydrophobicContact CB-CD1 4.47Å; E366-I371 HydrophobicContact CG-CD1 4.46Å; E366-I371 PolarHBondContact O-N 3.48Å |
| 367 | A | 94.5 | Very high | 82.6 | Confident | 63 Ų | 63 | 87.2 Ų | 87.2 | 52% | 0.521 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.1 | -47 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D364 C369 G370 | D364-A367 HydrophobicContact CB-CB 3.96Å; D364-A367 VanDerWaalsContact CG-CB 3.49Å; D364-A367 PolarHBondContact O-N 3.19Å; D364-A367 PolarHBondContact OD1-N 3.29Å; D364-A367 VanDerWaalsContact OD1-N 3.09Å; D364-A367 WeakPolarHBondContact OD2-CB 3.41Å; A367-C369 VanDerWaalsContact C-N 3.31Å; A367-C369 PolarHBondContact O-N 2.9Å; A367-G370 WeakPolarHBondContact O-CA 3.29Å; A367-G370 PolarHBondContact O-N 2.92Å |
| 368 | E | 95.1 | Very high | 80.1 | Confident | 54 Ų | 54 | 93.1 Ų | 93.1 | 25% | 0.252 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.3 | -32 | 178.8 | -70.2 | -175.8 | -126.3 | 0 | 0 | 112.7 | R152 R247 L248 P362 D363 D364 G370 | R152-E368 WeakPolarHBondContact CB-O 3.31Å; R247-E368 IonicContact CZ-OE1 3.62Å; R247-E368 IonicContact CZ-OE2 2.85Å; R247-E368 IonicContact NE-OE1 3.69Å; R247-E368 IonicContact NE-OE2 3.9Å; R247-E368 PolarHBondContact NE-OE2 2.88Å; R247-E368 IonicContact NH2-OE1 3.43Å; R247-E368 PolarHBondContact NH2-OE1 3.25Å; R247-E368 IonicContact NH2-OE2 3.23Å; R247-E368 PolarHBondContact NH2-OE2 2.94Å; L248-E368 HydrophobicContact CD2-CB 3.7Å; P362-E368 VanDerWaalsContact CA-OE1 3.28Å; P362-E368 WeakPolarHBondContact CA-OE1 3.41Å; D363-E368 PolarHBondContact N-OE1 3.15Å; D364-E368 WeakPolarHBondContact O-CB 3.29Å; D364-E368 VanDerWaalsContact O-CG 3.26Å; D364-E368 WeakPolarHBondContact O-CG 3.49Å; D364-E368 PolarHBondContact O-N 3.07Å; E368-G370 PolarHBondContact O-N 3.23Å |
| 369 | C | 94.1 | Very high | 77.5 | Confident | 0 Ų | 0 | 89.5 Ų | 89.5 | 0% | 0 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -71 | -14.6 | 171.4 | -86.4 | 0 | 0 | 0 | 0 | 113.7 | C150 P151 R152 W365 E366 A367 I371 | C150-C369 HydrophobicContact CB-CB 3.94Å; C150-C369 WeakPolarHBondContact CB-SG 3.24Å; C150-C369 VanDerWaalsContact SG-CA 3.51Å; C150-C369 WeakPolarHBondContact SG-CB 3.42Å; C150-C369 CovalentContact SG-SG 2.04Å; C150-C369 PolarHBondContact SG-SG 3.32Å; P151-C369 VanDerWaalsContact CD-O 3.26Å; P151-C369 WeakPolarHBondContact CD-O 3.26Å; R152-C369 PolarHBondContact N-O 3.22Å; W365-C369 HydrophobicContact CE3-CB 4.45Å; W365-C369 WeakPolarHBondContact CZ2-SG 3.48Å; W365-C369 HydrophobicContact CZ3-CB 4.4Å; W365-C369 WeakPolarHBondContact O-CB 3.43Å; W365-C369 PolarHBondContact O-N 3.2Å; W365-C369 PolarHBondContact O-SG 3.45Å; E366-C369 PolarHBondContact O-N 3.36Å; A367-C369 VanDerWaalsContact C-N 3.31Å; A367-C369 PolarHBondContact O-N 2.9Å; C369-I371 HydrophobicContact CB-CD1 4.21Å; C369-I371 HydrophobicContact CB-CG1 4Å |
| 370 | G | 92.6 | Very high | 75 | Confident | 48 Ų | 48 | 97.3 Ų | 97.3 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 28.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E366 A367 E368 K372 | E366-G370 PolarHBondContact O-N 3.48Å; A367-G370 WeakPolarHBondContact O-CA 3.29Å; A367-G370 PolarHBondContact O-N 2.92Å; E368-G370 PolarHBondContact O-N 3.23Å; G370-K372 PolarHBondContact O-N 3.15Å |
| 371 | I | 88.7 | Confident | 72.2 | Confident | 63 Ų | 63 | 104.1 Ų | 104.1 | 32% | 0.323 | 58% | 0.583 | S | S | . | * | trans | -77.8 | 109.8 | 175 | -57.4 | 176.2 | 0 | 0 | 0 | 107.7 | W365 E366 C369 T373 | W365-I371 HydrophobicContact CE3-CD1 4.45Å; W365-I371 HydrophobicContact CH2-CD1 4.38Å; W365-I371 HydrophobicContact CZ3-CD1 3.67Å; E366-I371 HydrophobicContact CB-CB 4.47Å; E366-I371 HydrophobicContact CB-CD1 4.47Å; E366-I371 HydrophobicContact CG-CD1 4.46Å; E366-I371 PolarHBondContact O-N 3.48Å; C369-I371 HydrophobicContact CB-CD1 4.21Å; C369-I371 HydrophobicContact CB-CG1 4Å; I371-T373 PolarHBondContact O-N 3.01Å | ||
| 372 | K | 75.9 | Confident | 71 | Confident | 193 Ų | 193 | 108.3 Ų | 108.3 | 84% | 0.839 | 61% | 0.607 | S | S | * | * | trans | -70.7 | 114.9 | 174 | -65.8 | -173.4 | 179.4 | -175.1 | 0 | 109 | G370 R374 | G370-K372 PolarHBondContact O-N 3.15Å; K372-R374 PolarHBondContact O-N 3.16Å | ||
| 373 | T | 59.8 | Low | 69.8 | Low | 105 Ų | 105 | 113.5 Ų | 113.5 | 64% | 0.644 | 64% | 0.636 | S | S | * | * | trans | -61.2 | 109 | 165.4 | 30.4 | 0 | 0 | 0 | 0 | 108.2 | I371 W375 | I371-T373 PolarHBondContact O-N 3.01Å; T373-W375 PolarHBondContact O-N 3.31Å | ||
| 374 | R | 50.1 | Low | 68.5 | Low | 243 Ų | 243 | 111.9 Ų | 111.9 | 92% | 0.917 | 63% | 0.629 | S | S | * | * | trans | -68 | 100.9 | 166.7 | -85.9 | -175.7 | 169.8 | -174.3 | -3.3 | 106.7 | K372 S376 | K372-R374 PolarHBondContact O-N 3.16Å; R374-S376 PolarHBondContact O-N 2.73Å | ||
| 375 | W | 48.1 | Very low | 67 | Low | 236 Ų | 236 | 113.4 Ų | 113.4 | 89% | 0.894 | 64% | 0.639 | S | S | * | * | trans | -59.6 | 107.6 | 161.4 | -82.2 | 11.7 | 0 | 0 | 0 | 107.6 | T373 S377 | T373-W375 PolarHBondContact O-N 3.31Å; W375-S377 VanDerWaalsContact C-N 3.27Å; W375-S377 PolarHBondContact O-N 3.36Å | ||
| 376 | S | 44.3 | Very low | 65.3 | Low | 103 Ų | 103 | 118.9 Ų | 118.9 | 72% | 0.72 | 67% | 0.673 | S | S | * | * | trans | -69.1 | 94.7 | 163.3 | 54.2 | 0 | 0 | 0 | 0 | 106.4 | R374 T378 | R374-S376 PolarHBondContact O-N 2.73Å; S376-T378 PolarHBondContact O-N 2.8Å | ||
| 377 | S | 42.8 | Very low | 63.5 | Low | 114 Ų | 114 | 121.7 Ų | 121.7 | 80% | 0.797 | 69% | 0.694 | S | S | * | * | trans | -62 | 92.1 | 162 | 50.8 | 0 | 0 | 0 | 0 | 107.5 | W375 G379 | W375-S377 VanDerWaalsContact C-N 3.27Å; W375-S377 PolarHBondContact O-N 3.36Å; S377-G379 PolarHBondContact O-N 2.99Å | ||
| 378 | T | 44.8 | Very low | 61.3 | Low | 129 Ų | 129 | 125.9 Ų | 125.9 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | trans | -67.7 | 84.6 | 158 | 38 | 0 | 0 | 0 | 0 | 106.5 | S376 R380 | S376-T378 PolarHBondContact O-N 2.8Å; T378-R380 PolarHBondContact O-N 3.07Å; T378-R380 VanDerWaalsContact O-N 3.12Å | ||
| 379 | G | 39.8 | Very low | 58.7 | Low | 69 Ų | 69 | 131.5 Ų | 131.5 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | -58.2 | 114 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108 | S377 G381 | S377-G379 PolarHBondContact O-N 2.99Å; G379-G381 PolarHBondContact O-N 3.07Å | ||
| 380 | R | 42.9 | Very low | 55.8 | Low | 257 Ų | 257 | 142.4 Ų | 142.4 | 97% | 0.97 | 80% | 0.803 | S | S | * | * | trans | -66.8 | 109.7 | 154.2 | -68.7 | -177.5 | -170.4 | -163.2 | 2.1 | 106 | T378 | T378-R380 PolarHBondContact O-N 3.07Å; T378-R380 VanDerWaalsContact O-N 3.12Å | ||
| 381 | G | 39.2 | Very low | 52.4 | Low | 149 Ų | 149 | 151 Ų | 151 | 100% | 1.536 | 83% | 0.831 | S | S | * | * | trans | -107.2 | 0 | 155.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | G379 | G379-G381 PolarHBondContact O-N 3.07Š|
Retrieved 381 of 381 residues in 377.2 ms
(Link to these results)