| 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 | 33.4 | Very low | 42 | Very low | 247 Ų | 247 | 117.2 Ų | 117.2 | 100% | 1.217 | 65% | 0.653 | S | S | * | * | 0 | 94 | 0 | -68.8 | -173.1 | -83.5 | 0 | 0 | 105.8 | |||||
| 2 | A | 33.5 | Very low | 44.6 | Very low | 100 Ų | 100 | 111.1 Ų | 111.1 | 83% | 0.826 | 62% | 0.618 | S | S | * | * | trans | -79.7 | 136.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | E4 | A2-E4 PolarHBondContact O-N 3.2Š| ||
| 3 | N | 31.7 | Very low | 46.9 | Very low | 157 Ų | 157 | 104.8 Ų | 104.8 | 84% | 0.84 | 59% | 0.594 | S | S | * | * | trans | -29.1 | 118.5 | 173.6 | -83.4 | -17.9 | 0 | 0 | 0 | 113 | A5 | N3-A5 PolarHBondContact O-N 2.81Š| ||
| 4 | E | 35.5 | Very low | 48.8 | Very low | 174 Ų | 174 | 103.2 Ų | 103.2 | 81% | 0.813 | 58% | 0.579 | S | S | * | * | trans | -62.9 | 89.1 | 153.6 | -70.7 | 178.9 | 166.7 | 0 | 0 | 106.8 | A2 Y6 | A2-E4 PolarHBondContact O-N 3.2Å; E4-Y6 PolarHBondContact O-N 2.82Å | ||
| 5 | A | 33.2 | Very low | 50.6 | Low | 85 Ų | 85 | 107.6 Ų | 107.6 | 70% | 0.702 | 58% | 0.583 | S | S | * | * | trans | -62.2 | 102.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | N3 P7 | N3-A5 PolarHBondContact O-N 2.81Å; A5-P7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | Y | 35.8 | Very low | 52.1 | Low | 205 Ų | 205 | 102.8 Ų | 102.8 | 80% | 0.804 | 56% | 0.556 | S | S | * | * | trans | -47.4 | 122.2 | 165.1 | -77.9 | -91.2 | 0 | 0 | 0 | 107.6 | E4 C8 | E4-Y6 PolarHBondContact O-N 2.82Å; Y6-C8 PolarHBondContact O-N 3.4Å | ||
| 7 | P | 38.1 | Very low | 53.5 | Low | 110 Ų | 110 | 108.1 Ų | 108.1 | 71% | 0.714 | 58% | 0.577 | S | S | * | * | trans | -58.8 | 118.9 | 177.3 | 21.8 | -29.8 | 0 | 0 | 0 | 107.7 | A5 P9 | A5-P7 VanDerWaalsContact O-N 3.15Å; P7-P9 VanDerWaalsContact O-CD 3.28Å; P7-P9 WeakPolarHBondContact O-CD 3.47Å | ||
| 8 | C | 43.1 | Very low | 55 | Low | 50 Ų | 50 | 105.9 Ų | 105.9 | 34% | 0.338 | 56% | 0.56 | S | S | . | * | trans | -51.2 | 113.1 | 174.5 | 171.3 | 0 | 0 | 0 | 0 | 108.4 | Y6 C10 W91 | Y6-C8 PolarHBondContact O-N 3.4Å; C8-C10 PolarHBondContact O-N 2.96Å; C8-C10 VanDerWaalsContact SG-C 3.57Å; C8-W91 HydrophobicContact CB-CZ2 4.49Å; C8-W91 VanDerWaalsContact SG-CE2 3.52Å; C8-W91 WeakPolarHBondContact SG-CZ2 3.25Å | ||
| 9 | P | 52.2 | Low | 56.2 | Low | 56 Ų | 56 | 104.9 Ų | 104.9 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.2 | -25.1 | -170.6 | 25 | -31.8 | 0 | 0 | 0 | 111.5 | P7 W91 V180 V181 | P7-P9 VanDerWaalsContact O-CD 3.28Å; P7-P9 WeakPolarHBondContact O-CD 3.47Å; P9-W91 HydrophobicContact CG-CE3 4.21Å; P9-W91 HydrophobicContact CG-CZ3 4.08Å; P9-V180 HydrophobicContact CB-CG2 4.44Å; P9-V181 HydrophobicContact CB-CG2 4.13Å; P9-V181 WeakPolarHBondContact O-CG2 3.31Å |
| 10 | C | 56.6 | Low | 57.7 | Low | 6 Ų | 6 | 100.9 Ų | 100.9 | 4% | 0.041 | 56% | 0.56 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -129.2 | 77.7 | 178.3 | -64.7 | 0 | 0 | 0 | 0 | 111.4 | C8 I51 W91 V181 | C8-C10 PolarHBondContact O-N 2.96Å; C8-C10 VanDerWaalsContact SG-C 3.57Å; C10-I51 HydrophobicContact CB-CD1 3.94Å; C10-W91 HydrophobicContact CB-CH2 4.04Å; C10-V181 WeakPolarHBondContact SG-CG2 3.34Å |
| 11 | D | 68.9 | Low | 59.3 | Low | 99 Ų | 99 | 102.6 Ų | 102.6 | 53% | 0.529 | 57% | 0.568 | S | S | . | * | trans | -65.8 | 133.4 | 171.2 | 178.7 | 11.9 | 0 | 0 | 0 | 111.1 | G13 R217 | D11-G13 PolarHBondContact O-N 2.91Å; D11-G13 VanDerWaalsContact O-N 3.07Å; D11-G13 PolarHBondContact OD1-N 2.79Å; D11-G13 VanDerWaalsContact OD1-N 3.17Å; D11-R217 PolarHBondContact O-NH1 3.38Å; D11-R217 PolarHBondContact O-NH2 2.77Å | ||
| 12 | I | 73.3 | Confident | 62.1 | Low | 44 Ų | 44 | 92 Ų | 92 | 23% | 0.226 | 52% | 0.522 | C | S | . | . | trans | -57 | -21.6 | 177.5 | -165.4 | 166.9 | 0 | 0 | 0 | 112.8 | F52 L56 P87 R217 | I12-F52 HydrophobicContact CB-CD1 4.41Å; I12-F52 HydrophobicContact CB-CE1 4.05Å; I12-F52 HydrophobicContact CB-CE2 4.3Å; I12-F52 HydrophobicContact CB-CZ 3.99Å; I12-F52 HydrophobicContact CD1-CB 4.5Å; I12-F52 HydrophobicContact CD1-CD1 4.06Å; I12-F52 HydrophobicContact CD1-CG 4.09Å; I12-F52 HydrophobicContact CG1-CD1 4.13Å; I12-F52 HydrophobicContact CG1-CD2 4.02Å; I12-F52 HydrophobicContact CG1-CE1 4.27Å; I12-F52 HydrophobicContact CG1-CE2 4.21Å; I12-F52 HydrophobicContact CG1-CG 4.02Å; I12-F52 HydrophobicContact CG1-CZ 4.31Å; I12-L56 HydrophobicContact CD1-CD1 4.22Å; I12-L56 HydrophobicContact CG1-CD1 4.45Å; I12-P87 HydrophobicContact CB-CG 3.96Å; I12-P87 HydrophobicContact CD1-CG 4.28Å; I12-P87 HydrophobicContact CG2-CG 4.2Å; I12-R217 WeakPolarHBondContact O-CB 3.37Å; I12-R217 VanDerWaalsContact O-CD 3.29Å; I12-R217 WeakPolarHBondContact O-CD 3.41Å; I12-R217 WeakPolarHBondContact O-CG 3.33Å | ||
| 13 | G | 74.9 | Confident | 65.1 | Low | 30 Ų | 30 | 94.1 Ų | 94.1 | 31% | 0.309 | 51% | 0.509 | S | S | . | . | trans | 65.6 | -141.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D11 | D11-G13 PolarHBondContact O-N 2.91Å; D11-G13 VanDerWaalsContact O-N 3.07Å; D11-G13 PolarHBondContact OD1-N 2.79Å; D11-G13 VanDerWaalsContact OD1-N 3.17Å | ||
| 14 | H | 73.6 | Confident | 68.2 | Low | 82 Ų | 82 | 91.1 Ų | 91.1 | 38% | 0.38 | 49% | 0.49 | S | S | . | . | trans | -91.3 | 112.9 | -180 | -65.3 | 162.9 | 0 | 0 | 0 | 111.2 | L16 N58 R217 R219 C222 | H14-L16 PolarHBondContact O-N 3.28Å; H14-N58 PolarHBondContact O-ND2 3.45Å; H14-R217 WeakPolarHBondContact CA-O 3.46Å; H14-R217 PolarHBondContact N-O 3.21Å; H14-R219 HydrophobicContact CB-CB 4.22Å; H14-R219 HydrophobicContact CB-CG 3.75Å; H14-C222 VanDerWaalsContact CE1-CB 3.49Å; H14-C222 WeakPolarHBondContact CE1-CB 3.32Å | ||
| 15 | R | 74.7 | Confident | 71.2 | Confident | 169 Ų | 169 | 84 Ų | 84 | 64% | 0.638 | 46% | 0.458 | S | S | * | . | trans | -67.3 | 123.7 | 166.8 | -171.6 | 174.5 | -179 | 169.6 | 2.2 | 109.6 | P57 N58 | R15-P57 HydrophobicContact CG-CG 4.28Å; R15-N58 WeakPolarHBondContact CA-OD1 3.31Å | ||
| 16 | L | 74.8 | Confident | 74.3 | Confident | 31 Ų | 31 | 85.4 Ų | 85.4 | 16% | 0.162 | 45% | 0.45 | C | S | . | . | trans | -73.5 | 138.6 | 176.1 | -67.6 | 179.5 | 0 | 0 | 0 | 111 | H14 Y18 P57 N58 Y61 R219 | H14-L16 PolarHBondContact O-N 3.28Å; L16-Y18 PolarHBondContact O-N 3.05Å; L16-P57 HydrophobicContact CB-CB 4.47Å; L16-P57 WeakPolarHBondContact O-CB 3.37Å; L16-N58 PolarHBondContact N-OD1 3.13Å; L16-Y61 HydrophobicContact CD1-CD1 3.91Å; L16-Y61 HydrophobicContact CD1-CD2 4.28Å; L16-Y61 HydrophobicContact CD1-CG 3.73Å; L16-R219 HydrophobicContact CD2-CG 3.42Å; L16-R219 VanDerWaalsContact CD2-CG 3.42Å | ||
| 17 | E | 76.8 | Confident | 77.3 | Confident | 193 Ų | 193 | 76 Ų | 76 | 90% | 0.902 | 41% | 0.413 | S | S | * | . | trans | -80.8 | 87.4 | 163.1 | -67.1 | -175.4 | -177.9 | 0 | 0 | 108.2 | ||||
| 18 | Y | 79.5 | Confident | 80.1 | Confident | 69 Ų | 69 | 75.9 Ų | 75.9 | 27% | 0.271 | 40% | 0.404 | S | S | . | . | trans | -136.7 | 122.4 | -174.9 | -175.1 | -113.5 | 0 | 0 | 0 | 111.5 | L16 L21 Y61 D64 | L16-Y18 PolarHBondContact O-N 3.05Å; Y18-L21 WeakPolarHBondContact OH-CG 3.49Å; Y18-Y61 HydrophobicContact CD1-CD2 4.48Å; Y18-Y61 HydrophobicContact CD2-CD2 4.14Å; Y18-Y61 VanDerWaalsContact CE1-CA 3.46Å; Y18-Y61 HydrophobicContact CE1-CD2 4.39Å; Y18-Y61 HydrophobicContact CE2-CD2 4.07Å; Y18-Y61 HydrophobicContact CG-CD2 4.33Å; Y18-D64 HydrophobicContact CE1-CB 4.23Å; Y18-D64 WeakPolarHBondContact CE1-OD2 3.18Å; Y18-D64 WeakPolarHBondContact OH-CB 3.44Å; Y18-D64 PolarHBondContact OH-OD2 2.8Å | ||
| 19 | G | 78.8 | Confident | 82.6 | Confident | 87 Ų | 87 | 76 Ų | 76 | 90% | 0.897 | 40% | 0.399 | S | S | * | . | trans | -80.9 | -13.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 20 | G | 85 | Confident | 84.8 | Confident | 23 Ų | 23 | 73.3 Ų | 73.3 | 24% | 0.237 | 38% | 0.382 | C | S | . | . | trans | 77.3 | 149.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y33 D64 | G20-Y33 VanDerWaalsContact C-OH 3.28Å; G20-Y33 WeakPolarHBondContact CA-OH 3.41Å; G20-D64 WeakPolarHBondContact CA-OD2 3.33Å | ||
| 21 | L | 90.9 | Very high | 86.8 | Confident | 137 Ų | 137 | 78 Ų | 78 | 72% | 0.717 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -106 | -13.1 | 173.3 | -60 | 177.5 | 0 | 0 | 0 | 113.6 | Y18 Y33 T35 D64 | Y18-L21 WeakPolarHBondContact OH-CG 3.49Å; L21-Y33 PolarHBondContact N-OH 2.92Å; L21-T35 HydrophobicContact CB-CG2 4.42Å; L21-D64 HydrophobicContact CD1-CB 4.36Å; L21-D64 PolarHBondContact N-OD2 3Å |
| 22 | G | 92.8 | Very high | 88.2 | Confident | 25 Ų | 25 | 73.2 Ų | 73.2 | 26% | 0.258 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -90.8 | -169 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y33 V34 T35 | G22-Y33 VanDerWaalsContact C-CE2 3.41Å; G22-Y33 VanDerWaalsContact CA-CZ 3.49Å; G22-Y33 WeakPolarHBondContact CA-OH 3.49Å; G22-Y33 PolarHBondContact N-OH 3.43Å; G22-V34 CarbonylContact C-O 3.54Å; G22-V34 WeakPolarHBondContact CA-O 3.48Å; G22-T35 VanDerWaalsContact CA-OG1 3.3Å; G22-T35 WeakPolarHBondContact CA-OG1 3.38Å |
| 23 | R | 96.7 | Very high | 89.4 | Confident | 145 Ų | 145 | 71.4 Ų | 71.4 | 55% | 0.547 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 148.9 | 179.6 | 64.9 | -176.7 | -175.8 | 176.6 | 4.6 | 111.2 | V25 V34 | R23-V25 HydrophobicContact CG-CG1 4.19Å; R23-V34 PolarHBondContact N-O 3.18Å; R23-V34 PolarHBondContact O-N 2.85Å |
| 24 | E | 97.8 | Very high | 90.5 | Very high | 94 Ų | 94 | 70.1 Ų | 70.1 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 139.7 | 171 | -59.2 | -170.5 | 178.8 | 0 | 0 | 110.7 | A32 Y33 W54 R60 | E24-A32 CarbonylContact C-O 3.54Å; E24-A32 VanDerWaalsContact CA-O 3.25Å; E24-A32 WeakPolarHBondContact CA-O 3.36Å; E24-Y33 HydrophobicContact CG-CD2 4.44Å; E24-W54 VanDerWaalsContact CD-CH2 3.45Å; E24-W54 HydrophobicContact CG-CH2 3.99Å; E24-W54 HydrophobicContact CG-CZ3 3.92Å; E24-W54 WeakPolarHBondContact OE2-CH2 3.25Å; E24-R60 IonicContact OE1-CZ 2.66Å; E24-R60 IonicContact OE1-NH1 2.85Å; E24-R60 PolarHBondContact OE1-NH1 3.44Å; E24-R60 IonicContact OE1-NH2 3.6Å; E24-R60 PolarHBondContact OE1-NH2 3.4Å |
| 25 | V | 97.9 | Very high | 91.6 | Very high | 25 Ų | 25 | 66.7 Ų | 66.7 | 15% | 0.152 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 151.6 | 178.3 | -61.3 | 0 | 0 | 0 | 0 | 109.8 | R23 I27 K31 A32 V34 | R23-V25 HydrophobicContact CG-CG1 4.19Å; V25-I27 HydrophobicContact CG2-CD1 4.03Å; V25-I27 HydrophobicContact CG2-CG1 3.95Å; V25-K31 WeakPolarHBondContact O-CA 3.4Å; V25-A32 HydrophobicContact CG2-CB 4.11Å; V25-A32 PolarHBondContact N-O 3.23Å; V25-A32 PolarHBondContact O-N 2.97Å; V25-V34 HydrophobicContact CG2-CB 4.45Å; V25-V34 HydrophobicContact CG2-CG2 3.57Å |
| 26 | Q | 98.1 | Very high | 92.5 | Very high | 114 Ų | 114 | 65 Ų | 65 | 53% | 0.533 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 128 | 169 | -174.6 | 65.4 | 37.7 | 0 | 0 | 109.1 | E28 I30 | Q26-E28 PolarHBondContact NE2-O 3.43Å; Q26-I30 PolarHBondContact NE2-O 2.94Å |
| 27 | I | 97.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 100.9 | 176.8 | -57.1 | 175.6 | 0 | 0 | 0 | 107.7 | V25 H29 I30 A32 I74 A112 Y116 | V25-I27 HydrophobicContact CG2-CD1 4.03Å; V25-I27 HydrophobicContact CG2-CG1 3.95Å; I27-H29 PolarHBondContact O-N 3.01Å; I27-I30 CarbonylContact C-O 3.54Å; I27-I30 HydrophobicContact CB-CG1 4.21Å; I27-I30 PolarHBondContact N-O 3.41Å; I27-I30 WeakPolarHBondContact O-CG1 3.27Å; I27-I30 PolarHBondContact O-N 2.75Å; I27-I30 VanDerWaalsContact O-O 3.07Å; I27-A32 HydrophobicContact CD1-CB 3.74Å; I27-A32 HydrophobicContact CG1-CB 4.5Å; I27-I74 HydrophobicContact CD1-CD1 3.33Å; I27-A112 HydrophobicContact CG2-CB 4.27Å; I27-Y116 HydrophobicContact CD1-CD1 3.66Å; I27-Y116 HydrophobicContact CD1-CD2 3.94Å; I27-Y116 HydrophobicContact CD1-CE1 4.05Å; I27-Y116 HydrophobicContact CD1-CE2 4.31Å; I27-Y116 HydrophobicContact CD1-CG 3.61Å; I27-Y116 HydrophobicContact CG1-CD1 4.38Å; I27-Y116 HydrophobicContact CG1-CD2 3.74Å; I27-Y116 HydrophobicContact CG1-CE2 4.06Å; I27-Y116 HydrophobicContact CG1-CG 3.92Å; I27-Y116 HydrophobicContact CG2-CD2 4.33Å; I27-Y116 HydrophobicContact CG2-CG 4.24Å |
| 28 | E | 96.9 | Very high | 93.4 | Very high | 109 Ų | 109 | 60 Ų | 60 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | -113.4 | -176 | -57 | -172.8 | 177.2 | 0 | 0 | 110.6 | Q26 A112 K115 | Q26-E28 PolarHBondContact NE2-O 3.43Å; E28-A112 HydrophobicContact CG-CB 4.48Å; E28-K115 IonicContact OE1-NZ 2.77Å; E28-K115 PolarHBondContact OE1-NZ 3.47Å |
| 29 | H | 97.1 | Very high | 93.5 | Very high | 51 Ų | 51 | 61.1 Ų | 61.1 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 0.6 | -179.3 | 64 | -74.3 | 0 | 0 | 0 | 115.3 | I27 R108 E109 | I27-H29 PolarHBondContact O-N 3.01Å; H29-R108 PolarHBondContact CE1-NE 3.3Å; H29-E109 IonicContact CD2-OE1 3.66Å; H29-E109 IonicContact CE1-OE1 3.75Å; H29-E109 IonicContact NE2-OE1 2.75Å; H29-E109 PolarHBondContact NE2-OE1 3.31Å |
| 30 | I | 97.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 152.8 | 179.7 | 62.1 | 176.1 | 0 | 0 | 0 | 112.7 | Q26 I27 P76 V80 E109 V113 | Q26-I30 PolarHBondContact NE2-O 2.94Å; I27-I30 CarbonylContact C-O 3.54Å; I27-I30 HydrophobicContact CB-CG1 4.21Å; I27-I30 PolarHBondContact N-O 3.41Å; I27-I30 WeakPolarHBondContact O-CG1 3.27Å; I27-I30 PolarHBondContact O-N 2.75Å; I27-I30 VanDerWaalsContact O-O 3.07Å; I30-P76 HydrophobicContact CD1-CB 3.97Å; I30-V80 HydrophobicContact CG2-CB 4.43Å; I30-V80 HydrophobicContact CG2-CG1 4.17Å; I30-V80 HydrophobicContact CG2-CG2 3.95Å; I30-E109 HydrophobicContact CD1-CB 4.13Å; I30-E109 HydrophobicContact CD1-CG 4.4Å; I30-E109 HydrophobicContact CG2-CG 3.8Å; I30-V113 HydrophobicContact CD1-CG2 3.8Å |
| 31 | K | 98.5 | Very high | 93.4 | Very high | 103 Ų | 103 | 64.7 Ų | 64.7 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 157.3 | 165.2 | -67.5 | -179.5 | -179 | 179.1 | 0 | 109.7 | V25 W54 D77 | V25-K31 WeakPolarHBondContact O-CA 3.4Å; K31-W54 HydrophobicContact CB-CH2 3.79Å; K31-W54 HydrophobicContact CB-CZ2 3.7Å; K31-W54 HydrophobicContact CD-CH2 4.37Å; K31-W54 HydrophobicContact CD-CZ2 4.07Å; K31-D77 HydrophobicContact CB-CB 4.37Å; K31-D77 VanDerWaalsContact O-CB 3.3Å; K31-D77 WeakPolarHBondContact O-CB 3.33Å; K31-D77 PolarHBondContact O-N 3.33Å |
| 32 | A | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 153.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E24 V25 I27 I74 V75 P76 | E24-A32 CarbonylContact C-O 3.54Å; E24-A32 VanDerWaalsContact CA-O 3.25Å; E24-A32 WeakPolarHBondContact CA-O 3.36Å; V25-A32 HydrophobicContact CG2-CB 4.11Å; V25-A32 PolarHBondContact N-O 3.23Å; V25-A32 PolarHBondContact O-N 2.97Å; I27-A32 HydrophobicContact CD1-CB 3.74Å; I27-A32 HydrophobicContact CG1-CB 4.5Å; A32-I74 HydrophobicContact CB-CD1 3.82Å; A32-I74 HydrophobicContact CB-CG1 3.78Å; A32-V75 CarbonylContact C-O 3.56Å; A32-V75 VanDerWaalsContact CA-O 3.26Å; A32-V75 WeakPolarHBondContact CA-O 3.3Å; A32-P76 HydrophobicContact CB-CB 4.47Å |
| 33 | Y | 98.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 60 Ų | 60 | 2% | 0.02 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 124.4 | 167.4 | 174.4 | -97.6 | 0 | 0 | 0 | 109.3 | G20 L21 G22 E24 T35 R60 D64 I74 V75 | G20-Y33 VanDerWaalsContact C-OH 3.28Å; G20-Y33 WeakPolarHBondContact CA-OH 3.41Å; L21-Y33 PolarHBondContact N-OH 2.92Å; G22-Y33 VanDerWaalsContact C-CE2 3.41Å; G22-Y33 VanDerWaalsContact CA-CZ 3.49Å; G22-Y33 WeakPolarHBondContact CA-OH 3.49Å; G22-Y33 PolarHBondContact N-OH 3.43Å; E24-Y33 HydrophobicContact CG-CD2 4.44Å; Y33-T35 VanDerWaalsContact CE1-OG1 3.27Å; Y33-T35 WeakPolarHBondContact CE1-OG1 3.47Å; Y33-R60 HydrophobicContact CD1-CB 4.29Å; Y33-R60 HydrophobicContact CD1-CG 3.93Å; Y33-R60 HydrophobicContact CE1-CB 3.94Å; Y33-R60 HydrophobicContact CE1-CG 4.07Å; Y33-R60 HydrophobicContact CG-CG 4.18Å; Y33-D64 WeakPolarHBondContact CE1-OD1 3.41Å; Y33-D64 PolarHBondContact OH-OD1 3.43Å; Y33-D64 PolarHBondContact OH-OD2 3.21Å; Y33-I74 CarbonylContact O-C 3.3Å; Y33-I74 WeakPolarHBondContact O-CA 3.48Å; Y33-V75 HydrophobicContact CD1-CG2 4.02Å; Y33-V75 PolarHBondContact N-O 3.26Å; Y33-V75 PolarHBondContact O-N 2.93Å |
| 34 | V | 98.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 129.3 | -175.6 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | G22 R23 V25 T72 T73 I74 Y116 | G22-V34 CarbonylContact C-O 3.54Å; G22-V34 WeakPolarHBondContact CA-O 3.48Å; R23-V34 PolarHBondContact N-O 3.18Å; R23-V34 PolarHBondContact O-N 2.85Å; V25-V34 HydrophobicContact CG2-CB 4.45Å; V25-V34 HydrophobicContact CG2-CG2 3.57Å; V34-T72 HydrophobicContact CG1-CG2 4.47Å; V34-T73 WeakPolarHBondContact CA-O 3.32Å; V34-I74 HydrophobicContact CG2-CB 4.14Å; V34-I74 HydrophobicContact CG2-CD1 3.82Å; V34-I74 HydrophobicContact CG2-CG1 3.75Å; V34-Y116 HydrophobicContact CG2-CE1 4.1Å |
| 35 | T | 97.1 | Very high | 93.8 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 119 | 173.6 | -50.8 | 0 | 0 | 0 | 0 | 108.5 | L21 G22 Y33 D64 S67 T72 T73 | L21-T35 HydrophobicContact CB-CG2 4.42Å; G22-T35 VanDerWaalsContact CA-OG1 3.3Å; G22-T35 WeakPolarHBondContact CA-OG1 3.38Å; Y33-T35 VanDerWaalsContact CE1-OG1 3.27Å; Y33-T35 WeakPolarHBondContact CE1-OG1 3.47Å; T35-D64 VanDerWaalsContact CB-OD1 3.28Å; T35-D64 WeakPolarHBondContact CB-OD1 3.37Å; T35-D64 VanDerWaalsContact CG2-OD1 3.3Å; T35-D64 WeakPolarHBondContact CG2-OD1 3.27Å; T35-D64 PolarHBondContact OG1-OD1 2.88Å; T35-S67 PolarHBondContact O-OG 2.85Å; T35-T72 CarbonylContact O-C 3.48Å; T35-T72 WeakPolarHBondContact O-CA 3.18Å; T35-T73 WeakPolarHBondContact CB-OG1 3.25Å; T35-T73 PolarHBondContact N-O 3.11Å; T35-T73 PolarHBondContact O-N 3.4Å |
| 36 | K | 93.8 | Very high | 93.9 | Very high | 134 Ų | 134 | 47.4 Ų | 47.4 | 58% | 0.583 | 25% | 0.25 | S | C | * | . | trans | -77.7 | 135.4 | 179 | -72.5 | -167.1 | 173.3 | -166 | 0 | 109.3 | S67 | K36-S67 PolarHBondContact O-OG 2.66Š| ||
| 37 | S | 89.6 | Confident | 93.9 | Very high | 16 Ų | 16 | 42 Ų | 42 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | trans | -55.8 | 140.3 | 168.8 | -178.2 | 0 | 0 | 0 | 0 | 110 | V39 S67 G70 T72 | S37-V39 WeakPolarHBondContact CB-O 3.3Å; S37-V39 PolarHBondContact O-N 2.73Å; S37-V39 PolarHBondContact OG-N 2.99Å; S37-V39 VanDerWaalsContact OG-N 3.08Å; S37-V39 PolarHBondContact OG-O 3.03Å; S37-S67 PolarHBondContact N-OG 3.22Å; S37-G70 VanDerWaalsContact OG-CA 3.29Å; S37-G70 WeakPolarHBondContact OG-CA 3.29Å; S37-G70 PolarHBondContact OG-O 3.33Å; S37-T72 PolarHBondContact N-OG1 3.27Å | ||
| 38 | P | 79.8 | Confident | 94 | Very high | 104 Ų | 104 | 41.7 Ų | 41.7 | 68% | 0.675 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -64.9 | -18.7 | 168.8 | 27.5 | -33.5 | 0 | 0 | 0 | 112.3 | S67 | P38-S67 WeakPolarHBondContact CD-O 3.36Š|
| 39 | V | 82.8 | Confident | 94 | Very high | 92 Ų | 92 | 36.5 Ų | 36.5 | 56% | 0.558 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -120 | 119.6 | 177.3 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | S37 A41 | S37-V39 WeakPolarHBondContact CB-O 3.3Å; S37-V39 PolarHBondContact O-N 2.73Å; S37-V39 PolarHBondContact OG-N 2.99Å; S37-V39 VanDerWaalsContact OG-N 3.08Å; S37-V39 PolarHBondContact OG-O 3.03Å; V39-A41 PolarHBondContact O-N 2.7Å |
| 40 | D | 75.8 | Confident | 94 | Very high | 133 Ų | 133 | 34.1 Ų | 34.1 | 71% | 0.711 | 19% | 0.187 | S | C | * | . | trans | -78.6 | 93.5 | 175.8 | -168.9 | 0.4 | 0 | 0 | 0 | 110.9 | G42 | D40-G42 PolarHBondContact OD1-N 2.82Š| ||
| 41 | A | 84.7 | Confident | 93.9 | Very high | 51 Ų | 51 | 34.3 Ų | 34.3 | 42% | 0.421 | 19% | 0.188 | S | C | . | . | trans | -107.7 | 9.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V39 K43 | V39-A41 PolarHBondContact O-N 2.7Å; A41-K43 HydrophobicContact CB-CG 4.26Å; A41-K43 PolarHBondContact O-N 2.97Å; A41-K43 VanDerWaalsContact O-N 3.14Å | ||
| 42 | G | 93.7 | Very high | 93.8 | Very high | 7 Ų | 7 | 30.2 Ų | 30.2 | 7% | 0.072 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 59.5 | 21.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | D40 A123 Q124 K125 | D40-G42 PolarHBondContact OD1-N 2.82Å; G42-A123 CarbonylContact O-C 3.46Å; G42-Q124 PolarHBondContact O-N 2.66Å; G42-K125 PolarHBondContact O-N 3.17Å |
| 43 | K | 97.4 | Very high | 93.7 | Very high | 57 Ų | 57 | 30.3 Ų | 30.3 | 25% | 0.248 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 129.8 | 176.9 | -59.6 | -176.4 | -173.5 | -174.6 | 0 | 109.9 | A41 Y71 T72 K125 M245 | A41-K43 HydrophobicContact CB-CG 4.26Å; A41-K43 PolarHBondContact O-N 2.97Å; A41-K43 VanDerWaalsContact O-N 3.14Å; K43-Y71 HydrophobicContact CB-CD1 3.76Å; K43-Y71 HydrophobicContact CB-CE1 4.07Å; K43-Y71 HydrophobicContact CD-CD1 4.38Å; K43-Y71 HydrophobicContact CD-CE1 3.88Å; K43-T72 PolarHBondContact O-N 2.91Å; K43-K125 WeakPolarHBondContact CA-O 3.48Å; K43-M245 HydrophobicContact CB-CE 4.32Å; K43-M245 HydrophobicContact CD-CB 4.3Å; K43-M245 VanDerWaalsContact CE-O 3.32Å; K43-M245 WeakPolarHBondContact CE-O 3.47Å; K43-M245 VanDerWaalsContact CE-OXT 3.31Å; K43-M245 WeakPolarHBondContact CE-OXT 3.45Å; K43-M245 PolarHBondContact NZ-OXT 2.9Å |
| 44 | A | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 150.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | T72 L117 A123 K125 I126 G127 M245 | A44-T72 CarbonylContact C-O 3.59Å; A44-T72 WeakPolarHBondContact CA-O 3.32Å; A44-T72 WeakPolarHBondContact CB-O 3.06Å; A44-L117 HydrophobicContact CB-CD1 4.08Å; A44-L117 HydrophobicContact CB-CD2 3.85Å; A44-L117 HydrophobicContact CB-CG 4.45Å; A44-A123 HydrophobicContact CB-CB 3.65Å; A44-K125 PolarHBondContact N-O 3.2Å; A44-I126 CarbonylContact O-C 3.56Å; A44-I126 VanDerWaalsContact O-CA 3.31Å; A44-I126 WeakPolarHBondContact O-CA 3.17Å; A44-G127 PolarHBondContact O-N 3.33Å; A44-M245 WeakPolarHBondContact O-CE 3.28Å |
| 45 | V | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 123.7 | 176.2 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | V47 I66 Y71 T72 T73 I74 G127 V129 L241 | V45-V47 HydrophobicContact CG1-CG2 4.06Å; V45-I66 HydrophobicContact CB-CG2 4.16Å; V45-I66 HydrophobicContact CG1-CG2 4.34Å; V45-I66 HydrophobicContact CG2-CG2 4.09Å; V45-Y71 HydrophobicContact CG2-CD1 3.68Å; V45-Y71 HydrophobicContact CG2-CE1 4.41Å; V45-Y71 HydrophobicContact CG2-CG 3.88Å; V45-T72 PolarHBondContact N-O 2.67Å; V45-T73 HydrophobicContact CB-CG2 4.3Å; V45-T73 WeakPolarHBondContact O-CA 3.39Å; V45-I74 PolarHBondContact O-N 2.79Å; V45-G127 WeakPolarHBondContact CA-O 3.26Å; V45-V129 HydrophobicContact CG1-CB 4.17Å; V45-V129 HydrophobicContact CG1-CG2 3.64Å; V45-L241 HydrophobicContact CG2-CD1 4.02Å; V45-L241 HydrophobicContact CG2-CD2 4.2Å |
| 46 | I | 98.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 122.6 | 168 | -54.9 | 175 | 0 | 0 | 0 | 107.4 | I48 I74 P76 F78 I110 V113 L114 L117 I126 G127 V128 V129 F148 | I46-I48 HydrophobicContact CG2-CG1 4.16Å; I46-I74 HydrophobicContact CB-CG2 4.25Å; I46-I74 HydrophobicContact CG1-CG2 3.89Å; I46-I74 HydrophobicContact CG2-CG2 4.43Å; I46-P76 HydrophobicContact CG2-CG 3.96Å; I46-F78 HydrophobicContact CG2-CE2 4.36Å; I46-F78 HydrophobicContact CG2-CZ 4.22Å; I46-I110 HydrophobicContact CD1-CD1 4.26Å; I46-V113 HydrophobicContact CD1-CB 4.49Å; I46-V113 HydrophobicContact CD1-CG1 3.58Å; I46-V113 HydrophobicContact CG1-CG1 3.81Å; I46-V113 HydrophobicContact CG2-CG1 4.43Å; I46-L114 HydrophobicContact CD1-CD2 4.42Å; I46-L117 HydrophobicContact CD1-CD1 4.16Å; I46-L117 HydrophobicContact CG1-CD1 3.72Å; I46-I126 HydrophobicContact CD1-CG2 4.14Å; I46-I126 HydrophobicContact CG1-CG2 4.14Å; I46-G127 PolarHBondContact N-O 3.45Å; I46-V128 HydrophobicContact CB-CG2 4.17Å; I46-V128 HydrophobicContact CG2-CG2 4.48Å; I46-V128 CarbonylContact O-C 3.53Å; I46-V128 WeakPolarHBondContact O-CA 3.34Å; I46-V129 PolarHBondContact O-N 2.84Å; I46-F148 HydrophobicContact CD1-CE1 3.86Å; I46-F148 HydrophobicContact CD1-CZ 4.3Å |
| 47 | V | 98.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 115.4 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | V45 T59 A63 I66 I74 V75 V129 F131 | V45-V47 HydrophobicContact CG1-CG2 4.06Å; V47-T59 HydrophobicContact CG1-CG2 4.17Å; V47-A63 HydrophobicContact CB-CB 4.3Å; V47-A63 HydrophobicContact CG1-CB 4.4Å; V47-A63 HydrophobicContact CG2-CB 4.06Å; V47-I66 HydrophobicContact CG2-CD1 4Å; V47-I74 PolarHBondContact N-O 2.83Å; V47-V75 HydrophobicContact CB-CG2 4.09Å; V47-V75 HydrophobicContact CG1-CG2 4.41Å; V47-V75 WeakPolarHBondContact O-CA 3.43Å; V47-V129 CarbonylContact C-O 3.54Å; V47-V129 VanDerWaalsContact CA-O 3.31Å; V47-V129 WeakPolarHBondContact CA-O 3.38Å; V47-F131 HydrophobicContact CG1-CD2 4.43Å; V47-F131 HydrophobicContact CG1-CE2 3.83Å |
| 48 | I | 98.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 124.2 | -174.6 | -48.2 | -172.6 | 0 | 0 | 0 | 109.7 | I46 F78 I106 V128 V129 G130 F131 W133 A137 V138 L141 | I46-I48 HydrophobicContact CG2-CG1 4.16Å; I48-F78 HydrophobicContact CB-CE2 4.19Å; I48-F78 HydrophobicContact CD1-CE2 4.18Å; I48-F78 HydrophobicContact CD1-CZ 4.36Å; I48-F78 HydrophobicContact CG1-CE2 3.76Å; I48-F78 HydrophobicContact CG1-CZ 4.34Å; I48-F78 HydrophobicContact CG2-CD2 3.71Å; I48-F78 HydrophobicContact CG2-CE2 3.83Å; I48-I106 HydrophobicContact CD1-CD1 4.37Å; I48-V128 HydrophobicContact CD1-CG2 3.64Å; I48-V128 HydrophobicContact CG1-CG2 3.96Å; I48-V129 PolarHBondContact N-O 3.27Å; I48-G130 WeakPolarHBondContact O-CA 3.3Å; I48-F131 PolarHBondContact O-N 3.32Å; I48-W133 HydrophobicContact CG2-CE3 4.03Å; I48-W133 HydrophobicContact CG2-CZ3 3.72Å; I48-A137 HydrophobicContact CD1-CB 3.79Å; I48-A137 HydrophobicContact CG2-CB 4.1Å; I48-V138 HydrophobicContact CD1-CG2 4.46Å; I48-L141 HydrophobicContact CD1-CD1 3.89Å |
| 49 | Q | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -57 | 160.5 | 178.2 | 67.7 | -167.1 | 51 | 0 | 0 | 113.8 | W54 T59 P76 F79 G134 | Q49-W54 VanDerWaalsContact OE1-CA 3.27Å; Q49-T59 HydrophobicContact CB-CG2 4.43Å; Q49-P76 PolarHBondContact OE1-O 3.49Å; Q49-F79 VanDerWaalsContact NE2-CG 3.31Å; Q49-G134 WeakPolarHBondContact O-CA 3.49Å; Q49-G134 PolarHBondContact O-N 3.05Å; Q49-G134 VanDerWaalsContact O-N 3.1Å | ||
| 50 | D | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -85.9 | -167.4 | 161 | 64.7 | 16.3 | 0 | 0 | 0 | 111.2 | F52 G53 F131 C132 H216 | D50-F52 VanDerWaalsContact CG-CD2 3.49Å; D50-F52 PolarHBondContact O-N 2.89Å; D50-F52 VanDerWaalsContact O-N 3.13Å; D50-F52 VanDerWaalsContact OD1-CD2 3.26Å; D50-F52 WeakPolarHBondContact OD1-CD2 3.47Å; D50-F52 PolarHBondContact OD1-N 2.76Å; D50-F52 WeakPolarHBondContact OD2-CD2 3.26Å; D50-G53 PolarHBondContact O-N 3.14Å; D50-F131 VanDerWaalsContact CA-O 3.31Å; D50-F131 WeakPolarHBondContact CA-O 3.41Å; D50-F131 HydrophobicContact CB-CB 4.49Å; D50-F131 WeakPolarHBondContact CB-O 3.26Å; D50-C132 HydrophobicContact CB-CB 3.71Å; D50-H216 IonicContact OD2-CD2 3.55Å; D50-H216 IonicContact OD2-CE1 3.66Å; D50-H216 PolarHBondContact OD2-CE1 3.06Å; D50-H216 IonicContact OD2-NE2 2.74Å; D50-H216 PolarHBondContact OD2-NE2 2.65Å | ||
| 51 | I | 96.6 | Very high | 96 | Very high | 5 Ų | 5 | 18.6 Ų | 18.6 | 3% | 0.026 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -16.1 | -178.4 | 65 | 174.6 | 0 | 0 | 0 | 114.2 | C10 G53 P84 W85 W91 F94 W97 W133 | C10-I51 HydrophobicContact CB-CD1 3.94Å; I51-G53 VanDerWaalsContact C-N 3.34Å; I51-P84 WeakPolarHBondContact O-CB 2.85Å; I51-W85 HydrophobicContact CB-CB 4.02Å; I51-W85 HydrophobicContact CD1-CB 4.1Å; I51-W85 HydrophobicContact CD1-CG 4.1Å; I51-W85 HydrophobicContact CG1-CB 4.14Å; I51-W85 PolarHBondContact O-N 3.28Å; I51-W91 HydrophobicContact CD1-CH2 4.37Å; I51-F94 HydrophobicContact CD1-CE2 3.94Å; I51-F94 HydrophobicContact CD1-CZ 4.19Å; I51-F94 HydrophobicContact CG2-CE2 4.43Å; I51-F94 HydrophobicContact CG2-CZ 4.29Å; I51-W97 HydrophobicContact CB-CH2 3.63Å; I51-W97 HydrophobicContact CB-CZ2 4.48Å; I51-W97 HydrophobicContact CB-CZ3 3.97Å; I51-W97 HydrophobicContact CG2-CH2 3.81Å; I51-W97 HydrophobicContact CG2-CZ3 3.73Å; I51-W133 HydrophobicContact CG2-CB 3.89Å; I51-W133 HydrophobicContact CG2-CG 4.46Å |
| 52 | F | 95.9 | Very high | 96.6 | Very high | 18 Ų | 18 | 16.1 Ų | 16.1 | 8% | 0.079 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 3.8 | -180 | -45.4 | -67.8 | 0 | 0 | 0 | 113.6 | I12 D50 L56 P84 W85 P87 | I12-F52 HydrophobicContact CB-CD1 4.41Å; I12-F52 HydrophobicContact CB-CE1 4.05Å; I12-F52 HydrophobicContact CB-CE2 4.3Å; I12-F52 HydrophobicContact CB-CZ 3.99Å; I12-F52 HydrophobicContact CD1-CB 4.5Å; I12-F52 HydrophobicContact CD1-CD1 4.06Å; I12-F52 HydrophobicContact CD1-CG 4.09Å; I12-F52 HydrophobicContact CG1-CD1 4.13Å; I12-F52 HydrophobicContact CG1-CD2 4.02Å; I12-F52 HydrophobicContact CG1-CE1 4.27Å; I12-F52 HydrophobicContact CG1-CE2 4.21Å; I12-F52 HydrophobicContact CG1-CG 4.02Å; I12-F52 HydrophobicContact CG1-CZ 4.31Å; D50-F52 VanDerWaalsContact CG-CD2 3.49Å; D50-F52 PolarHBondContact O-N 2.89Å; D50-F52 VanDerWaalsContact O-N 3.13Å; D50-F52 VanDerWaalsContact OD1-CD2 3.26Å; D50-F52 WeakPolarHBondContact OD1-CD2 3.47Å; D50-F52 PolarHBondContact OD1-N 2.76Å; D50-F52 WeakPolarHBondContact OD2-CD2 3.26Å; F52-L56 HydrophobicContact CB-CD1 4.16Å; F52-L56 HydrophobicContact CB-CD2 4.2Å; F52-L56 HydrophobicContact CD2-CD2 4.25Å; F52-P84 VanDerWaalsContact C-CB 3.43Å; F52-P84 WeakPolarHBondContact O-CB 3.34Å; F52-W85 WeakPolarHBondContact CD1-O 3.4Å; F52-P87 HydrophobicContact CD1-CG 4.2Å; F52-P87 HydrophobicContact CE1-CG 3.8Å |
| 53 | G | 96.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | trans | 92.6 | 162.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | D50 I51 Q55 L56 | D50-G53 PolarHBondContact O-N 3.14Å; I51-G53 VanDerWaalsContact C-N 3.34Å; G53-Q55 PolarHBondContact O-N 3.47Å; G53-L56 VanDerWaalsContact O-CB 3.26Å; G53-L56 WeakPolarHBondContact O-CB 3.22Å; G53-L56 PolarHBondContact O-N 2.86Å; G53-L56 VanDerWaalsContact O-N 3.1Å | ||
| 54 | W | 96.9 | Very high | 96.8 | Very high | 12 Ų | 12 | 13.4 Ų | 13.4 | 5% | 0.045 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.3 | -179.1 | 64.4 | -72.8 | 0 | 0 | 0 | 113.5 | E24 K31 Q49 L56 R60 V75 D77 | E24-W54 VanDerWaalsContact CD-CH2 3.45Å; E24-W54 HydrophobicContact CG-CH2 3.99Å; E24-W54 HydrophobicContact CG-CZ3 3.92Å; E24-W54 WeakPolarHBondContact OE2-CH2 3.25Å; K31-W54 HydrophobicContact CB-CH2 3.79Å; K31-W54 HydrophobicContact CB-CZ2 3.7Å; K31-W54 HydrophobicContact CD-CH2 4.37Å; K31-W54 HydrophobicContact CD-CZ2 4.07Å; Q49-W54 VanDerWaalsContact OE1-CA 3.27Å; W54-L56 VanDerWaalsContact C-N 3.3Å; W54-R60 VanDerWaalsContact CE3-NH2 3.31Å; W54-R60 PolarHBondContact O-NE 3.3Å; W54-R60 VanDerWaalsContact O-NE 3.17Å; W54-V75 HydrophobicContact CB-CG1 3.72Å; W54-D77 VanDerWaalsContact CD1-CB 3.44Å; W54-D77 VanDerWaalsContact CD1-CG 3.41Å; W54-D77 HydrophobicContact CD2-CB 4.14Å; W54-D77 HydrophobicContact CG-CB 3.96Å; W54-D77 VanDerWaalsContact NE1-CB 3.35Å; W54-D77 PolarHBondContact NE1-OD2 2.74Å |
| 55 | Q | 96.1 | Very high | 96.7 | Very high | 110 Ų | 110 | 15.4 Ų | 15.4 | 51% | 0.514 | 7% | 0.07 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -7.2 | 176.5 | -57.7 | -167.6 | -52.8 | 0 | 0 | 112.7 | G53 P57 | G53-Q55 PolarHBondContact O-N 3.47Å; Q55-P57 VanDerWaalsContact O-CD 3.29Å; Q55-P57 WeakPolarHBondContact O-CD 3.43Å |
| 56 | L | 94.6 | Very high | 96.6 | Very high | 9 Ų | 9 | 15.4 Ų | 15.4 | 5% | 0.047 | 7% | 0.07 | C | C | . | . | trans | -58.4 | 120.1 | 175 | -174.8 | 71.1 | 0 | 0 | 0 | 109.5 | I12 F52 G53 W54 N58 T59 R60 | I12-L56 HydrophobicContact CD1-CD1 4.22Å; I12-L56 HydrophobicContact CG1-CD1 4.45Å; F52-L56 HydrophobicContact CB-CD1 4.16Å; F52-L56 HydrophobicContact CB-CD2 4.2Å; F52-L56 HydrophobicContact CD2-CD2 4.25Å; G53-L56 VanDerWaalsContact O-CB 3.26Å; G53-L56 WeakPolarHBondContact O-CB 3.22Å; G53-L56 PolarHBondContact O-N 2.86Å; G53-L56 VanDerWaalsContact O-N 3.1Å; W54-L56 VanDerWaalsContact C-N 3.3Å; L56-N58 HydrophobicContact CD2-CB 3.86Å; L56-N58 HydrophobicContact CG-CB 3.95Å; L56-N58 PolarHBondContact O-N 3.06Å; L56-N58 VanDerWaalsContact O-N 3.12Å; L56-T59 PolarHBondContact O-N 3.25Å; L56-R60 PolarHBondContact O-N 3.07Å | ||
| 57 | P | 94.4 | Very high | 96.5 | Very high | 17 Ų | 17 | 15.5 Ų | 15.5 | 11% | 0.11 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -56.2 | -33.6 | -177.8 | -28.6 | 36.3 | 0 | 0 | 0 | 113.2 | R15 L16 Q55 T59 R60 Y61 | R15-P57 HydrophobicContact CG-CG 4.28Å; L16-P57 HydrophobicContact CB-CB 4.47Å; L16-P57 WeakPolarHBondContact O-CB 3.37Å; Q55-P57 VanDerWaalsContact O-CD 3.29Å; Q55-P57 WeakPolarHBondContact O-CD 3.43Å; P57-T59 PolarHBondContact O-N 2.81Å; P57-R60 PolarHBondContact O-N 2.88Å; P57-Y61 WeakPolarHBondContact O-CB 3.49Å; P57-Y61 PolarHBondContact O-N 2.9Å |
| 58 | N | 93.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60 | -43.9 | 176.4 | -60.9 | 57.6 | 0 | 0 | 0 | 112.9 | H14 R15 L16 L56 Y61 M62 H216 | H14-N58 PolarHBondContact O-ND2 3.45Å; R15-N58 WeakPolarHBondContact CA-OD1 3.31Å; L16-N58 PolarHBondContact N-OD1 3.13Å; L56-N58 HydrophobicContact CD2-CB 3.86Å; L56-N58 HydrophobicContact CG-CB 3.95Å; L56-N58 PolarHBondContact O-N 3.06Å; L56-N58 VanDerWaalsContact O-N 3.12Å; N58-Y61 WeakPolarHBondContact O-CB 3.4Å; N58-Y61 PolarHBondContact O-N 3.4Å; N58-M62 WeakPolarHBondContact O-CG 3.13Å; N58-M62 PolarHBondContact O-N 2.68Å; N58-M62 VanDerWaalsContact O-N 3.07Å; N58-H216 VanDerWaalsContact CB-O 3.32Å; N58-H216 WeakPolarHBondContact CB-O 3.21Å; N58-H216 PolarHBondContact ND2-O 2.74Å |
| 59 | T | 95.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.1 | -40.9 | 177.2 | -56.5 | 0 | 0 | 0 | 0 | 110.6 | V47 Q49 L56 P57 M62 A63 V75 | V47-T59 HydrophobicContact CG1-CG2 4.17Å; Q49-T59 HydrophobicContact CB-CG2 4.43Å; L56-T59 PolarHBondContact O-N 3.25Å; P57-T59 PolarHBondContact O-N 2.81Å; T59-M62 WeakPolarHBondContact O-CB 3.34Å; T59-M62 PolarHBondContact O-N 2.99Å; T59-A63 PolarHBondContact O-N 3.36Å; T59-V75 HydrophobicContact CG2-CG1 3.82Å |
| 60 | R | 96.6 | Very high | 96 | Very high | 35 Ų | 35 | 22.8 Ų | 22.8 | 13% | 0.132 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66 | -39 | 176 | -65 | -173.3 | -179.4 | -168.1 | -2.7 | 112.2 | E24 Y33 W54 L56 P57 M62 A63 D64 | E24-R60 IonicContact OE1-CZ 2.66Å; E24-R60 IonicContact OE1-NH1 2.85Å; E24-R60 PolarHBondContact OE1-NH1 3.44Å; E24-R60 IonicContact OE1-NH2 3.6Å; E24-R60 PolarHBondContact OE1-NH2 3.4Å; Y33-R60 HydrophobicContact CD1-CB 4.29Å; Y33-R60 HydrophobicContact CD1-CG 3.93Å; Y33-R60 HydrophobicContact CE1-CB 3.94Å; Y33-R60 HydrophobicContact CE1-CG 4.07Å; Y33-R60 HydrophobicContact CG-CG 4.18Å; W54-R60 VanDerWaalsContact CE3-NH2 3.31Å; W54-R60 PolarHBondContact O-NE 3.3Å; W54-R60 VanDerWaalsContact O-NE 3.17Å; L56-R60 PolarHBondContact O-N 3.07Å; P57-R60 PolarHBondContact O-N 2.88Å; R60-M62 VanDerWaalsContact C-N 3.32Å; R60-M62 PolarHBondContact O-N 3.21Å; R60-A63 WeakPolarHBondContact O-CB 3.34Å; R60-A63 PolarHBondContact O-N 3.31Å; R60-A63 VanDerWaalsContact O-N 3.16Å; R60-D64 VanDerWaalsContact O-CG 3.3Å; R60-D64 PolarHBondContact O-N 2.98Å |
| 61 | Y | 95.9 | Very high | 96 | Very high | 67 Ų | 67 | 22.9 Ų | 22.9 | 26% | 0.263 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -57.9 | -44.9 | 172.3 | 171.5 | -92.2 | 0 | 0 | 0 | 111.6 | L16 Y18 P57 N58 A63 D64 M65 | L16-Y61 HydrophobicContact CD1-CD1 3.91Å; L16-Y61 HydrophobicContact CD1-CD2 4.28Å; L16-Y61 HydrophobicContact CD1-CG 3.73Å; Y18-Y61 HydrophobicContact CD1-CD2 4.48Å; Y18-Y61 HydrophobicContact CD2-CD2 4.14Å; Y18-Y61 VanDerWaalsContact CE1-CA 3.46Å; Y18-Y61 HydrophobicContact CE1-CD2 4.39Å; Y18-Y61 HydrophobicContact CE2-CD2 4.07Å; Y18-Y61 HydrophobicContact CG-CD2 4.33Å; P57-Y61 WeakPolarHBondContact O-CB 3.49Å; P57-Y61 PolarHBondContact O-N 2.9Å; N58-Y61 WeakPolarHBondContact O-CB 3.4Å; N58-Y61 PolarHBondContact O-N 3.4Å; Y61-A63 VanDerWaalsContact C-N 3.34Å; Y61-A63 PolarHBondContact O-N 3.07Å; Y61-D64 PolarHBondContact O-N 2.77Å; Y61-M65 WeakPolarHBondContact O-CB 3.44Å; Y61-M65 PolarHBondContact O-N 2.67Å |
| 62 | M | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 175.1 | -70.5 | -55.8 | -61 | 0 | 0 | 112.1 | N58 T59 R60 D64 M65 I66 F131 V215 H216 R234 L237 | N58-M62 WeakPolarHBondContact O-CG 3.13Å; N58-M62 PolarHBondContact O-N 2.68Å; N58-M62 VanDerWaalsContact O-N 3.07Å; T59-M62 WeakPolarHBondContact O-CB 3.34Å; T59-M62 PolarHBondContact O-N 2.99Å; R60-M62 VanDerWaalsContact C-N 3.32Å; R60-M62 PolarHBondContact O-N 3.21Å; M62-D64 VanDerWaalsContact C-N 3.33Å; M62-D64 PolarHBondContact O-N 2.84Å; M62-M65 HydrophobicContact CE-CE 3.46Å; M62-M65 VanDerWaalsContact CE-CE 3.46Å; M62-M65 PolarHBondContact O-N 3.24Å; M62-M65 HydrophobicContact SD-CE 4.26Å; M62-I66 WeakPolarHBondContact O-CB 3.02Å; M62-I66 WeakPolarHBondContact O-CD1 3.47Å; M62-I66 VanDerWaalsContact O-CG1 3.23Å; M62-I66 WeakPolarHBondContact O-CG1 3.44Å; M62-I66 PolarHBondContact O-N 2.9Å; M62-F131 HydrophobicContact CB-CE2 3.92Å; M62-F131 HydrophobicContact CB-CZ 3.81Å; M62-F131 HydrophobicContact CE-CE1 4.23Å; M62-F131 HydrophobicContact CE-CZ 3.8Å; M62-F131 HydrophobicContact CG-CE1 4.46Å; M62-F131 HydrophobicContact CG-CE2 4.13Å; M62-F131 HydrophobicContact CG-CZ 3.74Å; M62-V215 HydrophobicContact CE-CG1 4.21Å; M62-H216 HydrophobicContact CG-CB 3.55Å; M62-H216 HydrophobicContact SD-CB 4.17Å; M62-R234 HydrophobicContact CE-CG 3.92Å; M62-R234 HydrophobicContact SD-CG 4.39Å; M62-L237 HydrophobicContact CE-CD1 4.43Å |
| 63 | A | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.5 | -38.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V47 T59 R60 Y61 S67 T73 V75 | V47-A63 HydrophobicContact CB-CB 4.3Å; V47-A63 HydrophobicContact CG1-CB 4.4Å; V47-A63 HydrophobicContact CG2-CB 4.06Å; T59-A63 PolarHBondContact O-N 3.36Å; R60-A63 WeakPolarHBondContact O-CB 3.34Å; R60-A63 PolarHBondContact O-N 3.31Å; R60-A63 VanDerWaalsContact O-N 3.16Å; Y61-A63 VanDerWaalsContact C-N 3.34Å; Y61-A63 PolarHBondContact O-N 3.07Å; A63-S67 WeakPolarHBondContact O-CB 3.46Å; A63-S67 PolarHBondContact O-N 2.83Å; A63-T73 WeakPolarHBondContact O-CB 3.31Å; A63-T73 WeakPolarHBondContact O-CG2 3.43Å; A63-T73 PolarHBondContact O-OG1 3.04Å; A63-V75 HydrophobicContact CB-CG2 3.44Å; A63-V75 VanDerWaalsContact CB-CG2 3.44Å |
| 64 | D | 96.7 | Very high | 96.3 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -74.4 | -36.7 | 179.2 | -68.5 | -12.8 | 0 | 0 | 0 | 111.7 | Y18 G20 L21 Y33 T35 R60 Y61 M62 S67 G68 | Y18-D64 HydrophobicContact CE1-CB 4.23Å; Y18-D64 WeakPolarHBondContact CE1-OD2 3.18Å; Y18-D64 WeakPolarHBondContact OH-CB 3.44Å; Y18-D64 PolarHBondContact OH-OD2 2.8Å; G20-D64 WeakPolarHBondContact CA-OD2 3.33Å; L21-D64 HydrophobicContact CD1-CB 4.36Å; L21-D64 PolarHBondContact N-OD2 3Å; Y33-D64 WeakPolarHBondContact CE1-OD1 3.41Å; Y33-D64 PolarHBondContact OH-OD1 3.43Å; Y33-D64 PolarHBondContact OH-OD2 3.21Å; T35-D64 VanDerWaalsContact CB-OD1 3.28Å; T35-D64 WeakPolarHBondContact CB-OD1 3.37Å; T35-D64 VanDerWaalsContact CG2-OD1 3.3Å; T35-D64 WeakPolarHBondContact CG2-OD1 3.27Å; T35-D64 PolarHBondContact OG1-OD1 2.88Å; R60-D64 VanDerWaalsContact O-CG 3.3Å; R60-D64 PolarHBondContact O-N 2.98Å; Y61-D64 PolarHBondContact O-N 2.77Å; M62-D64 VanDerWaalsContact C-N 3.33Å; M62-D64 PolarHBondContact O-N 2.84Å; D64-S67 WeakPolarHBondContact O-CB 3.48Å; D64-S67 PolarHBondContact O-N 2.98Å; D64-S67 VanDerWaalsContact O-N 3.15Å; D64-G68 PolarHBondContact O-N 3.17Å |
| 65 | M | 96.1 | Very high | 96.4 | Very high | 41 Ų | 41 | 22 Ų | 22 | 20% | 0.202 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.8 | -46.7 | 172 | -179 | -78.8 | -67.2 | 0 | 0 | 111.4 | Y61 M62 S67 G68 N69 R234 I238 | Y61-M65 WeakPolarHBondContact O-CB 3.44Å; Y61-M65 PolarHBondContact O-N 2.67Å; M62-M65 HydrophobicContact CE-CE 3.46Å; M62-M65 VanDerWaalsContact CE-CE 3.46Å; M62-M65 PolarHBondContact O-N 3.24Å; M62-M65 HydrophobicContact SD-CE 4.26Å; M65-S67 PolarHBondContact O-N 3.06Å; M65-G68 PolarHBondContact O-N 3.04Å; M65-N69 PolarHBondContact O-N 2.8Å; M65-N69 PolarHBondContact O-ND2 2.52Å; M65-R234 HydrophobicContact CE-CB 4.22Å; M65-R234 HydrophobicContact CE-CG 4.43Å; M65-I238 HydrophobicContact CE-CD1 4.34Å; M65-I238 HydrophobicContact CE-CG1 4.43Å; M65-I238 HydrophobicContact SD-CD1 3.92Å; M65-I238 HydrophobicContact SD-CG1 3.99Å |
| 66 | I | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.6 | -38.4 | 173.9 | -66.8 | 162.4 | 0 | 0 | 0 | 109.6 | V45 V47 M62 G68 N69 Y71 T73 V129 L237 I238 L241 | V45-I66 HydrophobicContact CB-CG2 4.16Å; V45-I66 HydrophobicContact CG1-CG2 4.34Å; V45-I66 HydrophobicContact CG2-CG2 4.09Å; V47-I66 HydrophobicContact CG2-CD1 4Å; M62-I66 WeakPolarHBondContact O-CB 3.02Å; M62-I66 WeakPolarHBondContact O-CD1 3.47Å; M62-I66 VanDerWaalsContact O-CG1 3.23Å; M62-I66 WeakPolarHBondContact O-CG1 3.44Å; M62-I66 PolarHBondContact O-N 2.9Å; I66-G68 PolarHBondContact O-N 2.86Å; I66-N69 WeakPolarHBondContact O-CB 3.13Å; I66-N69 PolarHBondContact O-N 3.41Å; I66-Y71 HydrophobicContact CG2-CD2 4.04Å; I66-Y71 HydrophobicContact CG2-CG 4.2Å; I66-Y71 WeakPolarHBondContact O-CD2 3.3Å; I66-T73 HydrophobicContact CB-CG2 3.88Å; I66-T73 HydrophobicContact CG2-CG2 3.59Å; I66-V129 HydrophobicContact CD1-CB 4.44Å; I66-V129 HydrophobicContact CD1-CG1 4.31Å; I66-V129 HydrophobicContact CD1-CG2 4.2Å; I66-L237 HydrophobicContact CD1-CD2 3.98Å; I66-L237 HydrophobicContact CG1-CD2 3.91Å; I66-I238 HydrophobicContact CB-CD1 4.38Å; I66-I238 HydrophobicContact CG1-CD1 3.94Å; I66-L241 HydrophobicContact CG2-CD1 4.08Å |
| 67 | S | 96.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.6 | -39.4 | 179.1 | -165.1 | 0 | 0 | 0 | 0 | 113.6 | T35 K36 S37 P38 A63 D64 M65 N69 G70 Y71 | T35-S67 PolarHBondContact O-OG 2.85Å; K36-S67 PolarHBondContact O-OG 2.66Å; S37-S67 PolarHBondContact N-OG 3.22Å; P38-S67 WeakPolarHBondContact CD-O 3.36Å; A63-S67 WeakPolarHBondContact O-CB 3.46Å; A63-S67 PolarHBondContact O-N 2.83Å; D64-S67 WeakPolarHBondContact O-CB 3.48Å; D64-S67 PolarHBondContact O-N 2.98Å; D64-S67 VanDerWaalsContact O-N 3.15Å; M65-S67 PolarHBondContact O-N 3.06Å; S67-N69 PolarHBondContact O-N 3.49Å; S67-G70 PolarHBondContact O-N 3.08Å; S67-Y71 WeakPolarHBondContact CA-O 3.28Å; S67-Y71 WeakPolarHBondContact CB-O 3.39Å; S67-Y71 PolarHBondContact O-N 3.36Å; S67-Y71 PolarHBondContact OG-O 3.21Å |
| 68 | G | 94.8 | Very high | 96.9 | Very high | 58 Ų | 58 | 16.5 Ų | 16.5 | 60% | 0.598 | 10% | 0.099 | S | C | * | . | H | α-helix | trans | -58.8 | -17 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D64 M65 I66 | D64-G68 PolarHBondContact O-N 3.17Å; M65-G68 PolarHBondContact O-N 3.04Å; I66-G68 PolarHBondContact O-N 2.86Å |
| 69 | N | 95.1 | Very high | 97.1 | Very high | 77 Ų | 77 | 16.6 Ų | 16.6 | 41% | 0.412 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 16.9 | 175.3 | -74.1 | -87.4 | 0 | 0 | 0 | 113.7 | M65 I66 S67 Y71 I238 | M65-N69 PolarHBondContact O-N 2.8Å; M65-N69 PolarHBondContact O-ND2 2.52Å; I66-N69 WeakPolarHBondContact O-CB 3.13Å; I66-N69 PolarHBondContact O-N 3.41Å; S67-N69 PolarHBondContact O-N 3.49Å; N69-Y71 HydrophobicContact CB-CD2 4.24Å; N69-Y71 HydrophobicContact CB-CE2 4.29Å; N69-Y71 WeakPolarHBondContact O-CD2 3.42Å; N69-Y71 WeakPolarHBondContact O-CE2 3.16Å; N69-I238 HydrophobicContact CB-CD1 4.06Å; N69-I238 HydrophobicContact CB-CG2 4.19Å |
| 70 | G | 94.4 | Very high | 97.1 | Very high | 18 Ų | 18 | 19.3 Ų | 19.3 | 19% | 0.186 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | 20.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S37 S67 | S37-G70 VanDerWaalsContact OG-CA 3.29Å; S37-G70 WeakPolarHBondContact OG-CA 3.29Å; S37-G70 PolarHBondContact OG-O 3.33Å; S67-G70 PolarHBondContact O-N 3.08Å |
| 71 | Y | 97.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | trans | -115.9 | 136.7 | -179.7 | -60.5 | -84.6 | 0 | 0 | 0 | 111.2 | K43 V45 I66 S67 N69 T73 L241 N242 M245 | K43-Y71 HydrophobicContact CB-CD1 3.76Å; K43-Y71 HydrophobicContact CB-CE1 4.07Å; K43-Y71 HydrophobicContact CD-CD1 4.38Å; K43-Y71 HydrophobicContact CD-CE1 3.88Å; V45-Y71 HydrophobicContact CG2-CD1 3.68Å; V45-Y71 HydrophobicContact CG2-CE1 4.41Å; V45-Y71 HydrophobicContact CG2-CG 3.88Å; I66-Y71 HydrophobicContact CG2-CD2 4.04Å; I66-Y71 HydrophobicContact CG2-CG 4.2Å; I66-Y71 WeakPolarHBondContact O-CD2 3.3Å; S67-Y71 WeakPolarHBondContact CA-O 3.28Å; S67-Y71 WeakPolarHBondContact CB-O 3.39Å; S67-Y71 PolarHBondContact O-N 3.36Å; S67-Y71 PolarHBondContact OG-O 3.21Å; N69-Y71 HydrophobicContact CB-CD2 4.24Å; N69-Y71 HydrophobicContact CB-CE2 4.29Å; N69-Y71 WeakPolarHBondContact O-CD2 3.42Å; N69-Y71 WeakPolarHBondContact O-CE2 3.16Å; Y71-T73 PolarHBondContact O-N 3.43Å; Y71-L241 HydrophobicContact CE1-CB 4.36Å; Y71-L241 HydrophobicContact CE2-CB 4.32Å; Y71-L241 VanDerWaalsContact OH-C 3.31Å; Y71-N242 WeakPolarHBondContact OH-CA 3.45Å; Y71-N242 PolarHBondContact OH-N 2.85Å; Y71-N242 PolarHBondContact OH-OD1 3.4Å; Y71-M245 HydrophobicContact CD1-CE 4.45Å; Y71-M245 HydrophobicContact CE1-CB 3.75Å; Y71-M245 HydrophobicContact CE1-CE 4.37Å; Y71-M245 HydrophobicContact CE1-CG 4.18Å | ||
| 72 | T | 97.9 | Very high | 97 | Very high | 16 Ų | 16 | 21.1 Ų | 21.1 | 10% | 0.098 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 120.7 | 163.7 | -69.7 | 0 | 0 | 0 | 0 | 107.8 | V34 T35 S37 K43 A44 V45 C121 | V34-T72 HydrophobicContact CG1-CG2 4.47Å; T35-T72 CarbonylContact O-C 3.48Å; T35-T72 WeakPolarHBondContact O-CA 3.18Å; S37-T72 PolarHBondContact N-OG1 3.27Å; K43-T72 PolarHBondContact O-N 2.91Å; A44-T72 CarbonylContact C-O 3.59Å; A44-T72 WeakPolarHBondContact CA-O 3.32Å; A44-T72 WeakPolarHBondContact CB-O 3.06Å; V45-T72 PolarHBondContact N-O 2.67Å; T72-C121 HydrophobicContact CG2-CB 4.29Å |
| 73 | T | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 149.4 | -178.9 | 61.3 | 0 | 0 | 0 | 0 | 111.6 | V34 T35 V45 A63 I66 Y71 | V34-T73 WeakPolarHBondContact CA-O 3.32Å; T35-T73 WeakPolarHBondContact CB-OG1 3.25Å; T35-T73 PolarHBondContact N-O 3.11Å; T35-T73 PolarHBondContact O-N 3.4Å; V45-T73 HydrophobicContact CB-CG2 4.3Å; V45-T73 WeakPolarHBondContact O-CA 3.39Å; A63-T73 WeakPolarHBondContact O-CB 3.31Å; A63-T73 WeakPolarHBondContact O-CG2 3.43Å; A63-T73 PolarHBondContact O-OG1 3.04Å; I66-T73 HydrophobicContact CB-CG2 3.88Å; I66-T73 HydrophobicContact CG2-CG2 3.59Å; Y71-T73 PolarHBondContact O-N 3.43Å |
| 74 | I | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 131.3 | 173.4 | -177.1 | 164.4 | 0 | 0 | 0 | 109 | I27 A32 Y33 V34 V45 I46 V47 P76 V113 Y116 L117 | I27-I74 HydrophobicContact CD1-CD1 3.33Å; A32-I74 HydrophobicContact CB-CD1 3.82Å; A32-I74 HydrophobicContact CB-CG1 3.78Å; Y33-I74 CarbonylContact O-C 3.3Å; Y33-I74 WeakPolarHBondContact O-CA 3.48Å; V34-I74 HydrophobicContact CG2-CB 4.14Å; V34-I74 HydrophobicContact CG2-CD1 3.82Å; V34-I74 HydrophobicContact CG2-CG1 3.75Å; V45-I74 PolarHBondContact O-N 2.79Å; I46-I74 HydrophobicContact CB-CG2 4.25Å; I46-I74 HydrophobicContact CG1-CG2 3.89Å; I46-I74 HydrophobicContact CG2-CG2 4.43Å; V47-I74 PolarHBondContact N-O 2.83Å; I74-P76 HydrophobicContact CG1-CG 4.14Å; I74-P76 WeakPolarHBondContact O-CD 3.31Å; I74-V113 HydrophobicContact CD1-CG1 4.09Å; I74-V113 HydrophobicContact CG2-CG1 3.97Å; I74-Y116 HydrophobicContact CD1-CD1 4.01Å; I74-Y116 HydrophobicContact CD1-CE1 4.26Å; I74-L117 HydrophobicContact CB-CD2 4.37Å; I74-L117 HydrophobicContact CG2-CD1 3.96Å; I74-L117 HydrophobicContact CG2-CD2 3.9Å; I74-L117 HydrophobicContact CG2-CG 4.21Å |
| 75 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 91.8 | 172.1 | -166.9 | 0 | 0 | 0 | 0 | 107.7 | A32 Y33 V47 W54 T59 A63 | A32-V75 CarbonylContact C-O 3.56Å; A32-V75 VanDerWaalsContact CA-O 3.26Å; A32-V75 WeakPolarHBondContact CA-O 3.3Å; Y33-V75 HydrophobicContact CD1-CG2 4.02Å; Y33-V75 PolarHBondContact N-O 3.26Å; Y33-V75 PolarHBondContact O-N 2.93Å; V47-V75 HydrophobicContact CB-CG2 4.09Å; V47-V75 HydrophobicContact CG1-CG2 4.41Å; V47-V75 WeakPolarHBondContact O-CA 3.43Å; W54-V75 HydrophobicContact CB-CG1 3.72Å; T59-V75 HydrophobicContact CG2-CG1 3.82Å; A63-V75 HydrophobicContact CB-CG2 3.44Å; A63-V75 VanDerWaalsContact CB-CG2 3.44Å |
| 76 | P | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 146.7 | 179.2 | -11.2 | 27.4 | 0 | 0 | 0 | 112 | I30 A32 I46 Q49 I74 F78 V113 | I30-P76 HydrophobicContact CD1-CB 3.97Å; A32-P76 HydrophobicContact CB-CB 4.47Å; I46-P76 HydrophobicContact CG2-CG 3.96Å; Q49-P76 PolarHBondContact OE1-O 3.49Å; I74-P76 HydrophobicContact CG1-CG 4.14Å; I74-P76 WeakPolarHBondContact O-CD 3.31Å; P76-F78 HydrophobicContact CB-CD2 4.12Å; P76-F78 HydrophobicContact CB-CE1 4.44Å; P76-F78 HydrophobicContact CB-CE2 3.76Å; P76-F78 HydrophobicContact CB-CZ 3.94Å; P76-F78 HydrophobicContact CG-CD2 4.41Å; P76-F78 HydrophobicContact CG-CE2 3.6Å; P76-F78 HydrophobicContact CG-CZ 3.71Å; P76-F78 WeakPolarHBondContact O-CD2 3.42Å; P76-F78 PolarHBondContact O-N 2.9Å; P76-V113 HydrophobicContact CB-CG2 3.72Å; P76-V113 HydrophobicContact CG-CB 4.47Å; P76-V113 HydrophobicContact CG-CG1 4.13Å; P76-V113 HydrophobicContact CG-CG2 3.51Å |
| 77 | D | 98.4 | Very high | 96 | Very high | 11 Ų | 11 | 34.3 Ų | 34.3 | 6% | 0.059 | 21% | 0.214 | C | C | . | . | trans | -74.6 | 86.6 | 166.4 | -176.4 | 7.9 | 0 | 0 | 0 | 110.5 | K31 W54 F79 V80 G81 | K31-D77 HydrophobicContact CB-CB 4.37Å; K31-D77 VanDerWaalsContact O-CB 3.3Å; K31-D77 WeakPolarHBondContact O-CB 3.33Å; K31-D77 PolarHBondContact O-N 3.33Å; W54-D77 VanDerWaalsContact CD1-CB 3.44Å; W54-D77 VanDerWaalsContact CD1-CG 3.41Å; W54-D77 HydrophobicContact CD2-CB 4.14Å; W54-D77 HydrophobicContact CG-CB 3.96Å; W54-D77 VanDerWaalsContact NE1-CB 3.35Å; W54-D77 PolarHBondContact NE1-OD2 2.74Å; D77-F79 PolarHBondContact O-N 3.15Å; D77-F79 PolarHBondContact OD1-N 2.89Å; D77-V80 PolarHBondContact O-N 2.91Å; D77-V80 PolarHBondContact OD1-N 2.66Å; D77-G81 PolarHBondContact OD2-N 2.94Å | ||
| 78 | F | 98.4 | Very high | 95.6 | Very high | 11 Ų | 11 | 39 Ų | 39 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -8.3 | 176.5 | -73.2 | -72.5 | 0 | 0 | 0 | 113.9 | I46 I48 P76 V80 I106 E109 I110 W133 | I46-F78 HydrophobicContact CG2-CE2 4.36Å; I46-F78 HydrophobicContact CG2-CZ 4.22Å; I48-F78 HydrophobicContact CB-CE2 4.19Å; I48-F78 HydrophobicContact CD1-CE2 4.18Å; I48-F78 HydrophobicContact CD1-CZ 4.36Å; I48-F78 HydrophobicContact CG1-CE2 3.76Å; I48-F78 HydrophobicContact CG1-CZ 4.34Å; I48-F78 HydrophobicContact CG2-CD2 3.71Å; I48-F78 HydrophobicContact CG2-CE2 3.83Å; P76-F78 HydrophobicContact CB-CD2 4.12Å; P76-F78 HydrophobicContact CB-CE1 4.44Å; P76-F78 HydrophobicContact CB-CE2 3.76Å; P76-F78 HydrophobicContact CB-CZ 3.94Å; P76-F78 HydrophobicContact CG-CD2 4.41Å; P76-F78 HydrophobicContact CG-CE2 3.6Å; P76-F78 HydrophobicContact CG-CZ 3.71Å; P76-F78 WeakPolarHBondContact O-CD2 3.42Å; P76-F78 PolarHBondContact O-N 2.9Å; F78-V80 VanDerWaalsContact C-N 3.33Å; F78-I106 HydrophobicContact CB-CG2 4.49Å; F78-I106 HydrophobicContact CD1-CB 3.86Å; F78-I106 HydrophobicContact CD1-CD1 4.25Å; F78-I106 HydrophobicContact CD1-CG2 4.02Å; F78-I106 HydrophobicContact CE1-CB 4.19Å; F78-I106 HydrophobicContact CE1-CD1 4.04Å; F78-E109 HydrophobicContact CD1-CB 3.72Å; F78-E109 HydrophobicContact CD1-CG 4.38Å; F78-E109 HydrophobicContact CE1-CB 3.82Å; F78-I110 HydrophobicContact CE1-CD1 3.63Å; F78-I110 HydrophobicContact CE1-CG1 3.82Å; F78-I110 HydrophobicContact CZ-CD1 3.49Å; F78-I110 VanDerWaalsContact CZ-CD1 3.49Å; F78-I110 HydrophobicContact CZ-CG1 4.22Å; F78-W133 HydrophobicContact CB-CH2 3.69Å; F78-W133 HydrophobicContact CB-CZ3 3.83Å; F78-W133 HydrophobicContact CG-CH2 4.42Å; F78-W133 HydrophobicContact CG-CZ3 4.34Å |
| 79 | F | 97.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -5.8 | 172.8 | -62.7 | -13.5 | 0 | 0 | 0 | 112.1 | Q49 D77 G81 Q82 P84 W97 R101 W133 | Q49-F79 VanDerWaalsContact NE2-CG 3.31Å; D77-F79 PolarHBondContact O-N 3.15Å; D77-F79 PolarHBondContact OD1-N 2.89Å; F79-G81 VanDerWaalsContact C-N 3.31Å; F79-G81 PolarHBondContact O-N 3.4Å; F79-Q82 HydrophobicContact CB-CB 4.27Å; F79-Q82 WeakPolarHBondContact CB-O 3.2Å; F79-Q82 WeakPolarHBondContact O-CB 3.37Å; F79-Q82 VanDerWaalsContact O-CG 3.26Å; F79-Q82 WeakPolarHBondContact O-CG 3.31Å; F79-Q82 PolarHBondContact O-N 3.12Å; F79-P84 HydrophobicContact CD2-CB 4.42Å; F79-P84 HydrophobicContact CD2-CG 4.42Å; F79-P84 HydrophobicContact CE2-CB 4.25Å; F79-W97 HydrophobicContact CD2-CZ2 4.29Å; F79-W97 HydrophobicContact CE1-CH2 4.29Å; F79-W97 AromaticContact CE2-CH2 3.79Å; F79-W97 HydrophobicContact CE2-CH2 3.79Å; F79-W97 AromaticContact CE2-CZ2 3.58Å; F79-W97 HydrophobicContact CE2-CZ2 3.58Å; F79-W97 AromaticContact CZ-CH2 3.5Å; F79-W97 HydrophobicContact CZ-CH2 3.5Å; F79-W97 AromaticContact CZ-CZ2 3.8Å; F79-W97 HydrophobicContact CZ-CZ2 3.8Å; F79-R101 HydrophobicContact CD1-CB 3.97Å; F79-R101 HydrophobicContact CD1-CG 3.88Å; F79-R101 HydrophobicContact CE1-CB 3.98Å; F79-R101 HydrophobicContact CE1-CG 4.27Å; F79-R101 HydrophobicContact CG-CG 4.18Å; F79-W133 HydrophobicContact CD1-CH2 4.41Å; F79-W133 HydrophobicContact CD1-CZ2 4.37Å; F79-W133 HydrophobicContact CE1-CD2 4.05Å; F79-W133 AromaticContact CE1-CE2 3.81Å; F79-W133 HydrophobicContact CE1-CE3 4.21Å; F79-W133 AromaticContact CE1-CH2 3.99Å; F79-W133 HydrophobicContact CE1-CH2 3.99Å; F79-W133 AromaticContact CE1-CZ2 3.79Å; F79-W133 HydrophobicContact CE1-CZ2 3.79Å; F79-W133 HydrophobicContact CE1-CZ3 4.2Å; F79-W133 HydrophobicContact CZ-CD2 4.48Å |
| 80 | V | 96.7 | Very high | 95.3 | Very high | 58 Ų | 58 | 39.6 Ų | 39.6 | 35% | 0.352 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 47.1 | 172.8 | -164.7 | 0 | 0 | 0 | 0 | 110.8 | I30 D77 F78 Q82 E109 | I30-V80 HydrophobicContact CG2-CB 4.43Å; I30-V80 HydrophobicContact CG2-CG1 4.17Å; I30-V80 HydrophobicContact CG2-CG2 3.95Å; D77-V80 PolarHBondContact O-N 2.91Å; D77-V80 PolarHBondContact OD1-N 2.66Å; F78-V80 VanDerWaalsContact C-N 3.33Å; V80-Q82 PolarHBondContact O-N 2.83Å; V80-E109 HydrophobicContact CG2-CG 3.88Å |
| 81 | G | 95.1 | Very high | 95 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 61% | 0.608 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | -0.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D77 F79 | D77-G81 PolarHBondContact OD2-N 2.94Å; F79-G81 VanDerWaalsContact C-N 3.31Å; F79-G81 PolarHBondContact O-N 3.4Å |
| 82 | Q | 95.5 | Very high | 94.7 | Very high | 81 Ų | 81 | 45.7 Ų | 45.7 | 38% | 0.379 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 145.6 | 170.5 | -61.3 | -179.7 | 58.4 | 0 | 0 | 111 | F79 V80 | F79-Q82 HydrophobicContact CB-CB 4.27Å; F79-Q82 WeakPolarHBondContact CB-O 3.2Å; F79-Q82 WeakPolarHBondContact O-CB 3.37Å; F79-Q82 VanDerWaalsContact O-CG 3.26Å; F79-Q82 WeakPolarHBondContact O-CG 3.31Å; F79-Q82 PolarHBondContact O-N 3.12Å; V80-Q82 PolarHBondContact O-N 2.83Å |
| 83 | E | 94.9 | Very high | 94.5 | Very high | 144 Ų | 144 | 48.1 Ų | 48.1 | 67% | 0.673 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -62 | 135.3 | -175.3 | -67.4 | -58.9 | 151.8 | 0 | 0 | 112.6 | W97 R101 | E83-W97 PolarHBondContact O-NE1 2.93Å; E83-W97 VanDerWaalsContact O-NE1 3.15Å; E83-R101 PolarHBondContact O-NE 3.44Å; E83-R101 PolarHBondContact O-NH2 3.32Å |
| 84 | P | 96.2 | Very high | 94.2 | Very high | 43 Ų | 43 | 50.3 Ų | 50.3 | 28% | 0.279 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 170.3 | 167.7 | -20.9 | 33.2 | 0 | 0 | 0 | 112.7 | I51 F52 F79 D86 | I51-P84 WeakPolarHBondContact O-CB 2.85Å; F52-P84 VanDerWaalsContact C-CB 3.43Å; F52-P84 WeakPolarHBondContact O-CB 3.34Å; F79-P84 HydrophobicContact CD2-CB 4.42Å; F79-P84 HydrophobicContact CD2-CG 4.42Å; F79-P84 HydrophobicContact CE2-CB 4.25Å; P84-D86 PolarHBondContact O-N 3.46Å |
| 85 | W | 95.4 | Very high | 93.8 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 127.3 | 173.5 | -175.6 | -107.4 | 0 | 0 | 0 | 110.1 | I51 F52 D90 W91 F94 W97 | I51-W85 HydrophobicContact CB-CB 4.02Å; I51-W85 HydrophobicContact CD1-CB 4.1Å; I51-W85 HydrophobicContact CD1-CG 4.1Å; I51-W85 HydrophobicContact CG1-CB 4.14Å; I51-W85 PolarHBondContact O-N 3.28Å; F52-W85 WeakPolarHBondContact CD1-O 3.4Å; W85-D90 WeakPolarHBondContact CH2-O 3.22Å; W85-W91 AromaticContact CD1-CH2 3.75Å; W85-W91 AromaticContact CD1-CZ2 3.95Å; W85-W91 AromaticContact CZ2-CD2 3.86Å; W85-W91 HydrophobicContact CZ2-CD2 3.86Å; W85-W91 AromaticContact CZ2-CE3 3.94Å; W85-W91 HydrophobicContact CZ2-CE3 3.94Å; W85-W91 HydrophobicContact CZ2-CG 4.2Å; W85-W91 HydrophobicContact CZ2-CZ3 4.34Å; W85-W91 AromaticContact NE1-CE2 3.6Å; W85-W91 AromaticContact NE1-CH2 3.17Å; W85-W91 AromaticContact NE1-CZ2 3.13Å; W85-W91 AromaticContact NE1-CZ3 3.62Å; W85-F94 AromaticContact CD2-CD2 3.52Å; W85-F94 HydrophobicContact CD2-CD2 3.52Å; W85-F94 AromaticContact CD2-CE2 3.97Å; W85-F94 HydrophobicContact CD2-CE2 3.97Å; W85-F94 AromaticContact CE2-CD2 3.64Å; W85-F94 AromaticContact CE3-CD2 3.62Å; W85-F94 HydrophobicContact CE3-CD2 3.62Å; W85-F94 HydrophobicContact CE3-CE2 4.29Å; W85-F94 HydrophobicContact CG-CD2 4.12Å; W85-F94 HydrophobicContact CG-CE2 4.07Å; W85-F94 HydrophobicContact CH2-CB 3.63Å; W85-F94 AromaticContact CH2-CD2 3.93Å; W85-F94 HydrophobicContact CH2-CD2 3.93Å; W85-F94 HydrophobicContact CH2-CG 4.29Å; W85-F94 HydrophobicContact CZ2-CB 3.95Å; W85-F94 AromaticContact CZ2-CD2 3.86Å; W85-F94 HydrophobicContact CZ2-CD2 3.86Å; W85-F94 HydrophobicContact CZ2-CG 4.34Å; W85-F94 HydrophobicContact CZ3-CB 4.05Å; W85-F94 AromaticContact CZ3-CD2 3.81Å; W85-F94 HydrophobicContact CZ3-CD2 3.81Å; W85-F94 HydrophobicContact CZ3-CG 4.45Å; W85-W97 HydrophobicContact CB-CD2 4.33Å; W85-W97 HydrophobicContact CB-CH2 4.2Å; W85-W97 HydrophobicContact CB-CZ2 3.84Å; W85-W97 HydrophobicContact CE3-CB 3.89Å; W85-W97 AromaticContact CE3-CD1 3.78Å; W85-W97 AromaticContact CE3-CD2 3.88Å; W85-W97 HydrophobicContact CE3-CD2 3.88Å; W85-W97 HydrophobicContact CE3-CE3 4.47Å; W85-W97 AromaticContact CE3-CG 3.57Å; W85-W97 HydrophobicContact CE3-CG 3.57Å; W85-W97 HydrophobicContact CZ3-CB 3.81Å; W85-W97 HydrophobicContact CZ3-CG 4.01Å; W85-W97 VanDerWaalsContact N-CZ2 3.27Å |
| 86 | D | 91.2 | Very high | 93.6 | Very high | 84 Ų | 84 | 59.2 Ų | 59.2 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -93.2 | 120.4 | 171.5 | -176.3 | -26.6 | 0 | 0 | 0 | 108.8 | P84 S88 S89 | P84-D86 PolarHBondContact O-N 3.46Å; D86-S88 PolarHBondContact O-N 3.06Å; D86-S88 WeakPolarHBondContact OD1-CB 3.39Å; D86-S88 PolarHBondContact OD1-N 3.35Å; D86-S88 PolarHBondContact OD1-OG 2.68Å; D86-S88 PolarHBondContact OD2-OG 2.93Å; D86-S89 WeakPolarHBondContact O-CB 3.34Å; D86-S89 PolarHBondContact O-N 2.78Å; D86-S89 PolarHBondContact O-OG 3.37Å |
| 87 | P | 86.1 | Confident | 93.4 | Very high | 43 Ų | 43 | 60.3 Ų | 60.3 | 28% | 0.279 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -22.7 | 178 | -22.4 | 30.4 | 0 | 0 | 0 | 115 | I12 F52 S89 | I12-P87 HydrophobicContact CB-CG 3.96Å; I12-P87 HydrophobicContact CD1-CG 4.28Å; I12-P87 HydrophobicContact CG2-CG 4.2Å; F52-P87 HydrophobicContact CD1-CG 4.2Å; F52-P87 HydrophobicContact CE1-CG 3.8Å; P87-S89 VanDerWaalsContact C-N 3.33Å |
| 88 | S | 88.9 | Confident | 93.1 | Very high | 101 Ų | 101 | 62.1 Ų | 62.1 | 71% | 0.706 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -8.8 | 176.8 | 72.2 | 0 | 0 | 0 | 0 | 113.8 | D86 | D86-S88 PolarHBondContact O-N 3.06Å; D86-S88 WeakPolarHBondContact OD1-CB 3.39Å; D86-S88 PolarHBondContact OD1-N 3.35Å; D86-S88 PolarHBondContact OD1-OG 2.68Å; D86-S88 PolarHBondContact OD2-OG 2.93Å |
| 89 | S | 90.7 | Very high | 92.7 | Very high | 47 Ų | 47 | 67.9 Ų | 67.9 | 33% | 0.329 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -68.4 | 158.1 | 175.6 | -67.1 | 0 | 0 | 0 | 0 | 112.3 | D86 P87 W91 | D86-S89 WeakPolarHBondContact O-CB 3.34Å; D86-S89 PolarHBondContact O-N 2.78Å; D86-S89 PolarHBondContact O-OG 3.37Å; P87-S89 VanDerWaalsContact C-N 3.33Å; S89-W91 PolarHBondContact O-N 2.77Å; S89-W91 VanDerWaalsContact O-N 3.16Å |
| 90 | D | 91.8 | Very high | 92.5 | Very high | 101 Ų | 101 | 71.6 Ų | 71.6 | 54% | 0.54 | 41% | 0.406 | S | S | . | . | trans | -67.3 | 112.1 | 172.1 | 178.3 | 8.1 | 0 | 0 | 0 | 110.8 | W85 S92 T93 | W85-D90 WeakPolarHBondContact CH2-O 3.22Å; D90-S92 PolarHBondContact O-N 3.32Å; D90-S92 VanDerWaalsContact O-N 3.1Å; D90-S92 VanDerWaalsContact OD1-CB 3.3Å; D90-S92 WeakPolarHBondContact OD1-CB 3.45Å; D90-S92 PolarHBondContact OD1-N 3.35Å; D90-S92 PolarHBondContact OD1-OG 3.32Å; D90-S92 PolarHBondContact OD2-OG 3.03Å; D90-T93 HydrophobicContact CB-CG2 4.27Å; D90-T93 WeakPolarHBondContact O-CB 3.43Å; D90-T93 PolarHBondContact O-N 2.92Å; D90-T93 PolarHBondContact O-OG1 3.35Å | ||
| 91 | W | 87.8 | Confident | 92.4 | Very high | 62 Ų | 62 | 70.3 Ų | 70.3 | 24% | 0.235 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -58.8 | -20.3 | 178.3 | -76.1 | 88.6 | 0 | 0 | 0 | 114.2 | C8 P9 C10 I51 W85 S89 T93 F94 | C8-W91 HydrophobicContact CB-CZ2 4.49Å; C8-W91 VanDerWaalsContact SG-CE2 3.52Å; C8-W91 WeakPolarHBondContact SG-CZ2 3.25Å; P9-W91 HydrophobicContact CG-CE3 4.21Å; P9-W91 HydrophobicContact CG-CZ3 4.08Å; C10-W91 HydrophobicContact CB-CH2 4.04Å; I51-W91 HydrophobicContact CD1-CH2 4.37Å; W85-W91 AromaticContact CD1-CH2 3.75Å; W85-W91 AromaticContact CD1-CZ2 3.95Å; W85-W91 AromaticContact CZ2-CD2 3.86Å; W85-W91 HydrophobicContact CZ2-CD2 3.86Å; W85-W91 AromaticContact CZ2-CE3 3.94Å; W85-W91 HydrophobicContact CZ2-CE3 3.94Å; W85-W91 HydrophobicContact CZ2-CG 4.2Å; W85-W91 HydrophobicContact CZ2-CZ3 4.34Å; W85-W91 AromaticContact NE1-CE2 3.6Å; W85-W91 AromaticContact NE1-CH2 3.17Å; W85-W91 AromaticContact NE1-CZ2 3.13Å; W85-W91 AromaticContact NE1-CZ3 3.62Å; S89-W91 PolarHBondContact O-N 2.77Å; S89-W91 VanDerWaalsContact O-N 3.16Å; W91-T93 PolarHBondContact O-N 3.35Å; W91-F94 HydrophobicContact CE3-CB 4.17Å; W91-F94 HydrophobicContact CE3-CD2 4.3Å; W91-F94 HydrophobicContact CE3-CG 4.09Å; W91-F94 HydrophobicContact CZ3-CD1 4.4Å; W91-F94 HydrophobicContact CZ3-CD2 4.01Å; W91-F94 HydrophobicContact CZ3-CE2 4.19Å; W91-F94 HydrophobicContact CZ3-CG 4.12Å; W91-F94 HydrophobicContact CZ3-CZ 4.46Å; W91-F94 WeakPolarHBondContact O-CB 3.38Å; W91-F94 PolarHBondContact O-N 3.37Å; W91-F94 VanDerWaalsContact O-N 3.13Å |
| 92 | S | 91.7 | Very high | 92.4 | Very high | 86 Ų | 86 | 70 Ų | 70 | 60% | 0.601 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -61.5 | -24.4 | 171.8 | 87.1 | 0 | 0 | 0 | 0 | 112.6 | D90 P95 | D90-S92 PolarHBondContact O-N 3.32Å; D90-S92 VanDerWaalsContact O-N 3.1Å; D90-S92 VanDerWaalsContact OD1-CB 3.3Å; D90-S92 WeakPolarHBondContact OD1-CB 3.45Å; D90-S92 PolarHBondContact OD1-N 3.35Å; D90-S92 PolarHBondContact OD1-OG 3.32Å; D90-S92 PolarHBondContact OD2-OG 3.03Å; S92-P95 WeakPolarHBondContact O-CD 3.41Å |
| 93 | T | 93.4 | Very high | 92.4 | Very high | 66 Ų | 66 | 66.3 Ų | 66.3 | 41% | 0.405 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -88.2 | -10.5 | 178.8 | 71.7 | 0 | 0 | 0 | 0 | 113.6 | D90 W91 P95 E96 W97 | D90-T93 HydrophobicContact CB-CG2 4.27Å; D90-T93 WeakPolarHBondContact O-CB 3.43Å; D90-T93 PolarHBondContact O-N 2.92Å; D90-T93 PolarHBondContact O-OG1 3.35Å; W91-T93 PolarHBondContact O-N 3.35Å; T93-P95 VanDerWaalsContact C-N 3.34Å; T93-E96 PolarHBondContact O-N 3.16Å; T93-E96 VanDerWaalsContact O-N 3.11Å; T93-W97 PolarHBondContact O-N 2.8Å |
| 94 | F | 91.4 | Very high | 92.4 | Very high | 46 Ų | 46 | 63.2 Ų | 63.2 | 20% | 0.202 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -54.2 | -39.9 | -178.7 | -172.6 | -111.2 | 0 | 0 | 0 | 113.9 | I51 W85 W91 E96 W97 V98 | I51-F94 HydrophobicContact CD1-CE2 3.94Å; I51-F94 HydrophobicContact CD1-CZ 4.19Å; I51-F94 HydrophobicContact CG2-CE2 4.43Å; I51-F94 HydrophobicContact CG2-CZ 4.29Å; W85-F94 AromaticContact CD2-CD2 3.52Å; W85-F94 HydrophobicContact CD2-CD2 3.52Å; W85-F94 AromaticContact CD2-CE2 3.97Å; W85-F94 HydrophobicContact CD2-CE2 3.97Å; W85-F94 AromaticContact CE2-CD2 3.64Å; W85-F94 AromaticContact CE3-CD2 3.62Å; W85-F94 HydrophobicContact CE3-CD2 3.62Å; W85-F94 HydrophobicContact CE3-CE2 4.29Å; W85-F94 HydrophobicContact CG-CD2 4.12Å; W85-F94 HydrophobicContact CG-CE2 4.07Å; W85-F94 HydrophobicContact CH2-CB 3.63Å; W85-F94 AromaticContact CH2-CD2 3.93Å; W85-F94 HydrophobicContact CH2-CD2 3.93Å; W85-F94 HydrophobicContact CH2-CG 4.29Å; W85-F94 HydrophobicContact CZ2-CB 3.95Å; W85-F94 AromaticContact CZ2-CD2 3.86Å; W85-F94 HydrophobicContact CZ2-CD2 3.86Å; W85-F94 HydrophobicContact CZ2-CG 4.34Å; W85-F94 HydrophobicContact CZ3-CB 4.05Å; W85-F94 AromaticContact CZ3-CD2 3.81Å; W85-F94 HydrophobicContact CZ3-CD2 3.81Å; W85-F94 HydrophobicContact CZ3-CG 4.45Å; W91-F94 HydrophobicContact CE3-CB 4.17Å; W91-F94 HydrophobicContact CE3-CD2 4.3Å; W91-F94 HydrophobicContact CE3-CG 4.09Å; W91-F94 HydrophobicContact CZ3-CD1 4.4Å; W91-F94 HydrophobicContact CZ3-CD2 4.01Å; W91-F94 HydrophobicContact CZ3-CE2 4.19Å; W91-F94 HydrophobicContact CZ3-CG 4.12Å; W91-F94 HydrophobicContact CZ3-CZ 4.46Å; W91-F94 WeakPolarHBondContact O-CB 3.38Å; W91-F94 PolarHBondContact O-N 3.37Å; W91-F94 VanDerWaalsContact O-N 3.13Å; F94-E96 VanDerWaalsContact C-N 3.32Å; F94-E96 PolarHBondContact O-N 3.1Å; F94-W97 HydrophobicContact CD2-CE3 4.13Å; F94-W97 AromaticContact CE2-CE3 3.74Å; F94-W97 HydrophobicContact CE2-CE3 3.74Å; F94-W97 AromaticContact CE2-CZ3 3.98Å; F94-W97 HydrophobicContact CE2-CZ3 3.98Å; F94-W97 HydrophobicContact CZ-CE3 4.46Å; F94-W97 HydrophobicContact CZ-CZ3 4.48Å; F94-W97 WeakPolarHBondContact O-CB 3.4Å; F94-W97 PolarHBondContact O-N 3.42Å; F94-V98 HydrophobicContact CD1-CG2 3.93Å; F94-V98 HydrophobicContact CD2-CG2 4.33Å; F94-V98 HydrophobicContact CE1-CG2 3.51Å; F94-V98 HydrophobicContact CE2-CG2 3.96Å; F94-V98 HydrophobicContact CG-CG2 4.32Å; F94-V98 HydrophobicContact CZ-CG2 3.53Å; F94-V98 WeakPolarHBondContact O-CG2 3.04Å; F94-V98 PolarHBondContact O-N 2.84Å |
| 95 | P | 91.8 | Very high | 92.4 | Very high | 75 Ų | 75 | 67.8 Ų | 67.8 | 49% | 0.487 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.7 | -38.9 | 177.4 | -26 | 36.6 | 0 | 0 | 0 | 113.8 | S92 T93 V98 K99 | S92-P95 WeakPolarHBondContact O-CD 3.41Å; T93-P95 VanDerWaalsContact C-N 3.34Å; P95-V98 PolarHBondContact O-N 3.49Å; P95-K99 WeakPolarHBondContact O-CG 3.19Å; P95-K99 PolarHBondContact O-N 3.12Å; P95-K99 VanDerWaalsContact O-N 3.1Å |
| 96 | E | 93 | Very high | 92.5 | Very high | 113 Ų | 113 | 67.4 Ų | 67.4 | 53% | 0.528 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.7 | -37.5 | 176.6 | -67.9 | -55.8 | 129.4 | 0 | 0 | 111.7 | T93 F94 V98 K99 T100 | T93-E96 PolarHBondContact O-N 3.16Å; T93-E96 VanDerWaalsContact O-N 3.11Å; F94-E96 VanDerWaalsContact C-N 3.32Å; F94-E96 PolarHBondContact O-N 3.1Å; E96-V98 VanDerWaalsContact C-N 3.34Å; E96-V98 PolarHBondContact O-N 2.86Å; E96-K99 PolarHBondContact O-N 3.36Å; E96-K99 IonicContact OE1-NZ 3.12Å; E96-K99 PolarHBondContact OE1-NZ 2.9Å; E96-K99 IonicContact OE2-NZ 3.76Å; E96-T100 PolarHBondContact O-N 3.18Å; E96-T100 PolarHBondContact O-OG1 3.26Å |
| 97 | W | 94.5 | Very high | 92.8 | Very high | 23 Ų | 23 | 65.3 Ų | 65.3 | 9% | 0.087 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 173.2 | -178.1 | 96.7 | 0 | 0 | 0 | 111.7 | I51 F79 E83 W85 T93 F94 T100 R101 | I51-W97 HydrophobicContact CB-CH2 3.63Å; I51-W97 HydrophobicContact CB-CZ2 4.48Å; I51-W97 HydrophobicContact CB-CZ3 3.97Å; I51-W97 HydrophobicContact CG2-CH2 3.81Å; I51-W97 HydrophobicContact CG2-CZ3 3.73Å; F79-W97 HydrophobicContact CD2-CZ2 4.29Å; F79-W97 HydrophobicContact CE1-CH2 4.29Å; F79-W97 AromaticContact CE2-CH2 3.79Å; F79-W97 HydrophobicContact CE2-CH2 3.79Å; F79-W97 AromaticContact CE2-CZ2 3.58Å; F79-W97 HydrophobicContact CE2-CZ2 3.58Å; F79-W97 AromaticContact CZ-CH2 3.5Å; F79-W97 HydrophobicContact CZ-CH2 3.5Å; F79-W97 AromaticContact CZ-CZ2 3.8Å; F79-W97 HydrophobicContact CZ-CZ2 3.8Å; E83-W97 PolarHBondContact O-NE1 2.93Å; E83-W97 VanDerWaalsContact O-NE1 3.15Å; W85-W97 HydrophobicContact CB-CD2 4.33Å; W85-W97 HydrophobicContact CB-CH2 4.2Å; W85-W97 HydrophobicContact CB-CZ2 3.84Å; W85-W97 HydrophobicContact CE3-CB 3.89Å; W85-W97 AromaticContact CE3-CD1 3.78Å; W85-W97 AromaticContact CE3-CD2 3.88Å; W85-W97 HydrophobicContact CE3-CD2 3.88Å; W85-W97 HydrophobicContact CE3-CE3 4.47Å; W85-W97 AromaticContact CE3-CG 3.57Å; W85-W97 HydrophobicContact CE3-CG 3.57Å; W85-W97 HydrophobicContact CZ3-CB 3.81Å; W85-W97 HydrophobicContact CZ3-CG 4.01Å; W85-W97 VanDerWaalsContact N-CZ2 3.27Å; T93-W97 PolarHBondContact O-N 2.8Å; F94-W97 HydrophobicContact CD2-CE3 4.13Å; F94-W97 AromaticContact CE2-CE3 3.74Å; F94-W97 HydrophobicContact CE2-CE3 3.74Å; F94-W97 AromaticContact CE2-CZ3 3.98Å; F94-W97 HydrophobicContact CE2-CZ3 3.98Å; F94-W97 HydrophobicContact CZ-CE3 4.46Å; F94-W97 HydrophobicContact CZ-CZ3 4.48Å; F94-W97 WeakPolarHBondContact O-CB 3.4Å; F94-W97 PolarHBondContact O-N 3.42Å; W97-T100 PolarHBondContact O-N 3.28Å; W97-T100 PolarHBondContact O-OG1 2.88Å; W97-R101 VanDerWaalsContact NE1-CZ 3.33Å; W97-R101 PolarHBondContact O-N 3.49Å |
| 98 | V | 91.8 | Very high | 93.4 | Very high | 48 Ų | 48 | 71.4 Ų | 71.4 | 29% | 0.291 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 177.7 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | F94 P95 E96 T100 R101 N102 | F94-V98 HydrophobicContact CD1-CG2 3.93Å; F94-V98 HydrophobicContact CD2-CG2 4.33Å; F94-V98 HydrophobicContact CE1-CG2 3.51Å; F94-V98 HydrophobicContact CE2-CG2 3.96Å; F94-V98 HydrophobicContact CG-CG2 4.32Å; F94-V98 HydrophobicContact CZ-CG2 3.53Å; F94-V98 WeakPolarHBondContact O-CG2 3.04Å; F94-V98 PolarHBondContact O-N 2.84Å; P95-V98 PolarHBondContact O-N 3.49Å; E96-V98 VanDerWaalsContact C-N 3.34Å; E96-V98 PolarHBondContact O-N 2.86Å; V98-T100 VanDerWaalsContact C-N 3.27Å; V98-T100 PolarHBondContact O-N 3.45Å; V98-R101 CarbonylContact O-C 3.59Å; V98-R101 PolarHBondContact O-N 3.46Å; V98-R101 VanDerWaalsContact O-N 3.12Å; V98-N102 PolarHBondContact O-N 2.88Å |
| 99 | K | 91.8 | Very high | 93.8 | Very high | 133 Ų | 133 | 67.3 Ų | 67.3 | 58% | 0.578 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58.1 | -39.2 | 178.9 | -79.2 | 174 | -175.2 | 174.1 | 0 | 112.7 | P95 E96 R101 | P95-K99 WeakPolarHBondContact O-CG 3.19Å; P95-K99 PolarHBondContact O-N 3.12Å; P95-K99 VanDerWaalsContact O-N 3.1Å; E96-K99 PolarHBondContact O-N 3.36Å; E96-K99 IonicContact OE1-NZ 3.12Å; E96-K99 PolarHBondContact OE1-NZ 2.9Å; E96-K99 IonicContact OE2-NZ 3.76Å; K99-R101 VanDerWaalsContact C-N 3.31Å |
| 100 | T | 92.9 | Very high | 94.2 | Very high | 79 Ų | 79 | 65.1 Ų | 65.1 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -81.2 | -11.5 | -179.1 | 51.5 | 0 | 0 | 0 | 0 | 113.4 | E96 W97 V98 | E96-T100 PolarHBondContact O-N 3.18Å; E96-T100 PolarHBondContact O-OG1 3.26Å; W97-T100 PolarHBondContact O-N 3.28Å; W97-T100 PolarHBondContact O-OG1 2.88Å; V98-T100 VanDerWaalsContact C-N 3.27Å; V98-T100 PolarHBondContact O-N 3.45Å |
| 101 | R | 95.1 | Very high | 94.5 | Very high | 31 Ų | 31 | 63.4 Ų | 63.4 | 12% | 0.117 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -130 | 58.5 | -179.8 | -65.2 | 159.9 | -176.3 | 76.9 | -8.5 | 109.2 | F79 E83 W97 V98 K99 A103 W133 | F79-R101 HydrophobicContact CD1-CB 3.97Å; F79-R101 HydrophobicContact CD1-CG 3.88Å; F79-R101 HydrophobicContact CE1-CB 3.98Å; F79-R101 HydrophobicContact CE1-CG 4.27Å; F79-R101 HydrophobicContact CG-CG 4.18Å; E83-R101 PolarHBondContact O-NE 3.44Å; E83-R101 PolarHBondContact O-NH2 3.32Å; W97-R101 VanDerWaalsContact NE1-CZ 3.33Å; W97-R101 PolarHBondContact O-N 3.49Å; V98-R101 CarbonylContact O-C 3.59Å; V98-R101 PolarHBondContact O-N 3.46Å; V98-R101 VanDerWaalsContact O-N 3.12Å; K99-R101 VanDerWaalsContact C-N 3.31Å; R101-A103 PolarHBondContact O-N 2.92Å; R101-W133 VanDerWaalsContact O-CE2 3.31Å; R101-W133 WeakPolarHBondContact O-CZ2 3.39Å; R101-W133 PolarHBondContact O-NE1 3.16Å |
| 102 | N | 94.8 | Very high | 95 | Very high | 52 Ų | 52 | 60.6 Ų | 60.6 | 28% | 0.278 | 31% | 0.312 | S | S | . | . | trans | -76.2 | 119.7 | -176.6 | -174.4 | -15.4 | 0 | 0 | 0 | 111.1 | V98 Q104 Q105 | V98-N102 PolarHBondContact O-N 2.88Å; N102-Q104 PolarHBondContact O-N 3.48Å; N102-Q104 WeakPolarHBondContact OD1-CB 3.1Å; N102-Q104 PolarHBondContact OD1-N 3.15Å; N102-Q105 HydrophobicContact CB-CB 4.19Å; N102-Q105 HydrophobicContact CB-CG 4.08Å; N102-Q105 PolarHBondContact O-N 3.39Å | ||
| 103 | A | 96.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 56.5 Ų | 56.5 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R101 W133 T136 A137 | R101-A103 PolarHBondContact O-N 2.92Å; A103-W133 HydrophobicContact CB-CD2 3.95Å; A103-W133 HydrophobicContact CB-CG 4.32Å; A103-W133 HydrophobicContact CB-CH2 4.45Å; A103-W133 HydrophobicContact CB-CZ2 3.87Å; A103-T136 HydrophobicContact CB-CG2 3.82Å; A103-A137 HydrophobicContact CB-CB 4.11Å |
| 104 | Q | 94.9 | Very high | 95.6 | Very high | 78 Ų | 78 | 53.7 Ų | 53.7 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -0.3 | 177.9 | -59.8 | 176.2 | -39.5 | 0 | 0 | 113 | N102 H140 | N102-Q104 PolarHBondContact O-N 3.48Å; N102-Q104 WeakPolarHBondContact OD1-CB 3.1Å; N102-Q104 PolarHBondContact OD1-N 3.15Å; Q104-H140 HydrophobicContact CG-CB 4.28Å; Q104-H140 PolarHBondContact O-CE1 2.85Å; Q104-H140 PolarHBondContact O-NE2 3.47Å |
| 105 | Q | 95.9 | Very high | 95.9 | Very high | 140 Ų | 140 | 56.1 Ų | 56.1 | 65% | 0.654 | 28% | 0.276 | S | S | * | . | trans | -120.2 | 44.3 | -177.7 | -64.4 | -175.9 | -15.7 | 0 | 0 | 111.8 | N102 | N102-Q105 HydrophobicContact CB-CB 4.19Å; N102-Q105 HydrophobicContact CB-CG 4.08Å; N102-Q105 PolarHBondContact O-N 3.39Å | ||
| 106 | I | 97.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | trans | -109.8 | 10.5 | -177.1 | 63 | 166.2 | 0 | 0 | 0 | 113.5 | I48 F78 R108 E109 I110 W133 A137 L141 | I48-I106 HydrophobicContact CD1-CD1 4.37Å; F78-I106 HydrophobicContact CB-CG2 4.49Å; F78-I106 HydrophobicContact CD1-CB 3.86Å; F78-I106 HydrophobicContact CD1-CD1 4.25Å; F78-I106 HydrophobicContact CD1-CG2 4.02Å; F78-I106 HydrophobicContact CE1-CB 4.19Å; F78-I106 HydrophobicContact CE1-CD1 4.04Å; I106-R108 VanDerWaalsContact C-N 3.26Å; I106-R108 PolarHBondContact O-N 3.24Å; I106-E109 PolarHBondContact O-N 3.02Å; I106-I110 HydrophobicContact CD1-CD1 4.22Å; I106-I110 HydrophobicContact CD1-CG1 3.82Å; I106-I110 HydrophobicContact CG1-CG1 4Å; I106-I110 WeakPolarHBondContact O-CB 3.29Å; I106-I110 WeakPolarHBondContact O-CG1 3.21Å; I106-I110 PolarHBondContact O-N 3.06Å; I106-W133 HydrophobicContact CG2-CH2 3.7Å; I106-W133 HydrophobicContact CG2-CZ2 4.27Å; I106-A137 HydrophobicContact CD1-CB 3.67Å; I106-L141 HydrophobicContact CD1-CD1 4.04Å; I106-L141 HydrophobicContact CD1-CD2 4.25Å; I106-L141 HydrophobicContact CD1-CG 4.26Å; I106-L141 HydrophobicContact CG1-CD2 4.42Å | ||
| 107 | D | 97.8 | Very high | 96.5 | Very high | 39 Ų | 39 | 48.9 Ų | 48.9 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -32.8 | -169.2 | -61.1 | -61.8 | 0 | 0 | 0 | 112.9 | S111 H140 K144 Y145 | D107-S111 WeakPolarHBondContact O-CB 3.26Å; D107-S111 PolarHBondContact O-N 3.28Å; D107-S111 PolarHBondContact O-OG 2.65Å; D107-H140 IonicContact OD1-CD2 3.94Å; D107-H140 IonicContact OD1-CE1 3.51Å; D107-H140 IonicContact OD1-NE2 2.69Å; D107-H140 PolarHBondContact OD1-NE2 3.12Å; D107-H140 IonicContact OD2-NE2 2.58Å; D107-K144 WeakPolarHBondContact OD1-CD 3.35Å; D107-K144 WeakPolarHBondContact OD1-CE 3.13Å; D107-K144 IonicContact OD1-NZ 3.03Å; D107-K144 PolarHBondContact OD1-NZ 2.66Å; D107-K144 IonicContact OD2-NZ 3.33Å; D107-K144 PolarHBondContact OD2-NZ 2.83Å; D107-Y145 WeakPolarHBondContact CB-OH 3.43Å; D107-Y145 WeakPolarHBondContact OD1-CE2 3.38Å; D107-Y145 PolarHBondContact OD1-OH 3.29Å; D107-Y145 VanDerWaalsContact OD1-OH 3.07Å |
| 108 | R | 97.9 | Very high | 96.6 | Very high | 171 Ų | 171 | 52.7 Ų | 52.7 | 65% | 0.645 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -66.4 | -47.5 | 177.5 | -179.5 | -173 | 174.2 | -175 | -4.1 | 110.3 | H29 I106 S111 A112 | H29-R108 PolarHBondContact CE1-NE 3.3Å; I106-R108 VanDerWaalsContact C-N 3.26Å; I106-R108 PolarHBondContact O-N 3.24Å; R108-S111 PolarHBondContact O-N 2.96Å; R108-A112 PolarHBondContact O-N 3.24Å |
| 109 | E | 98.4 | Very high | 96.8 | Very high | 16 Ų | 16 | 55.5 Ų | 55.5 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 179.4 | -68.7 | 62.3 | -130.3 | 0 | 0 | 110.2 | H29 I30 F78 V80 I106 S111 A112 V113 | H29-E109 IonicContact CD2-OE1 3.66Å; H29-E109 IonicContact CE1-OE1 3.75Å; H29-E109 IonicContact NE2-OE1 2.75Å; H29-E109 PolarHBondContact NE2-OE1 3.31Å; I30-E109 HydrophobicContact CD1-CB 4.13Å; I30-E109 HydrophobicContact CD1-CG 4.4Å; I30-E109 HydrophobicContact CG2-CG 3.8Å; F78-E109 HydrophobicContact CD1-CB 3.72Å; F78-E109 HydrophobicContact CD1-CG 4.38Å; F78-E109 HydrophobicContact CE1-CB 3.82Å; V80-E109 HydrophobicContact CG2-CG 3.88Å; I106-E109 PolarHBondContact O-N 3.02Å; E109-S111 VanDerWaalsContact C-N 3.32Å; E109-S111 PolarHBondContact O-N 3.1Å; E109-A112 PolarHBondContact O-N 3.24Å; E109-V113 VanDerWaalsContact O-CG2 3.27Å; E109-V113 WeakPolarHBondContact O-CG2 3.36Å; E109-V113 PolarHBondContact O-N 2.93Å |
| 110 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 175.4 | -72.8 | -68 | 0 | 0 | 0 | 111.8 | I46 F78 I106 A112 V113 L114 L141 Y145 F148 | I46-I110 HydrophobicContact CD1-CD1 4.26Å; F78-I110 HydrophobicContact CE1-CD1 3.63Å; F78-I110 HydrophobicContact CE1-CG1 3.82Å; F78-I110 HydrophobicContact CZ-CD1 3.49Å; F78-I110 VanDerWaalsContact CZ-CD1 3.49Å; F78-I110 HydrophobicContact CZ-CG1 4.22Å; I106-I110 HydrophobicContact CD1-CD1 4.22Å; I106-I110 HydrophobicContact CD1-CG1 3.82Å; I106-I110 HydrophobicContact CG1-CG1 4Å; I106-I110 WeakPolarHBondContact O-CB 3.29Å; I106-I110 WeakPolarHBondContact O-CG1 3.21Å; I106-I110 PolarHBondContact O-N 3.06Å; I110-A112 VanDerWaalsContact C-N 3.33Å; I110-A112 PolarHBondContact O-N 3.44Å; I110-V113 PolarHBondContact O-N 3.13Å; I110-L114 HydrophobicContact CG2-CD1 3.56Å; I110-L114 HydrophobicContact CG2-CG 4.13Å; I110-L114 WeakPolarHBondContact O-CB 3.46Å; I110-L114 VanDerWaalsContact O-CG 3.25Å; I110-L114 WeakPolarHBondContact O-CG 3.45Å; I110-L114 PolarHBondContact O-N 3.03Å; I110-L141 HydrophobicContact CB-CD2 4.41Å; I110-L141 HydrophobicContact CD1-CD1 3.56Å; I110-L141 HydrophobicContact CD1-CD2 4.29Å; I110-L141 HydrophobicContact CG1-CD1 3.98Å; I110-L141 HydrophobicContact CG1-CD2 3.78Å; I110-L141 HydrophobicContact CG2-CD2 4.17Å; I110-Y145 HydrophobicContact CG2-CE1 4.42Å; I110-F148 HydrophobicContact CG2-CZ 4.12Å |
| 111 | S | 98.3 | Very high | 97 | Very high | 65 Ų | 65 | 51.6 Ų | 51.6 | 46% | 0.455 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61 | -42.8 | 177.2 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | D107 R108 E109 K115 | D107-S111 WeakPolarHBondContact O-CB 3.26Å; D107-S111 PolarHBondContact O-N 3.28Å; D107-S111 PolarHBondContact O-OG 2.65Å; R108-S111 PolarHBondContact O-N 2.96Å; E109-S111 VanDerWaalsContact C-N 3.32Å; E109-S111 PolarHBondContact O-N 3.1Å; S111-K115 WeakPolarHBondContact O-CB 3.49Å; S111-K115 PolarHBondContact O-N 3.07Å; S111-K115 VanDerWaalsContact O-N 3.11Å |
| 112 | A | 98.6 | Very high | 97 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I27 E28 R108 E109 I110 K115 Y116 | I27-A112 HydrophobicContact CG2-CB 4.27Å; E28-A112 HydrophobicContact CG-CB 4.48Å; R108-A112 PolarHBondContact O-N 3.24Å; E109-A112 PolarHBondContact O-N 3.24Å; I110-A112 VanDerWaalsContact C-N 3.33Å; I110-A112 PolarHBondContact O-N 3.44Å; A112-K115 PolarHBondContact O-N 3.22Å; A112-Y116 WeakPolarHBondContact O-CB 3.44Å; A112-Y116 PolarHBondContact O-N 3.41Å |
| 113 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64 | -46.6 | 178.2 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | I30 I46 I74 P76 E109 I110 K115 Y116 L117 | I30-V113 HydrophobicContact CD1-CG2 3.8Å; I46-V113 HydrophobicContact CD1-CB 4.49Å; I46-V113 HydrophobicContact CD1-CG1 3.58Å; I46-V113 HydrophobicContact CG1-CG1 3.81Å; I46-V113 HydrophobicContact CG2-CG1 4.43Å; I74-V113 HydrophobicContact CD1-CG1 4.09Å; I74-V113 HydrophobicContact CG2-CG1 3.97Å; P76-V113 HydrophobicContact CB-CG2 3.72Å; P76-V113 HydrophobicContact CG-CB 4.47Å; P76-V113 HydrophobicContact CG-CG1 4.13Å; P76-V113 HydrophobicContact CG-CG2 3.51Å; E109-V113 VanDerWaalsContact O-CG2 3.27Å; E109-V113 WeakPolarHBondContact O-CG2 3.36Å; E109-V113 PolarHBondContact O-N 2.93Å; I110-V113 PolarHBondContact O-N 3.13Å; V113-K115 VanDerWaalsContact C-N 3.32Å; V113-K115 PolarHBondContact O-N 3.21Å; V113-Y116 PolarHBondContact O-N 2.83Å; V113-L117 HydrophobicContact CG1-CD1 4.07Å; V113-L117 HydrophobicContact CG1-CG 4.31Å; V113-L117 WeakPolarHBondContact O-CB 3.37Å; V113-L117 WeakPolarHBondContact O-CG 3.5Å; V113-L117 PolarHBondContact O-N 3.14Å |
| 114 | L | 98.5 | Very high | 97.1 | Very high | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 178.5 | -73.3 | 165.4 | 0 | 0 | 0 | 111.7 | I46 I110 L117 K118 I126 E147 F148 | I46-L114 HydrophobicContact CD1-CD2 4.42Å; I110-L114 HydrophobicContact CG2-CD1 3.56Å; I110-L114 HydrophobicContact CG2-CG 4.13Å; I110-L114 WeakPolarHBondContact O-CB 3.46Å; I110-L114 VanDerWaalsContact O-CG 3.25Å; I110-L114 WeakPolarHBondContact O-CG 3.45Å; I110-L114 PolarHBondContact O-N 3.03Å; L114-L117 PolarHBondContact O-N 2.84Å; L114-K118 WeakPolarHBondContact O-CB 3.42Å; L114-K118 VanDerWaalsContact O-CG 3.3Å; L114-K118 WeakPolarHBondContact O-CG 3.23Å; L114-K118 PolarHBondContact O-N 2.84Å; L114-I126 HydrophobicContact CD2-CD1 3.64Å; L114-I126 HydrophobicContact CD2-CG2 4.13Å; L114-E147 VanDerWaalsContact CD1-CD 3.44Å; L114-E147 HydrophobicContact CD1-CG 4.42Å; L114-E147 WeakPolarHBondContact CD1-OE1 3.44Å; L114-E147 HydrophobicContact CD2-CG 4.41Å; L114-F148 HydrophobicContact CD1-CZ 4.4Å; L114-F148 HydrophobicContact CD2-CE1 3.85Å; L114-F148 HydrophobicContact CD2-CZ 4.13Å |
| 115 | K | 98.4 | Very high | 97.3 | Very high | 97 Ų | 97 | 61.2 Ų | 61.2 | 42% | 0.422 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 174.6 | 179.2 | -177.4 | 168.1 | -164.1 | 0 | 111.1 | E28 S111 A112 V113 K118 Q119 | E28-K115 IonicContact OE1-NZ 2.77Å; E28-K115 PolarHBondContact OE1-NZ 3.47Å; S111-K115 WeakPolarHBondContact O-CB 3.49Å; S111-K115 PolarHBondContact O-N 3.07Å; S111-K115 VanDerWaalsContact O-N 3.11Å; A112-K115 PolarHBondContact O-N 3.22Å; V113-K115 VanDerWaalsContact C-N 3.32Å; V113-K115 PolarHBondContact O-N 3.21Å; K115-K118 PolarHBondContact O-N 2.78Å; K115-Q119 HydrophobicContact CG-CG 4.46Å; K115-Q119 WeakPolarHBondContact O-CB 3.4Å; K115-Q119 WeakPolarHBondContact O-CG 3.45Å; K115-Q119 PolarHBondContact O-N 2.78Å |
| 116 | Y | 98.3 | Very high | 97.4 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 15% | 0.145 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59 | -48.5 | 176.3 | 177.8 | -91.5 | 0 | 0 | 0 | 111.8 | I27 V34 I74 A112 V113 K118 Q119 Q120 C121 | I27-Y116 HydrophobicContact CD1-CD1 3.66Å; I27-Y116 HydrophobicContact CD1-CD2 3.94Å; I27-Y116 HydrophobicContact CD1-CE1 4.05Å; I27-Y116 HydrophobicContact CD1-CE2 4.31Å; I27-Y116 HydrophobicContact CD1-CG 3.61Å; I27-Y116 HydrophobicContact CG1-CD1 4.38Å; I27-Y116 HydrophobicContact CG1-CD2 3.74Å; I27-Y116 HydrophobicContact CG1-CE2 4.06Å; I27-Y116 HydrophobicContact CG1-CG 3.92Å; I27-Y116 HydrophobicContact CG2-CD2 4.33Å; I27-Y116 HydrophobicContact CG2-CG 4.24Å; V34-Y116 HydrophobicContact CG2-CE1 4.1Å; I74-Y116 HydrophobicContact CD1-CD1 4.01Å; I74-Y116 HydrophobicContact CD1-CE1 4.26Å; A112-Y116 WeakPolarHBondContact O-CB 3.44Å; A112-Y116 PolarHBondContact O-N 3.41Å; V113-Y116 PolarHBondContact O-N 2.83Å; Y116-K118 PolarHBondContact O-N 3.25Å; Y116-Q119 PolarHBondContact O-N 3.1Å; Y116-Q120 HydrophobicContact CD2-CB 3.98Å; Y116-Q120 HydrophobicContact CD2-CG 3.68Å; Y116-Q120 HydrophobicContact CE2-CB 3.83Å; Y116-Q120 HydrophobicContact CE2-CG 3.83Å; Y116-Q120 HydrophobicContact CG-CB 4.39Å; Y116-Q120 HydrophobicContact CG-CG 4.35Å; Y116-Q120 WeakPolarHBondContact O-CA 3.26Å; Y116-Q120 VanDerWaalsContact O-CB 3.31Å; Y116-Q120 WeakPolarHBondContact O-CB 3.47Å; Y116-Q120 PolarHBondContact O-N 2.82Å; Y116-C121 VanDerWaalsContact CE1-SG 3.57Å; Y116-C121 PolarHBondContact O-N 3.24Å |
| 117 | L | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 179.7 | -74.4 | 179.5 | 0 | 0 | 0 | 112.4 | A44 I46 I74 V113 L114 C121 H122 A123 I126 | A44-L117 HydrophobicContact CB-CD1 4.08Å; A44-L117 HydrophobicContact CB-CD2 3.85Å; A44-L117 HydrophobicContact CB-CG 4.45Å; I46-L117 HydrophobicContact CD1-CD1 4.16Å; I46-L117 HydrophobicContact CG1-CD1 3.72Å; I74-L117 HydrophobicContact CB-CD2 4.37Å; I74-L117 HydrophobicContact CG2-CD1 3.96Å; I74-L117 HydrophobicContact CG2-CD2 3.9Å; I74-L117 HydrophobicContact CG2-CG 4.21Å; V113-L117 HydrophobicContact CG1-CD1 4.07Å; V113-L117 HydrophobicContact CG1-CG 4.31Å; V113-L117 WeakPolarHBondContact O-CB 3.37Å; V113-L117 WeakPolarHBondContact O-CG 3.5Å; V113-L117 PolarHBondContact O-N 3.14Å; L114-L117 PolarHBondContact O-N 2.84Å; L117-C121 HydrophobicContact CD2-CB 4.28Å; L117-C121 CarbonylContact O-C 3.16Å; L117-C121 VanDerWaalsContact O-C 3.3Å; L117-C121 WeakPolarHBondContact O-CA 3.39Å; L117-C121 VanDerWaalsContact O-CB 3.31Å; L117-C121 WeakPolarHBondContact O-CB 3.42Å; L117-C121 PolarHBondContact O-N 2.83Å; L117-H122 PolarHBondContact O-N 3Å; L117-H122 VanDerWaalsContact O-N 3.13Å; L117-A123 HydrophobicContact CB-CB 4.03Å; L117-A123 WeakPolarHBondContact O-CB 3.46Å; L117-A123 PolarHBondContact O-N 2.91Å; L117-I126 HydrophobicContact CB-CD1 4.01Å; L117-I126 HydrophobicContact CD1-CD1 4.1Å; L117-I126 HydrophobicContact CD1-CG1 4.43Å; L117-I126 HydrophobicContact CD1-CG2 3.91Å |
| 118 | K | 97.1 | Very high | 97.5 | Very high | 102 Ų | 102 | 52.8 Ų | 52.8 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.7 | -42.3 | 179.3 | -70.5 | 171.7 | -174.2 | 171.8 | 0 | 112.5 | L114 K115 Y116 H122 I126 E147 | L114-K118 WeakPolarHBondContact O-CB 3.42Å; L114-K118 VanDerWaalsContact O-CG 3.3Å; L114-K118 WeakPolarHBondContact O-CG 3.23Å; L114-K118 PolarHBondContact O-N 2.84Å; K115-K118 PolarHBondContact O-N 2.78Å; Y116-K118 PolarHBondContact O-N 3.25Å; K118-H122 WeakPolarHBondContact O-CA 3.13Å; K118-I126 HydrophobicContact CG-CD1 4.26Å; K118-E147 IonicContact NZ-OE2 2.66Å; K118-E147 PolarHBondContact NZ-OE2 3.41Å |
| 119 | Q | 96.7 | Very high | 97.6 | Very high | 107 Ų | 107 | 44.7 Ų | 44.7 | 50% | 0.5 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -87.3 | -41.6 | -171.7 | -66.4 | 179.7 | -8.6 | 0 | 0 | 113.4 | K115 Y116 | K115-Q119 HydrophobicContact CG-CG 4.46Å; K115-Q119 WeakPolarHBondContact O-CB 3.4Å; K115-Q119 WeakPolarHBondContact O-CG 3.45Å; K115-Q119 PolarHBondContact O-N 2.78Å; Y116-Q119 PolarHBondContact O-N 3.1Å |
| 120 | Q | 95.1 | Very high | 97.6 | Very high | 115 Ų | 115 | 43.9 Ų | 43.9 | 54% | 0.537 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -101 | -27.7 | -171.7 | -53.6 | -57.7 | -40.4 | 0 | 0 | 112.7 | Y116 | Y116-Q120 HydrophobicContact CD2-CB 3.98Å; Y116-Q120 HydrophobicContact CD2-CG 3.68Å; Y116-Q120 HydrophobicContact CE2-CB 3.83Å; Y116-Q120 HydrophobicContact CE2-CG 3.83Å; Y116-Q120 HydrophobicContact CG-CB 4.39Å; Y116-Q120 HydrophobicContact CG-CG 4.35Å; Y116-Q120 WeakPolarHBondContact O-CA 3.26Å; Y116-Q120 VanDerWaalsContact O-CB 3.31Å; Y116-Q120 WeakPolarHBondContact O-CB 3.47Å; Y116-Q120 PolarHBondContact O-N 2.82Å |
| 121 | C | 93.7 | Very high | 97.6 | Very high | 16 Ų | 16 | 43.9 Ų | 43.9 | 11% | 0.108 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -107.9 | 1.1 | 178 | -55.9 | 0 | 0 | 0 | 0 | 113.2 | T72 Y116 L117 A123 | T72-C121 HydrophobicContact CG2-CB 4.29Å; Y116-C121 VanDerWaalsContact CE1-SG 3.57Å; Y116-C121 PolarHBondContact O-N 3.24Å; L117-C121 HydrophobicContact CD2-CB 4.28Å; L117-C121 CarbonylContact O-C 3.16Å; L117-C121 VanDerWaalsContact O-C 3.3Å; L117-C121 WeakPolarHBondContact O-CA 3.39Å; L117-C121 VanDerWaalsContact O-CB 3.31Å; L117-C121 WeakPolarHBondContact O-CB 3.42Å; L117-C121 PolarHBondContact O-N 2.83Å; C121-A123 PolarHBondContact O-N 3.33Å |
| 122 | H | 94.7 | Very high | 97.5 | Very high | 129 Ų | 129 | 41.2 Ų | 41.2 | 60% | 0.597 | 19% | 0.192 | S | C | * | . | trans | 50.3 | 31.3 | -178 | -54.1 | -62.3 | 0 | 0 | 0 | 114.1 | L117 K118 Q124 | L117-H122 PolarHBondContact O-N 3Å; L117-H122 VanDerWaalsContact O-N 3.13Å; K118-H122 WeakPolarHBondContact O-CA 3.13Å; H122-Q124 PolarHBondContact O-N 2.83Å | ||
| 123 | A | 96.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 42 Ų | 42 | 7% | 0.066 | 19% | 0.194 | C | C | . | . | trans | -68.1 | 122.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G42 A44 L117 C121 I126 | G42-A123 CarbonylContact O-C 3.46Å; A44-A123 HydrophobicContact CB-CB 3.65Å; L117-A123 HydrophobicContact CB-CB 4.03Å; L117-A123 WeakPolarHBondContact O-CB 3.46Å; L117-A123 PolarHBondContact O-N 2.91Å; C121-A123 PolarHBondContact O-N 3.33Å; A123-I126 HydrophobicContact CB-CD1 4.31Å; A123-I126 HydrophobicContact CB-CG1 4.05Å | ||
| 124 | Q | 96.6 | Very high | 97.5 | Very high | 161 Ų | 161 | 42 Ų | 42 | 75% | 0.752 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -96.8 | -31 | 176.1 | -60.1 | -178.4 | -6.2 | 0 | 0 | 111.9 | G42 H122 | G42-Q124 PolarHBondContact O-N 2.66Å; H122-Q124 PolarHBondContact O-N 2.83Å |
| 125 | K | 97.9 | Very high | 97.5 | Very high | 69 Ų | 69 | 41.6 Ų | 41.6 | 30% | 0.3 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128.8 | 177.2 | -62.1 | -176.1 | -172 | -175.8 | 0 | 109 | G42 K43 A44 R149 M245 | G42-K125 PolarHBondContact O-N 3.17Å; K43-K125 WeakPolarHBondContact CA-O 3.48Å; A44-K125 PolarHBondContact N-O 3.2Å; K125-R149 HydrophobicContact CB-CG 4.05Å; K125-R149 HydrophobicContact CG-CG 4.29Å; K125-M245 VanDerWaalsContact C-CE 3.5Å; K125-M245 HydrophobicContact CB-CE 3.98Å; K125-M245 HydrophobicContact CB-SD 4.46Å; K125-M245 WeakPolarHBondContact CD-O 3.42Å; K125-M245 WeakPolarHBondContact CE-O 3.09Å; K125-M245 PolarHBondContact NZ-O 2.87Å; K125-M245 VanDerWaalsContact O-CE 3.26Å; K125-M245 WeakPolarHBondContact O-CE 3.31Å |
| 126 | I | 98.7 | Very high | 97.5 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 125.9 | -176.2 | -55 | 177.3 | 0 | 0 | 0 | 108.8 | A44 I46 L114 L117 K118 A123 F148 R149 M245 | A44-I126 CarbonylContact O-C 3.56Å; A44-I126 VanDerWaalsContact O-CA 3.31Å; A44-I126 WeakPolarHBondContact O-CA 3.17Å; I46-I126 HydrophobicContact CD1-CG2 4.14Å; I46-I126 HydrophobicContact CG1-CG2 4.14Å; L114-I126 HydrophobicContact CD2-CD1 3.64Å; L114-I126 HydrophobicContact CD2-CG2 4.13Å; L117-I126 HydrophobicContact CB-CD1 4.01Å; L117-I126 HydrophobicContact CD1-CD1 4.1Å; L117-I126 HydrophobicContact CD1-CG1 4.43Å; L117-I126 HydrophobicContact CD1-CG2 3.91Å; K118-I126 HydrophobicContact CG-CD1 4.26Å; A123-I126 HydrophobicContact CB-CD1 4.31Å; A123-I126 HydrophobicContact CB-CG1 4.05Å; I126-F148 HydrophobicContact CB-CD1 4.44Å; I126-F148 HydrophobicContact CG2-CD1 3.99Å; I126-F148 HydrophobicContact CG2-CE1 3.91Å; I126-F148 CarbonylContact O-C 3.55Å; I126-F148 WeakPolarHBondContact O-CA 3.36Å; I126-R149 PolarHBondContact O-N 3.36Å; I126-M245 VanDerWaalsContact C-SD 3.55Å |
| 127 | G | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 168.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | A44 V45 I46 A150 M245 | A44-G127 PolarHBondContact O-N 3.33Å; V45-G127 WeakPolarHBondContact CA-O 3.26Å; I46-G127 PolarHBondContact N-O 3.45Å; G127-A150 CarbonylContact C-O 3.57Å; G127-A150 VanDerWaalsContact CA-O 3.22Å; G127-A150 WeakPolarHBondContact CA-O 3.46Å; G127-M245 VanDerWaalsContact CA-SD 3.55Å; G127-M245 PolarHBondContact N-SD 2.65Å |
| 128 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 134.4 | 177.6 | 65.1 | 0 | 0 | 0 | 0 | 110.7 | I46 I48 V138 L141 M142 F148 A150 G151 V152 | I46-V128 HydrophobicContact CB-CG2 4.17Å; I46-V128 HydrophobicContact CG2-CG2 4.48Å; I46-V128 CarbonylContact O-C 3.53Å; I46-V128 WeakPolarHBondContact O-CA 3.34Å; I48-V128 HydrophobicContact CD1-CG2 3.64Å; I48-V128 HydrophobicContact CG1-CG2 3.96Å; V128-V138 HydrophobicContact CG1-CG1 4.15Å; V128-V138 HydrophobicContact CG1-CG2 4.27Å; V128-V138 HydrophobicContact CG2-CG2 3.89Å; V128-L141 HydrophobicContact CG2-CD1 4.12Å; V128-M142 HydrophobicContact CG1-CG 4.48Å; V128-M142 HydrophobicContact CG1-SD 3.9Å; V128-F148 HydrophobicContact CB-CD1 4.45Å; V128-F148 HydrophobicContact CB-CE1 4.48Å; V128-A150 PolarHBondContact N-O 3.33Å; V128-G151 CarbonylContact O-C 3.55Å; V128-G151 VanDerWaalsContact O-CA 3.28Å; V128-G151 WeakPolarHBondContact O-CA 3.44Å; V128-V152 PolarHBondContact O-N 3.26Å |
| 129 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.2 | 176 | 173.6 | 0 | 0 | 0 | 0 | 106.8 | V45 I46 V47 I48 I66 F131 V152 L237 L241 | V45-V129 HydrophobicContact CG1-CB 4.17Å; V45-V129 HydrophobicContact CG1-CG2 3.64Å; I46-V129 PolarHBondContact O-N 2.84Å; V47-V129 CarbonylContact C-O 3.54Å; V47-V129 VanDerWaalsContact CA-O 3.31Å; V47-V129 WeakPolarHBondContact CA-O 3.38Å; I48-V129 PolarHBondContact N-O 3.27Å; I66-V129 HydrophobicContact CD1-CB 4.44Å; I66-V129 HydrophobicContact CD1-CG1 4.31Å; I66-V129 HydrophobicContact CD1-CG2 4.2Å; V129-F131 HydrophobicContact CG1-CE1 4.4Å; V129-F131 HydrophobicContact CG1-CE2 4.09Å; V129-F131 HydrophobicContact CG1-CZ 3.84Å; V129-V152 WeakPolarHBondContact CA-O 3.28Å; V129-V152 HydrophobicContact CG1-CB 4.49Å; V129-V152 HydrophobicContact CG2-CB 4.07Å; V129-V152 HydrophobicContact CG2-CG2 4.21Å; V129-L237 HydrophobicContact CG1-CD1 3.62Å; V129-L237 HydrophobicContact CG1-CG 4.41Å; V129-L237 HydrophobicContact CG2-CD1 4.39Å; V129-L237 HydrophobicContact CG2-CD2 4.28Å; V129-L237 HydrophobicContact CG2-CG 4.32Å; V129-L241 HydrophobicContact CG2-CD1 4.15Å; V129-L241 HydrophobicContact CG2-CD2 4.35Å |
| 130 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 147.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I48 G134 V138 V152 V154 | I48-G130 WeakPolarHBondContact O-CA 3.3Å; G130-G134 VanDerWaalsContact C-C 3.5Å; G130-G134 WeakPolarHBondContact CA-O 3.46Å; G130-V138 VanDerWaalsContact N-CG2 3.31Å; G130-V152 PolarHBondContact N-O 2.9Å; G130-V154 WeakPolarHBondContact O-CB 3.37Å; G130-V154 PolarHBondContact O-N 3.36Å |
| 131 | F | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 127.6 | -171.7 | -58.9 | -72 | 0 | 0 | 0 | 110.1 | V47 I48 D50 M62 V129 W133 G134 V154 Y155 V215 H216 | V47-F131 HydrophobicContact CG1-CD2 4.43Å; V47-F131 HydrophobicContact CG1-CE2 3.83Å; I48-F131 PolarHBondContact O-N 3.32Å; D50-F131 VanDerWaalsContact CA-O 3.31Å; D50-F131 WeakPolarHBondContact CA-O 3.41Å; D50-F131 HydrophobicContact CB-CB 4.49Å; D50-F131 WeakPolarHBondContact CB-O 3.26Å; M62-F131 HydrophobicContact CB-CE2 3.92Å; M62-F131 HydrophobicContact CB-CZ 3.81Å; M62-F131 HydrophobicContact CE-CE1 4.23Å; M62-F131 HydrophobicContact CE-CZ 3.8Å; M62-F131 HydrophobicContact CG-CE1 4.46Å; M62-F131 HydrophobicContact CG-CE2 4.13Å; M62-F131 HydrophobicContact CG-CZ 3.74Å; V129-F131 HydrophobicContact CG1-CE1 4.4Å; V129-F131 HydrophobicContact CG1-CE2 4.09Å; V129-F131 HydrophobicContact CG1-CZ 3.84Å; F131-W133 PolarHBondContact O-N 3.49Å; F131-W133 VanDerWaalsContact O-N 3.08Å; F131-G134 WeakPolarHBondContact O-CA 3.41Å; F131-G134 PolarHBondContact O-N 3.24Å; F131-V154 WeakPolarHBondContact CA-O 3.47Å; F131-V154 HydrophobicContact CD1-CB 3.68Å; F131-V154 HydrophobicContact CD1-CG1 4.04Å; F131-V154 HydrophobicContact CD1-CG2 3.83Å; F131-V154 HydrophobicContact CE1-CB 4.16Å; F131-V154 HydrophobicContact CE1-CG1 4.37Å; F131-V154 HydrophobicContact CE1-CG2 3.82Å; F131-Y155 HydrophobicContact CB-CE2 3.87Å; F131-Y155 VanDerWaalsContact CB-OH 3.32Å; F131-Y155 WeakPolarHBondContact CB-OH 3.5Å; F131-Y155 AromaticContact CD1-CZ 3.93Å; F131-Y155 WeakPolarHBondContact CD1-OH 3.01Å; F131-Y155 WeakPolarHBondContact CG-OH 3.32Å; F131-V215 HydrophobicContact CE1-CG1 4.14Å; F131-H216 HydrophobicContact CE1-CB 4.48Å |
| 132 | C | 97 | Very high | 98 | Very high | 9 Ų | 9 | 22 Ų | 22 | 6% | 0.061 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -112 | 177.1 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | D50 G134 G135 T136 V154 Y155 G156 H212 | D50-C132 HydrophobicContact CB-CB 3.71Å; C132-G134 PolarHBondContact O-N 3.35Å; C132-G135 WeakPolarHBondContact O-CA 3.28Å; C132-G135 PolarHBondContact O-N 3.5Å; C132-T136 PolarHBondContact O-N 2.96Å; C132-T136 VanDerWaalsContact O-N 3.16Å; C132-V154 PolarHBondContact N-O 2.94Å; C132-Y155 VanDerWaalsContact CA-CD2 3.47Å; C132-Y155 WeakPolarHBondContact CA-O 3.49Å; C132-Y155 HydrophobicContact CB-CD2 3.68Å; C132-Y155 HydrophobicContact CB-CE2 3.66Å; C132-G156 WeakPolarHBondContact O-CA 3.41Å; C132-H212 WeakPolarHBondContact CB-NE2 3.44Å; C132-H212 PolarHBondContact SG-NE2 3.11Å |
| 133 | W | 97.9 | Very high | 98.2 | Very high | 18 Ų | 18 | 17.4 Ų | 17.4 | 7% | 0.068 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -49.9 | -42.6 | 169.5 | -175.6 | 94 | 0 | 0 | 0 | 112 | I48 I51 F78 F79 R101 A103 I106 F131 G135 T136 A137 | I48-W133 HydrophobicContact CG2-CE3 4.03Å; I48-W133 HydrophobicContact CG2-CZ3 3.72Å; I51-W133 HydrophobicContact CG2-CB 3.89Å; I51-W133 HydrophobicContact CG2-CG 4.46Å; F78-W133 HydrophobicContact CB-CH2 3.69Å; F78-W133 HydrophobicContact CB-CZ3 3.83Å; F78-W133 HydrophobicContact CG-CH2 4.42Å; F78-W133 HydrophobicContact CG-CZ3 4.34Å; F79-W133 HydrophobicContact CD1-CH2 4.41Å; F79-W133 HydrophobicContact CD1-CZ2 4.37Å; F79-W133 HydrophobicContact CE1-CD2 4.05Å; F79-W133 AromaticContact CE1-CE2 3.81Å; F79-W133 HydrophobicContact CE1-CE3 4.21Å; F79-W133 AromaticContact CE1-CH2 3.99Å; F79-W133 HydrophobicContact CE1-CH2 3.99Å; F79-W133 AromaticContact CE1-CZ2 3.79Å; F79-W133 HydrophobicContact CE1-CZ2 3.79Å; F79-W133 HydrophobicContact CE1-CZ3 4.2Å; F79-W133 HydrophobicContact CZ-CD2 4.48Å; R101-W133 VanDerWaalsContact O-CE2 3.31Å; R101-W133 WeakPolarHBondContact O-CZ2 3.39Å; R101-W133 PolarHBondContact O-NE1 3.16Å; A103-W133 HydrophobicContact CB-CD2 3.95Å; A103-W133 HydrophobicContact CB-CG 4.32Å; A103-W133 HydrophobicContact CB-CH2 4.45Å; A103-W133 HydrophobicContact CB-CZ2 3.87Å; I106-W133 HydrophobicContact CG2-CH2 3.7Å; I106-W133 HydrophobicContact CG2-CZ2 4.27Å; F131-W133 PolarHBondContact O-N 3.49Å; F131-W133 VanDerWaalsContact O-N 3.08Å; W133-G135 VanDerWaalsContact C-N 3.3Å; W133-G135 PolarHBondContact O-N 3.22Å; W133-T136 WeakPolarHBondContact O-CB 3.42Å; W133-T136 PolarHBondContact O-N 3.47Å; W133-A137 HydrophobicContact CZ3-CB 4.45Å; W133-A137 PolarHBondContact O-N 3.3Å |
| 134 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.8 | -27.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q49 G130 F131 C132 A137 V138 | Q49-G134 WeakPolarHBondContact O-CA 3.49Å; Q49-G134 PolarHBondContact O-N 3.05Å; Q49-G134 VanDerWaalsContact O-N 3.1Å; G130-G134 VanDerWaalsContact C-C 3.5Å; G130-G134 WeakPolarHBondContact CA-O 3.46Å; F131-G134 WeakPolarHBondContact O-CA 3.41Å; F131-G134 PolarHBondContact O-N 3.24Å; C132-G134 PolarHBondContact O-N 3.35Å; G134-A137 WeakPolarHBondContact O-CB 3.42Å; G134-A137 PolarHBondContact O-N 3.26Å; G134-V138 VanDerWaalsContact O-CG2 3.28Å; G134-V138 WeakPolarHBondContact O-CG2 3.14Å; G134-V138 PolarHBondContact O-N 3.13Å |
| 135 | G | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -69.5 | -36.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | C132 W133 V138 H139 S153 | C132-G135 WeakPolarHBondContact O-CA 3.28Å; C132-G135 PolarHBondContact O-N 3.5Å; W133-G135 VanDerWaalsContact C-N 3.3Å; W133-G135 PolarHBondContact O-N 3.22Å; G135-V138 PolarHBondContact O-N 3.03Å; G135-H139 PolarHBondContact O-N 3.1Å; G135-H139 VanDerWaalsContact O-N 3.13Å; G135-S153 VanDerWaalsContact C-OG 3.31Å; G135-S153 WeakPolarHBondContact CA-OG 3.19Å; G135-S153 PolarHBondContact O-OG 3.41Å |
| 136 | T | 98.2 | Very high | 98.1 | Very high | 23 Ų | 23 | 16.3 Ų | 16.3 | 14% | 0.141 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 169.3 | -61 | 0 | 0 | 0 | 0 | 110.9 | A103 C132 W133 H139 H140 I157 | A103-T136 HydrophobicContact CB-CG2 3.82Å; C132-T136 PolarHBondContact O-N 2.96Å; C132-T136 VanDerWaalsContact O-N 3.16Å; W133-T136 WeakPolarHBondContact O-CB 3.42Å; W133-T136 PolarHBondContact O-N 3.47Å; T136-H139 PolarHBondContact O-N 3.14Å; T136-H140 PolarHBondContact O-N 3.07Å; T136-I157 WeakPolarHBondContact CB-O 3.49Å; T136-I157 WeakPolarHBondContact CG2-O 3.42Å; T136-I157 PolarHBondContact OG1-N 3.3Å; T136-I157 PolarHBondContact OG1-O 2.89Å |
| 137 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | I48 A103 I106 W133 G134 H139 H140 L141 | I48-A137 HydrophobicContact CD1-CB 3.79Å; I48-A137 HydrophobicContact CG2-CB 4.1Å; A103-A137 HydrophobicContact CB-CB 4.11Å; I106-A137 HydrophobicContact CD1-CB 3.67Å; W133-A137 HydrophobicContact CZ3-CB 4.45Å; W133-A137 PolarHBondContact O-N 3.3Å; G134-A137 WeakPolarHBondContact O-CB 3.42Å; G134-A137 PolarHBondContact O-N 3.26Å; A137-H139 VanDerWaalsContact C-N 3.3Å; A137-H139 PolarHBondContact O-N 2.8Å; A137-H140 WeakPolarHBondContact O-CB 3.21Å; A137-H140 PolarHBondContact O-N 3.4Å; A137-L141 VanDerWaalsContact O-CG 3.25Å; A137-L141 WeakPolarHBondContact O-CG 3.18Å; A137-L141 PolarHBondContact O-N 3.1Å |
| 138 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -52.8 | -50.2 | 173.3 | 167.6 | 0 | 0 | 0 | 0 | 110.3 | I48 V128 G130 G134 G135 H140 L141 M142 | I48-V138 HydrophobicContact CD1-CG2 4.46Å; V128-V138 HydrophobicContact CG1-CG1 4.15Å; V128-V138 HydrophobicContact CG1-CG2 4.27Å; V128-V138 HydrophobicContact CG2-CG2 3.89Å; G130-V138 VanDerWaalsContact N-CG2 3.31Å; G134-V138 VanDerWaalsContact O-CG2 3.28Å; G134-V138 WeakPolarHBondContact O-CG2 3.14Å; G134-V138 PolarHBondContact O-N 3.13Å; G135-V138 PolarHBondContact O-N 3.03Å; V138-H140 PolarHBondContact O-N 3.29Å; V138-L141 PolarHBondContact O-N 2.67Å; V138-L141 VanDerWaalsContact O-N 3.1Å; V138-M142 HydrophobicContact CG1-CG 3.94Å; V138-M142 WeakPolarHBondContact O-CG 3.26Å; V138-M142 PolarHBondContact O-N 3.48Å |
| 139 | H | 98.4 | Very high | 97.9 | Very high | 8 Ų | 8 | 24.9 Ų | 24.9 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.6 | -46.8 | -178.9 | -174.6 | 75.3 | 0 | 0 | 0 | 112 | G135 T136 A137 L141 M142 V143 V158 I164 F173 | G135-H139 PolarHBondContact O-N 3.1Å; G135-H139 VanDerWaalsContact O-N 3.13Å; T136-H139 PolarHBondContact O-N 3.14Å; A137-H139 VanDerWaalsContact C-N 3.3Å; A137-H139 PolarHBondContact O-N 2.8Å; H139-L141 VanDerWaalsContact C-N 3.3Å; H139-L141 PolarHBondContact O-N 3.19Å; H139-M142 PolarHBondContact O-N 3.36Å; H139-V143 WeakPolarHBondContact O-CG2 3.36Å; H139-V143 PolarHBondContact O-N 2.77Å; H139-V143 VanDerWaalsContact O-N 3.14Å; H139-V158 HydrophobicContact CB-CG2 4.26Å; H139-V158 WeakPolarHBondContact NE2-CG1 3.29Å; H139-I164 PolarHBondContact CE1-O 3.47Å; H139-I164 PolarHBondContact NE2-O 3.27Å; H139-F173 AromaticContact ND1-CE1 3.64Å; H139-F173 AromaticContact ND1-CZ 3.73Å |
| 140 | H | 97.6 | Very high | 97.9 | Very high | 31 Ų | 31 | 24.9 Ų | 24.9 | 14% | 0.144 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -53.3 | -47 | 173 | 170 | 76.3 | 0 | 0 | 0 | 112.3 | Q104 D107 T136 A137 V138 V143 K144 | Q104-H140 HydrophobicContact CG-CB 4.28Å; Q104-H140 PolarHBondContact O-CE1 2.85Å; Q104-H140 PolarHBondContact O-NE2 3.47Å; D107-H140 IonicContact OD1-CD2 3.94Å; D107-H140 IonicContact OD1-CE1 3.51Å; D107-H140 IonicContact OD1-NE2 2.69Å; D107-H140 PolarHBondContact OD1-NE2 3.12Å; D107-H140 IonicContact OD2-NE2 2.58Å; T136-H140 PolarHBondContact O-N 3.07Å; A137-H140 WeakPolarHBondContact O-CB 3.21Å; A137-H140 PolarHBondContact O-N 3.4Å; V138-H140 PolarHBondContact O-N 3.29Å; H140-V143 PolarHBondContact O-N 3.15Å; H140-K144 WeakPolarHBondContact O-CB 3.17Å; H140-K144 PolarHBondContact O-N 3.2Å; H140-K144 VanDerWaalsContact O-N 3.1Å |
| 141 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.1 | -40.9 | -178.1 | -64.2 | 176.6 | 0 | 0 | 0 | 112.7 | I48 I106 I110 V128 A137 V138 H139 V143 K144 Y145 F148 | I48-L141 HydrophobicContact CD1-CD1 3.89Å; I106-L141 HydrophobicContact CD1-CD1 4.04Å; I106-L141 HydrophobicContact CD1-CD2 4.25Å; I106-L141 HydrophobicContact CD1-CG 4.26Å; I106-L141 HydrophobicContact CG1-CD2 4.42Å; I110-L141 HydrophobicContact CB-CD2 4.41Å; I110-L141 HydrophobicContact CD1-CD1 3.56Å; I110-L141 HydrophobicContact CD1-CD2 4.29Å; I110-L141 HydrophobicContact CG1-CD1 3.98Å; I110-L141 HydrophobicContact CG1-CD2 3.78Å; I110-L141 HydrophobicContact CG2-CD2 4.17Å; V128-L141 HydrophobicContact CG2-CD1 4.12Å; A137-L141 VanDerWaalsContact O-CG 3.25Å; A137-L141 WeakPolarHBondContact O-CG 3.18Å; A137-L141 PolarHBondContact O-N 3.1Å; V138-L141 PolarHBondContact O-N 2.67Å; V138-L141 VanDerWaalsContact O-N 3.1Å; H139-L141 VanDerWaalsContact C-N 3.3Å; H139-L141 PolarHBondContact O-N 3.19Å; L141-V143 PolarHBondContact O-N 2.98Å; L141-K144 PolarHBondContact O-N 3.46Å; L141-K144 VanDerWaalsContact O-N 3.12Å; L141-Y145 HydrophobicContact CB-CD2 4.45Å; L141-Y145 HydrophobicContact CD2-CD2 3.68Å; L141-Y145 HydrophobicContact CD2-CE2 3.57Å; L141-Y145 PolarHBondContact O-N 3.05Å; L141-F148 HydrophobicContact CB-CD2 4.25Å; L141-F148 HydrophobicContact CB-CE2 3.81Å; L141-F148 HydrophobicContact CD1-CE2 4.3Å; L141-F148 HydrophobicContact CD1-CZ 4.3Å; L141-F148 HydrophobicContact CD2-CE2 4.39Å; L141-F148 HydrophobicContact CG-CE2 4.37Å |
| 142 | M | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70 | -21.8 | -179.9 | -63.1 | -57.2 | -75.7 | 0 | 0 | 112.8 | V128 V138 H139 F148 L167 K168 N169 P170 T171 | V128-M142 HydrophobicContact CG1-CG 4.48Å; V128-M142 HydrophobicContact CG1-SD 3.9Å; V138-M142 HydrophobicContact CG1-CG 3.94Å; V138-M142 WeakPolarHBondContact O-CG 3.26Å; V138-M142 PolarHBondContact O-N 3.48Å; H139-M142 PolarHBondContact O-N 3.36Å; M142-F148 HydrophobicContact SD-CB 4.07Å; M142-L167 HydrophobicContact CB-CD2 4.11Å; M142-K168 PolarHBondContact O-N 2.9Å; M142-N169 VanDerWaalsContact CE-C 3.49Å; M142-N169 HydrophobicContact CE-CB 3.42Å; M142-N169 VanDerWaalsContact CE-CB 3.42Å; M142-N169 VanDerWaalsContact CE-O 3.26Å; M142-N169 WeakPolarHBondContact CE-O 3.35Å; M142-N169 HydrophobicContact SD-CB 4.37Å; M142-P170 WeakPolarHBondContact CE-O 3.21Å; M142-T171 WeakPolarHBondContact CE-OG1 3.37Å; M142-T171 HydrophobicContact CG-CG2 4.37Å |
| 143 | V | 97.4 | Very high | 98 | Very high | 33 Ų | 33 | 24.5 Ų | 24.5 | 20% | 0.2 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -79 | -37.9 | 169.3 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | H139 H140 L141 I164 L167 K168 | H139-V143 WeakPolarHBondContact O-CG2 3.36Å; H139-V143 PolarHBondContact O-N 2.77Å; H139-V143 VanDerWaalsContact O-N 3.14Å; H140-V143 PolarHBondContact O-N 3.15Å; L141-V143 PolarHBondContact O-N 2.98Å; V143-I164 WeakPolarHBondContact CG2-O 3Å; V143-L167 HydrophobicContact CG2-CD2 3.81Å; V143-K168 WeakPolarHBondContact O-CD 3.34Å; V143-K168 WeakPolarHBondContact O-CE 3.4Å; V143-K168 WeakPolarHBondContact O-CG 3.41Å |
| 144 | K | 96.8 | Very high | 98 | Very high | 93 Ų | 93 | 23.6 Ų | 23.6 | 40% | 0.404 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -92.5 | -40.2 | -167.2 | -175.2 | 168 | 175.5 | 173.1 | 0 | 114.2 | D107 H140 L141 K168 | D107-K144 WeakPolarHBondContact OD1-CD 3.35Å; D107-K144 WeakPolarHBondContact OD1-CE 3.13Å; D107-K144 IonicContact OD1-NZ 3.03Å; D107-K144 PolarHBondContact OD1-NZ 2.66Å; D107-K144 IonicContact OD2-NZ 3.33Å; D107-K144 PolarHBondContact OD2-NZ 2.83Å; H140-K144 WeakPolarHBondContact O-CB 3.17Å; H140-K144 PolarHBondContact O-N 3.2Å; H140-K144 VanDerWaalsContact O-N 3.1Å; L141-K144 PolarHBondContact O-N 3.46Å; L141-K144 VanDerWaalsContact O-N 3.12Å; K144-K168 PolarHBondContact O-NZ 2.9Å |
| 145 | Y | 97.4 | Very high | 97.9 | Very high | 32 Ų | 32 | 23.6 Ų | 23.6 | 13% | 0.125 | 12% | 0.116 | C | C | . | . | trans | -112.3 | 114.9 | -167 | -69.4 | -93.8 | 0 | 0 | 0 | 111.8 | D107 I110 L141 E147 F148 N169 | D107-Y145 WeakPolarHBondContact CB-OH 3.43Å; D107-Y145 WeakPolarHBondContact OD1-CE2 3.38Å; D107-Y145 PolarHBondContact OD1-OH 3.29Å; D107-Y145 VanDerWaalsContact OD1-OH 3.07Å; I110-Y145 HydrophobicContact CG2-CE1 4.42Å; L141-Y145 HydrophobicContact CB-CD2 4.45Å; L141-Y145 HydrophobicContact CD2-CD2 3.68Å; L141-Y145 HydrophobicContact CD2-CE2 3.57Å; L141-Y145 PolarHBondContact O-N 3.05Å; Y145-E147 VanDerWaalsContact C-N 3.26Å; Y145-E147 WeakPolarHBondContact CD1-OE1 3.49Å; Y145-E147 PolarHBondContact O-N 2.74Å; Y145-F148 HydrophobicContact CD2-CE2 4.19Å; Y145-F148 HydrophobicContact CG-CD2 4.42Å; Y145-F148 AromaticContact CG-CE2 3.91Å; Y145-F148 HydrophobicContact CG-CE2 3.91Å; Y145-N169 PolarHBondContact O-OD1 2.93Å | ||
| 146 | S | 96.1 | Very high | 97.8 | Very high | 90 Ų | 90 | 23.6 Ų | 23.6 | 63% | 0.629 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -9.8 | 176.7 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | F148 N169 | S146-F148 VanDerWaalsContact C-N 3.34Å; S146-N169 WeakPolarHBondContact CA-OD1 3.47Å; S146-N169 PolarHBondContact O-ND2 3.33Å |
| 147 | E | 95.6 | Very high | 97.5 | Very high | 68 Ų | 68 | 25.2 Ų | 25.2 | 32% | 0.318 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -19.8 | -176.5 | 71.3 | -174 | 118.8 | 0 | 0 | 113.9 | L114 K118 Y145 | L114-E147 VanDerWaalsContact CD1-CD 3.44Å; L114-E147 HydrophobicContact CD1-CG 4.42Å; L114-E147 WeakPolarHBondContact CD1-OE1 3.44Å; L114-E147 HydrophobicContact CD2-CG 4.41Å; K118-E147 IonicContact NZ-OE2 2.66Å; K118-E147 PolarHBondContact NZ-OE2 3.41Å; Y145-E147 VanDerWaalsContact C-N 3.26Å; Y145-E147 WeakPolarHBondContact CD1-OE1 3.49Å; Y145-E147 PolarHBondContact O-N 2.74Å |
| 148 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 140.7 | 174.2 | -66 | -62.7 | 0 | 0 | 0 | 110.3 | I46 I110 L114 I126 V128 L141 M142 Y145 S146 N169 | I46-F148 HydrophobicContact CD1-CE1 3.86Å; I46-F148 HydrophobicContact CD1-CZ 4.3Å; I110-F148 HydrophobicContact CG2-CZ 4.12Å; L114-F148 HydrophobicContact CD1-CZ 4.4Å; L114-F148 HydrophobicContact CD2-CE1 3.85Å; L114-F148 HydrophobicContact CD2-CZ 4.13Å; I126-F148 HydrophobicContact CB-CD1 4.44Å; I126-F148 HydrophobicContact CG2-CD1 3.99Å; I126-F148 HydrophobicContact CG2-CE1 3.91Å; I126-F148 CarbonylContact O-C 3.55Å; I126-F148 WeakPolarHBondContact O-CA 3.36Å; V128-F148 HydrophobicContact CB-CD1 4.45Å; V128-F148 HydrophobicContact CB-CE1 4.48Å; L141-F148 HydrophobicContact CB-CD2 4.25Å; L141-F148 HydrophobicContact CB-CE2 3.81Å; L141-F148 HydrophobicContact CD1-CE2 4.3Å; L141-F148 HydrophobicContact CD1-CZ 4.3Å; L141-F148 HydrophobicContact CD2-CE2 4.39Å; L141-F148 HydrophobicContact CG-CE2 4.37Å; M142-F148 HydrophobicContact SD-CB 4.07Å; Y145-F148 HydrophobicContact CD2-CE2 4.19Å; Y145-F148 HydrophobicContact CG-CD2 4.42Å; Y145-F148 AromaticContact CG-CE2 3.91Å; Y145-F148 HydrophobicContact CG-CE2 3.91Å; S146-F148 VanDerWaalsContact C-N 3.34Å; F148-N169 WeakPolarHBondContact O-CB 3.32Å; F148-N169 PolarHBondContact O-ND2 2.65Å |
| 149 | R | 98.4 | Very high | 96.6 | Very high | 118 Ų | 118 | 33.4 Ų | 33.4 | 45% | 0.445 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -29.6 | 177.3 | -62.3 | -59.4 | -166 | 111.8 | -1.5 | 112.8 | K125 I126 M245 | K125-R149 HydrophobicContact CB-CG 4.05Å; K125-R149 HydrophobicContact CG-CG 4.29Å; I126-R149 PolarHBondContact O-N 3.36Å; R149-M245 HydrophobicContact CB-SD 3.57Å; R149-M245 VanDerWaalsContact CB-SD 3.57Å; R149-M245 HydrophobicContact CG-SD 4.3Å |
| 150 | A | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 142 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111 | G127 V128 P170 L241 M245 | G127-A150 CarbonylContact C-O 3.57Å; G127-A150 VanDerWaalsContact CA-O 3.22Å; G127-A150 WeakPolarHBondContact CA-O 3.46Å; V128-A150 PolarHBondContact N-O 3.33Å; A150-P170 WeakPolarHBondContact CA-O 3.44Å; A150-L241 HydrophobicContact CB-CD2 4.18Å; A150-M245 HydrophobicContact CB-CG 4.02Å; A150-M245 HydrophobicContact CB-SD 4.31Å |
| 151 | G | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 141.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V128 P170 T171 L172 W240 | V128-G151 CarbonylContact O-C 3.55Å; V128-G151 VanDerWaalsContact O-CA 3.28Å; V128-G151 WeakPolarHBondContact O-CA 3.44Å; G151-P170 PolarHBondContact N-O 2.81Å; G151-T171 CarbonylContact O-C 3.5Å; G151-T171 WeakPolarHBondContact O-CA 3.38Å; G151-L172 PolarHBondContact O-N 2.67Å; G151-W240 PolarHBondContact O-NE1 3.44Å |
| 152 | V | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 106.3 | 168.8 | -172 | 0 | 0 | 0 | 0 | 109 | V128 V129 G130 V154 L172 I174 L237 W240 L241 | V128-V152 PolarHBondContact O-N 3.26Å; V129-V152 WeakPolarHBondContact CA-O 3.28Å; V129-V152 HydrophobicContact CG1-CB 4.49Å; V129-V152 HydrophobicContact CG2-CB 4.07Å; V129-V152 HydrophobicContact CG2-CG2 4.21Å; G130-V152 PolarHBondContact N-O 2.9Å; V152-V154 HydrophobicContact CG1-CG2 3.97Å; V152-L172 CarbonylContact C-O 3.43Å; V152-L172 WeakPolarHBondContact CA-O 3.15Å; V152-L172 HydrophobicContact CG1-CB 4.27Å; V152-L172 HydrophobicContact CG1-CD2 4Å; V152-L172 HydrophobicContact CG1-CG 4.2Å; V152-L172 HydrophobicContact CG2-CB 4.36Å; V152-I174 HydrophobicContact CG1-CD1 4.26Å; V152-L237 HydrophobicContact CB-CG 4.3Å; V152-L237 HydrophobicContact CG1-CB 4.17Å; V152-L237 HydrophobicContact CG1-CD1 4.15Å; V152-L237 HydrophobicContact CG1-CG 3.94Å; V152-L237 HydrophobicContact CG2-CG 4.2Å; V152-W240 HydrophobicContact CG2-CB 4.38Å; V152-W240 HydrophobicContact CG2-CG 4.35Å; V152-L241 HydrophobicContact CG2-CD2 4.45Å |
| 153 | S | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 116.5 | 175.5 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | G135 L172 F173 I174 | G135-S153 VanDerWaalsContact C-OG 3.31Å; G135-S153 WeakPolarHBondContact CA-OG 3.19Å; G135-S153 PolarHBondContact O-OG 3.41Å; S153-L172 PolarHBondContact N-O 2.9Å; S153-F173 CarbonylContact O-C 3.5Å; S153-F173 WeakPolarHBondContact O-CA 3.33Å; S153-I174 PolarHBondContact O-N 3.03Å |
| 154 | V | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 115.9 | -178.7 | -162.4 | 0 | 0 | 0 | 0 | 108.4 | G130 F131 C132 V152 G156 I174 V215 | G130-V154 WeakPolarHBondContact O-CB 3.37Å; G130-V154 PolarHBondContact O-N 3.36Å; F131-V154 WeakPolarHBondContact CA-O 3.47Å; F131-V154 HydrophobicContact CD1-CB 3.68Å; F131-V154 HydrophobicContact CD1-CG1 4.04Å; F131-V154 HydrophobicContact CD1-CG2 3.83Å; F131-V154 HydrophobicContact CE1-CB 4.16Å; F131-V154 HydrophobicContact CE1-CG1 4.37Å; F131-V154 HydrophobicContact CE1-CG2 3.82Å; C132-V154 PolarHBondContact N-O 2.94Å; V152-V154 HydrophobicContact CG1-CG2 3.97Å; V154-G156 PolarHBondContact O-N 3.27Å; V154-G156 VanDerWaalsContact O-N 3.14Å; V154-I174 HydrophobicContact CG1-CB 4.01Å; V154-I174 HydrophobicContact CG1-CG2 4.05Å; V154-I174 HydrophobicContact CG2-CD1 4.45Å; V154-V215 HydrophobicContact CG1-CB 4Å; V154-V215 HydrophobicContact CG1-CG1 4.38Å; V154-V215 HydrophobicContact CG1-CG2 3.6Å |
| 155 | Y | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 41 | 46.8 | -173.8 | 42.5 | -102.2 | 0 | 0 | 0 | 112.7 | F131 C132 I174 I182 H212 G213 V215 H216 | F131-Y155 HydrophobicContact CB-CE2 3.87Å; F131-Y155 VanDerWaalsContact CB-OH 3.32Å; F131-Y155 WeakPolarHBondContact CB-OH 3.5Å; F131-Y155 AromaticContact CD1-CZ 3.93Å; F131-Y155 WeakPolarHBondContact CD1-OH 3.01Å; F131-Y155 WeakPolarHBondContact CG-OH 3.32Å; C132-Y155 VanDerWaalsContact CA-CD2 3.47Å; C132-Y155 WeakPolarHBondContact CA-O 3.49Å; C132-Y155 HydrophobicContact CB-CD2 3.68Å; C132-Y155 HydrophobicContact CB-CE2 3.66Å; Y155-I174 PolarHBondContact N-O 3.01Å; Y155-I182 WeakPolarHBondContact O-CD1 3.1Å; Y155-H212 AromaticContact CD2-CD2 3.99Å; Y155-H212 AromaticContact CD2-CE1 3.58Å; Y155-H212 AromaticContact CD2-NE2 3.41Å; Y155-H212 WeakPolarHBondContact CD2-NE2 3.11Å; Y155-H212 AromaticContact CG-CE1 3.89Å; Y155-H212 PolarHBondContact O-CE1 2.8Å; Y155-G213 VanDerWaalsContact CE1-CA 3.45Å; Y155-V215 HydrophobicContact CE1-CB 4.1Å; Y155-V215 HydrophobicContact CE1-CG2 4.07Å; Y155-H216 AromaticContact CZ-CE1 3.69Å; Y155-H216 AromaticContact CZ-ND1 3.72Å; Y155-H216 PolarHBondContact OH-CE1 3.48Å; Y155-H216 PolarHBondContact OH-ND1 3.25Å |
| 156 | G | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -83.7 | 135.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | C132 V154 V158 | C132-G156 WeakPolarHBondContact O-CA 3.41Å; V154-G156 PolarHBondContact O-N 3.27Å; V154-G156 VanDerWaalsContact O-N 3.14Å; G156-V158 PolarHBondContact O-N 2.96Å | ||
| 157 | I | 92.4 | Very high | 93.8 | Very high | 57 Ų | 57 | 43.3 Ų | 43.3 | 29% | 0.292 | 22% | 0.218 | S | C | . | . | trans | -76.3 | 121.7 | 174.2 | -55.9 | 171.8 | 0 | 0 | 0 | 108.3 | T136 K159 V181 I182 | T136-I157 WeakPolarHBondContact CB-O 3.49Å; T136-I157 WeakPolarHBondContact CG2-O 3.42Å; T136-I157 PolarHBondContact OG1-N 3.3Å; T136-I157 PolarHBondContact OG1-O 2.89Å; I157-K159 HydrophobicContact CG2-CG 4.07Å; I157-V181 HydrophobicContact CD1-CG1 3.9Å; I157-V181 HydrophobicContact CG1-CG1 4.32Å; I157-I182 HydrophobicContact CG1-CD1 4.1Å; I157-I182 HydrophobicContact CG1-CG1 3.96Å | ||
| 158 | V | 89.9 | Confident | 93.9 | Very high | 23 Ų | 23 | 45 Ų | 45 | 14% | 0.139 | 22% | 0.224 | C | C | . | . | trans | -108.7 | 112.1 | 171.5 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | H139 G156 I164 Y165 L190 | H139-V158 HydrophobicContact CB-CG2 4.26Å; H139-V158 WeakPolarHBondContact NE2-CG1 3.29Å; G156-V158 PolarHBondContact O-N 2.96Å; V158-I164 HydrophobicContact CG1-CD1 3.42Å; V158-I164 VanDerWaalsContact CG1-CD1 3.42Å; V158-Y165 HydrophobicContact CG1-CE1 4.31Å; V158-L190 HydrophobicContact CB-CD1 4.24Å; V158-L190 HydrophobicContact CG1-CD1 3.96Å; V158-L190 HydrophobicContact CG2-CD1 4.25Å; V158-L190 HydrophobicContact CG2-CD2 4.19Å | ||
| 159 | K | 88 | Confident | 93.9 | Very high | 149 Ų | 149 | 45.8 Ų | 45.8 | 65% | 0.648 | 23% | 0.229 | S | C | * | . | trans | -92.2 | 125.9 | 179.1 | -65.7 | -175.2 | 179.4 | -179.8 | 0 | 109.7 | I157 S161 I164 | I157-K159 HydrophobicContact CG2-CG 4.07Å; K159-S161 PolarHBondContact O-N 3.16Å; K159-S161 PolarHBondContact O-OG 3.17Å; K159-I164 WeakPolarHBondContact O-CD1 3.44Å | ||
| 160 | D | 87.9 | Confident | 93.9 | Very high | 92 Ų | 92 | 41.3 Ų | 41.3 | 49% | 0.492 | 22% | 0.215 | S | C | . | . | trans | -56.2 | 127.7 | -179.1 | -169.4 | 46.9 | 0 | 0 | 0 | 111.6 | Y165 L189 | D160-Y165 WeakPolarHBondContact CA-OH 3.49Å; D160-Y165 WeakPolarHBondContact OD1-CE2 3.32Å; D160-Y165 VanDerWaalsContact OD1-CZ 3.28Å; D160-Y165 PolarHBondContact OD1-OH 2.89Å; D160-L189 HydrophobicContact CB-CD2 4.09Å | ||
| 161 | S | 86.8 | Confident | 93.9 | Very high | 54 Ų | 54 | 41.3 Ų | 41.3 | 38% | 0.378 | 22% | 0.215 | S | C | . | . | trans | -165 | 165.6 | 177.7 | 47.4 | 0 | 0 | 0 | 0 | 109.8 | K159 G163 I164 | K159-S161 PolarHBondContact O-N 3.16Å; K159-S161 PolarHBondContact O-OG 3.17Å; S161-G163 PolarHBondContact O-N 2.88Å; S161-I164 VanDerWaalsContact O-CG1 3.26Å; S161-I164 WeakPolarHBondContact O-CG1 3.33Å; S161-I164 WeakPolarHBondContact OG-CG2 3.44Å | ||
| 162 | E | 83.6 | Confident | 93.9 | Very high | 198 Ų | 198 | 41.3 Ų | 41.3 | 93% | 0.925 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 135.8 | -178.5 | -166.3 | 178.2 | 178.1 | 0 | 0 | 111.4 | I164 | E162-I164 VanDerWaalsContact C-N 3.27Å; E162-I164 PolarHBondContact O-N 3.08Å |
| 163 | G | 84.6 | Confident | 93.9 | Very high | 31 Ų | 31 | 41.3 Ų | 41.3 | 32% | 0.32 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | -12 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | S161 Y165 N166 | S161-G163 PolarHBondContact O-N 2.88Å; G163-Y165 PolarHBondContact O-N 3.14Å; G163-N166 WeakPolarHBondContact O-CB 3.4Å; G163-N166 PolarHBondContact O-N 2.88Å; G163-N166 VanDerWaalsContact O-N 3.15Å |
| 164 | I | 91.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 11% | 0.108 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -14 | -177.6 | 60.5 | 141.5 | 0 | 0 | 0 | 114.4 | H139 V143 V158 K159 S161 E162 | H139-I164 PolarHBondContact CE1-O 3.47Å; H139-I164 PolarHBondContact NE2-O 3.27Å; V143-I164 WeakPolarHBondContact CG2-O 3Å; V158-I164 HydrophobicContact CG1-CD1 3.42Å; V158-I164 VanDerWaalsContact CG1-CD1 3.42Å; K159-I164 WeakPolarHBondContact O-CD1 3.44Å; S161-I164 VanDerWaalsContact O-CG1 3.26Å; S161-I164 WeakPolarHBondContact O-CG1 3.33Å; S161-I164 WeakPolarHBondContact OG-CG2 3.44Å; E162-I164 VanDerWaalsContact C-N 3.27Å; E162-I164 PolarHBondContact O-N 3.08Å |
| 165 | Y | 95.1 | Very high | 93.9 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -6.1 | 177.2 | -52.5 | -71.4 | 0 | 0 | 0 | 113.2 | V158 D160 G163 L167 L190 K193 L194 C198 | V158-Y165 HydrophobicContact CG1-CE1 4.31Å; D160-Y165 WeakPolarHBondContact CA-OH 3.49Å; D160-Y165 WeakPolarHBondContact OD1-CE2 3.32Å; D160-Y165 VanDerWaalsContact OD1-CZ 3.28Å; D160-Y165 PolarHBondContact OD1-OH 2.89Å; G163-Y165 PolarHBondContact O-N 3.14Å; Y165-L167 PolarHBondContact O-N 2.82Å; Y165-L190 HydrophobicContact CD1-CD1 4.01Å; Y165-L190 HydrophobicContact CE1-CD1 3.81Å; Y165-K193 HydrophobicContact CD1-CB 3.41Å; Y165-K193 VanDerWaalsContact CD1-CB 3.41Å; Y165-K193 HydrophobicContact CD1-CG 4.44Å; Y165-K193 HydrophobicContact CD2-CB 3.58Å; Y165-K193 HydrophobicContact CD2-CD 4.17Å; Y165-K193 HydrophobicContact CD2-CG 4.1Å; Y165-K193 HydrophobicContact CE1-CB 3.37Å; Y165-K193 HydrophobicContact CE1-CG 4Å; Y165-K193 HydrophobicContact CE2-CB 3.53Å; Y165-K193 HydrophobicContact CE2-CD 3.82Å; Y165-K193 HydrophobicContact CE2-CG 3.61Å; Y165-K193 HydrophobicContact CG-CB 3.5Å; Y165-K193 VanDerWaalsContact CG-CB 3.5Å; Y165-K193 HydrophobicContact CG-CG 4.48Å; Y165-K193 VanDerWaalsContact CZ-CB 3.41Å; Y165-L194 HydrophobicContact CD1-CD2 4.32Å; Y165-L194 HydrophobicContact CD1-CG 4.35Å; Y165-C198 WeakPolarHBondContact O-CA 3.26Å; Y165-C198 WeakPolarHBondContact O-CB 3.45Å |
| 166 | N | 94.7 | Very high | 93.9 | Very high | 83 Ų | 83 | 41.5 Ų | 41.5 | 44% | 0.444 | 22% | 0.216 | S | C | . | . | trans | -82.3 | 64.9 | 176.6 | -65 | -35.3 | 0 | 0 | 0 | 110.4 | G163 K168 H197 | G163-N166 WeakPolarHBondContact O-CB 3.4Å; G163-N166 PolarHBondContact O-N 2.88Å; G163-N166 VanDerWaalsContact O-N 3.15Å; N166-K168 PolarHBondContact O-N 2.9Å; N166-H197 PolarHBondContact OD1-O 3.19Å | ||
| 167 | L | 97.8 | Very high | 93.9 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | trans | -60.2 | 137.2 | 177.3 | -55.2 | 176.9 | 0 | 0 | 0 | 110.3 | M142 V143 Y165 F173 L194 V200 | M142-L167 HydrophobicContact CB-CD2 4.11Å; V143-L167 HydrophobicContact CG2-CD2 3.81Å; Y165-L167 PolarHBondContact O-N 2.82Å; L167-F173 HydrophobicContact CD1-CE2 3.96Å; L167-F173 HydrophobicContact CD1-CZ 3.95Å; L167-L194 HydrophobicContact CD1-CD2 3.64Å; L167-L194 HydrophobicContact CG-CD2 3.94Å; L167-V200 HydrophobicContact CB-CG2 3.67Å; L167-V200 WeakPolarHBondContact O-CG2 3.5Å | ||
| 168 | K | 98.1 | Very high | 94 | Very high | 103 Ų | 103 | 46.8 Ų | 46.8 | 45% | 0.448 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -90 | -20.1 | 178.3 | -68.5 | -177.7 | 178.6 | 177.5 | 0 | 112.8 | M142 V143 K144 N166 | M142-K168 PolarHBondContact O-N 2.9Å; V143-K168 WeakPolarHBondContact O-CD 3.34Å; V143-K168 WeakPolarHBondContact O-CE 3.4Å; V143-K168 WeakPolarHBondContact O-CG 3.41Å; K144-K168 PolarHBondContact O-NZ 2.9Å; N166-K168 PolarHBondContact O-N 2.9Å |
| 169 | N | 98.4 | Very high | 94.1 | Very high | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -142.7 | 157.6 | -173.9 | -48 | 93.1 | 0 | 0 | 0 | 112 | M142 Y145 S146 F148 T171 V200 | M142-N169 VanDerWaalsContact CE-C 3.49Å; M142-N169 HydrophobicContact CE-CB 3.42Å; M142-N169 VanDerWaalsContact CE-CB 3.42Å; M142-N169 VanDerWaalsContact CE-O 3.26Å; M142-N169 WeakPolarHBondContact CE-O 3.35Å; M142-N169 HydrophobicContact SD-CB 4.37Å; Y145-N169 PolarHBondContact O-OD1 2.93Å; S146-N169 WeakPolarHBondContact CA-OD1 3.47Å; S146-N169 PolarHBondContact O-ND2 3.33Å; F148-N169 WeakPolarHBondContact O-CB 3.32Å; F148-N169 PolarHBondContact O-ND2 2.65Å; N169-T171 PolarHBondContact O-N 3.29Å; N169-T171 PolarHBondContact O-OG1 3.18Å; N169-V200 WeakPolarHBondContact O-CG2 3.33Å |
| 170 | P | 98.7 | Very high | 94.2 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 16% | 0.156 | 24% | 0.236 | C | C | . | . | trans | -56.5 | 125.1 | -177.3 | -28.6 | 36.2 | 0 | 0 | 0 | 114 | M142 A150 G151 E201 W240 Y244 | M142-P170 WeakPolarHBondContact CE-O 3.21Å; A150-P170 WeakPolarHBondContact CA-O 3.44Å; G151-P170 PolarHBondContact N-O 2.81Å; P170-E201 WeakPolarHBondContact CA-O 3.3Å; P170-E201 HydrophobicContact CB-CB 4.46Å; P170-W240 HydrophobicContact CB-CZ2 3.77Å; P170-W240 PolarHBondContact O-NE1 3.11Å; P170-Y244 HydrophobicContact CB-CD1 3.69Å; P170-Y244 HydrophobicContact CB-CD2 3.83Å; P170-Y244 HydrophobicContact CB-CE1 3.67Å; P170-Y244 HydrophobicContact CB-CE2 3.85Å; P170-Y244 HydrophobicContact CB-CG 3.77Å; P170-Y244 HydrophobicContact CG-CD1 3.51Å; P170-Y244 HydrophobicContact CG-CE1 3.59Å; P170-Y244 HydrophobicContact CG-CG 4.04Å | ||
| 171 | T | 98.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 126.7 | -176.4 | -50.2 | 0 | 0 | 0 | 0 | 113.7 | M142 G151 N169 F173 E201 Y202 Q203 | M142-T171 WeakPolarHBondContact CE-OG1 3.37Å; M142-T171 HydrophobicContact CG-CG2 4.37Å; G151-T171 CarbonylContact O-C 3.5Å; G151-T171 WeakPolarHBondContact O-CA 3.38Å; N169-T171 PolarHBondContact O-N 3.29Å; N169-T171 PolarHBondContact O-OG1 3.18Å; T171-F173 HydrophobicContact CG2-CD2 4.11Å; T171-F173 HydrophobicContact CG2-CE1 4.03Å; T171-F173 HydrophobicContact CG2-CE2 3.55Å; T171-F173 HydrophobicContact CG2-CZ 3.5Å; T171-F173 VanDerWaalsContact CG2-CZ 3.5Å; T171-E201 PolarHBondContact N-O 3.5Å; T171-E201 VanDerWaalsContact N-O 3.14Å; T171-Y202 WeakPolarHBondContact O-CA 3.41Å; T171-Y202 WeakPolarHBondContact O-CB 3.46Å; T171-Q203 PolarHBondContact O-N 3.22Å |
| 172 | L | 98.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 133.2 | 165.9 | 172 | 64.3 | 0 | 0 | 0 | 109.7 | G151 V152 S153 I174 Q203 K205 N236 W240 | G151-L172 PolarHBondContact O-N 2.67Å; V152-L172 CarbonylContact C-O 3.43Å; V152-L172 WeakPolarHBondContact CA-O 3.15Å; V152-L172 HydrophobicContact CG1-CB 4.27Å; V152-L172 HydrophobicContact CG1-CD2 4Å; V152-L172 HydrophobicContact CG1-CG 4.2Å; V152-L172 HydrophobicContact CG2-CB 4.36Å; S153-L172 PolarHBondContact N-O 2.9Å; L172-I174 HydrophobicContact CD1-CG1 4.38Å; L172-I174 HydrophobicContact CD2-CD1 4.02Å; L172-I174 HydrophobicContact CD2-CG1 4.12Å; L172-I174 HydrophobicContact CG-CD1 4.45Å; L172-I174 HydrophobicContact CG-CG1 4.03Å; L172-Q203 CarbonylContact C-O 3.59Å; L172-Q203 WeakPolarHBondContact CA-O 3.37Å; L172-Q203 HydrophobicContact CD1-CB 3.86Å; L172-Q203 HydrophobicContact CD1-CG 4.01Å; L172-K205 HydrophobicContact CD1-CG 4.24Å; L172-N236 HydrophobicContact CD2-CB 4.27Å; L172-W240 HydrophobicContact CB-CB 4.2Å; L172-W240 HydrophobicContact CB-CD2 3.57Å; L172-W240 HydrophobicContact CB-CE3 4Å; L172-W240 HydrophobicContact CB-CG 3.63Å; L172-W240 HydrophobicContact CB-CZ2 4.49Å; L172-W240 HydrophobicContact CD2-CB 3.9Å; L172-W240 HydrophobicContact CD2-CG 4.26Å |
| 173 | F | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 130 | 170.7 | -59.1 | -92.5 | 0 | 0 | 0 | 109.6 | H139 S153 L167 T171 F175 L190 L194 Q203 I204 K205 | H139-F173 AromaticContact ND1-CE1 3.64Å; H139-F173 AromaticContact ND1-CZ 3.73Å; S153-F173 CarbonylContact O-C 3.5Å; S153-F173 WeakPolarHBondContact O-CA 3.33Å; L167-F173 HydrophobicContact CD1-CE2 3.96Å; L167-F173 HydrophobicContact CD1-CZ 3.95Å; T171-F173 HydrophobicContact CG2-CD2 4.11Å; T171-F173 HydrophobicContact CG2-CE1 4.03Å; T171-F173 HydrophobicContact CG2-CE2 3.55Å; T171-F173 HydrophobicContact CG2-CZ 3.5Å; T171-F173 VanDerWaalsContact CG2-CZ 3.5Å; F173-F175 HydrophobicContact CB-CD2 4.31Å; F173-F175 HydrophobicContact CB-CE2 3.62Å; F173-F175 HydrophobicContact CB-CZ 4.19Å; F173-F175 HydrophobicContact CD1-CZ 4.38Å; F173-F175 HydrophobicContact CG-CE2 4.4Å; F173-L190 HydrophobicContact CD1-CD2 3.98Å; F173-L190 HydrophobicContact CE1-CD2 4.23Å; F173-L190 HydrophobicContact CG-CD2 4.3Å; F173-L194 HydrophobicContact CD2-CD1 4.14Å; F173-L194 HydrophobicContact CE2-CD1 3.6Å; F173-L194 HydrophobicContact CZ-CD1 4.08Å; F173-Q203 PolarHBondContact N-O 3.1Å; F173-I204 HydrophobicContact CB-CG1 4.18Å; F173-I204 HydrophobicContact CB-CG2 4.49Å; F173-I204 HydrophobicContact CD2-CG1 4.12Å; F173-I204 HydrophobicContact CG-CG1 4.47Å; F173-I204 CarbonylContact O-C 3.56Å; F173-I204 WeakPolarHBondContact O-CA 3.42Å; F173-K205 PolarHBondContact O-N 3.13Å |
| 174 | I | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 122.8 | 177 | -62.6 | 176.4 | 0 | 0 | 0 | 108.7 | V152 S153 V154 Y155 L172 K205 F207 F214 V215 A233 | V152-I174 HydrophobicContact CG1-CD1 4.26Å; S153-I174 PolarHBondContact O-N 3.03Å; V154-I174 HydrophobicContact CG1-CB 4.01Å; V154-I174 HydrophobicContact CG1-CG2 4.05Å; V154-I174 HydrophobicContact CG2-CD1 4.45Å; Y155-I174 PolarHBondContact N-O 3.01Å; L172-I174 HydrophobicContact CD1-CG1 4.38Å; L172-I174 HydrophobicContact CD2-CD1 4.02Å; L172-I174 HydrophobicContact CD2-CG1 4.12Å; L172-I174 HydrophobicContact CG-CD1 4.45Å; L172-I174 HydrophobicContact CG-CG1 4.03Å; I174-K205 CarbonylContact C-O 3.25Å; I174-K205 WeakPolarHBondContact CA-O 3.15Å; I174-F207 HydrophobicContact CG2-CD2 3.92Å; I174-F207 HydrophobicContact CG2-CE2 3.8Å; I174-F214 HydrophobicContact CG2-CE1 4.25Å; I174-F214 HydrophobicContact CG2-CZ 4.02Å; I174-V215 HydrophobicContact CG2-CG2 4.24Å; I174-A233 HydrophobicContact CD1-CB 4.47Å; I174-A233 HydrophobicContact CG2-CB 4.36Å |
| 175 | F | 98.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 165.9 | 178.5 | -63.8 | -71.2 | 0 | 0 | 0 | 111.7 | F173 I182 V187 L190 I204 K205 T206 F207 | F173-F175 HydrophobicContact CB-CD2 4.31Å; F173-F175 HydrophobicContact CB-CE2 3.62Å; F173-F175 HydrophobicContact CB-CZ 4.19Å; F173-F175 HydrophobicContact CD1-CZ 4.38Å; F173-F175 HydrophobicContact CG-CE2 4.4Å; F175-I182 HydrophobicContact CD1-CD1 4.31Å; F175-I182 HydrophobicContact CD1-CG2 4.04Å; F175-I182 HydrophobicContact CE1-CD1 4.2Å; F175-I182 HydrophobicContact CE1-CG2 4.04Å; F175-V187 HydrophobicContact CB-CG2 4.06Å; F175-V187 HydrophobicContact CD1-CG2 3.94Å; F175-V187 HydrophobicContact CD2-CB 4.39Å; F175-V187 HydrophobicContact CD2-CG1 3.64Å; F175-V187 HydrophobicContact CD2-CG2 3.9Å; F175-V187 HydrophobicContact CE1-CG2 4.37Å; F175-V187 HydrophobicContact CE2-CG1 4.02Å; F175-V187 HydrophobicContact CE2-CG2 4.31Å; F175-V187 HydrophobicContact CG-CG1 4.23Å; F175-V187 HydrophobicContact CG-CG2 3.7Å; F175-L190 HydrophobicContact CE2-CD2 3.76Å; F175-L190 HydrophobicContact CZ-CD2 3.62Å; F175-I204 HydrophobicContact CD2-CG2 3.85Å; F175-I204 HydrophobicContact CE2-CG2 4.03Å; F175-K205 PolarHBondContact N-O 2.75Å; F175-T206 HydrophobicContact CB-CG2 4.43Å; F175-T206 WeakPolarHBondContact O-CA 3.28Å; F175-F207 PolarHBondContact O-N 3.16Å |
| 176 | A | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 140.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | D179 Q210 F214 | A176-D179 HydrophobicContact CB-CB 3.98Å; A176-D179 WeakPolarHBondContact O-CB 3.35Å; A176-Q210 VanDerWaalsContact CB-C 3.47Å; A176-Q210 HydrophobicContact CB-CB 4.01Å; A176-Q210 VanDerWaalsContact CB-O 3.26Å; A176-Q210 WeakPolarHBondContact CB-O 3.36Å; A176-F214 HydrophobicContact CB-CD1 4.05Å; A176-F214 HydrophobicContact CB-CE1 4.15Å |
| 177 | E | 95.3 | Very high | 95.7 | Very high | 79 Ų | 79 | 38.2 Ų | 38.2 | 37% | 0.369 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -41.5 | -179.7 | -179.9 | 179.4 | -142.5 | 0 | 0 | 112.5 | D179 L184 T206 F207 S208 G209 | E177-D179 VanDerWaalsContact C-N 3.3Å; E177-D179 PolarHBondContact O-N 3.39Å; E177-L184 HydrophobicContact CG-CD1 4.3Å; E177-T206 HydrophobicContact CB-CG2 4.41Å; E177-F207 WeakPolarHBondContact CB-O 2.95Å; E177-F207 PolarHBondContact N-O 3.16Å; E177-S208 WeakPolarHBondContact OE2-CA 3.5Å; E177-S208 VanDerWaalsContact OE2-CB 3.28Å; E177-S208 WeakPolarHBondContact OE2-CB 3.46Å; E177-S208 PolarHBondContact OE2-OG 3.34Å; E177-G209 PolarHBondContact OE2-N 3.1Å |
| 178 | N | 93.9 | Very high | 95.6 | Very high | 88 Ų | 88 | 41.4 Ų | 41.4 | 47% | 0.471 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 34.2 | -178.2 | -61.2 | -32.3 | 0 | 0 | 0 | 111.6 | V180 G209 Q210 T211 | N178-V180 PolarHBondContact O-N 2.83Å; N178-G209 WeakPolarHBondContact ND2-CA 3.38Å; N178-G209 PolarHBondContact ND2-O 3.44Å; N178-Q210 WeakPolarHBondContact CA-O 3.45Å; N178-Q210 WeakPolarHBondContact CB-O 3.23Å; N178-Q210 PolarHBondContact N-O 3.24Å; N178-T211 HydrophobicContact CB-CG2 4.03Å |
| 179 | D | 93 | Very high | 95.5 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | trans | -81.3 | 106.4 | 178.1 | -167.3 | -26.4 | 0 | 0 | 0 | 110.8 | A176 E177 V181 I182 H212 | A176-D179 HydrophobicContact CB-CB 3.98Å; A176-D179 WeakPolarHBondContact O-CB 3.35Å; E177-D179 VanDerWaalsContact C-N 3.3Å; E177-D179 PolarHBondContact O-N 3.39Å; D179-V181 PolarHBondContact O-N 3.14Å; D179-V181 WeakPolarHBondContact OD1-CA 3.39Å; D179-V181 VanDerWaalsContact OD1-CB 3.23Å; D179-V181 WeakPolarHBondContact OD1-CB 3.47Å; D179-V181 PolarHBondContact OD1-N 3.06Å; D179-I182 HydrophobicContact CB-CB 4.46Å; D179-I182 CarbonylContact O-C 3.58Å; D179-I182 VanDerWaalsContact O-C 3.25Å; D179-I182 PolarHBondContact O-N 3.3Å; D179-I182 PolarHBondContact OD1-N 3.06Å; D179-H212 VanDerWaalsContact CG-ND1 3.3Å; D179-H212 WeakPolarHBondContact OD1-CB 3.4Å; D179-H212 IonicContact OD1-CG 3.36Å; D179-H212 IonicContact OD1-ND1 2.67Å; D179-H212 PolarHBondContact OD1-ND1 3.12Å; D179-H212 VanDerWaalsContact OD1-ND1 3.12Å; D179-H212 IonicContact OD2-CE1 3.92Å; D179-H212 IonicContact OD2-CG 3.93Å; D179-H212 IonicContact OD2-ND1 2.74Å; D179-H212 PolarHBondContact OD2-ND1 2.74Å | ||
| 180 | V | 88.9 | Confident | 95.4 | Very high | 105 Ų | 105 | 38.9 Ų | 38.9 | 64% | 0.636 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -72.9 | -17.5 | 178.4 | -59.4 | 0 | 0 | 0 | 0 | 113.3 | P9 N178 | P9-V180 HydrophobicContact CB-CG2 4.44Å; N178-V180 PolarHBondContact O-N 2.83Å |
| 181 | V | 88.8 | Confident | 95.3 | Very high | 31 Ų | 31 | 40.5 Ų | 40.5 | 19% | 0.188 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -83 | -36.3 | 176.4 | -170.7 | 0 | 0 | 0 | 0 | 110.2 | P9 C10 I157 D179 H212 | P9-V181 HydrophobicContact CB-CG2 4.13Å; P9-V181 WeakPolarHBondContact O-CG2 3.31Å; C10-V181 WeakPolarHBondContact SG-CG2 3.34Å; I157-V181 HydrophobicContact CD1-CG1 3.9Å; I157-V181 HydrophobicContact CG1-CG1 4.32Å; D179-V181 PolarHBondContact O-N 3.14Å; D179-V181 WeakPolarHBondContact OD1-CA 3.39Å; D179-V181 VanDerWaalsContact OD1-CB 3.23Å; D179-V181 WeakPolarHBondContact OD1-CB 3.47Å; D179-V181 PolarHBondContact OD1-N 3.06Å; V181-H212 HydrophobicContact CG2-CB 4.15Å |
| 182 | I | 92.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -126.4 | 84.2 | -176.5 | -53.6 | 173.3 | 0 | 0 | 0 | 108.9 | Y155 I157 F175 D179 N186 V187 | Y155-I182 WeakPolarHBondContact O-CD1 3.1Å; I157-I182 HydrophobicContact CG1-CD1 4.1Å; I157-I182 HydrophobicContact CG1-CG1 3.96Å; F175-I182 HydrophobicContact CD1-CD1 4.31Å; F175-I182 HydrophobicContact CD1-CG2 4.04Å; F175-I182 HydrophobicContact CE1-CD1 4.2Å; F175-I182 HydrophobicContact CE1-CG2 4.04Å; D179-I182 HydrophobicContact CB-CB 4.46Å; D179-I182 CarbonylContact O-C 3.58Å; D179-I182 VanDerWaalsContact O-C 3.25Å; D179-I182 PolarHBondContact O-N 3.3Å; D179-I182 PolarHBondContact OD1-N 3.06Å; I182-N186 HydrophobicContact CG2-CB 4.28Å; I182-V187 HydrophobicContact CG2-CG2 4.04Å |
| 183 | P | 93.5 | Very high | 95.1 | Very high | 47 Ų | 47 | 47.9 Ų | 47.9 | 31% | 0.305 | 26% | 0.258 | S | S | . | . | trans | -58.8 | 151.2 | 176 | -24.3 | 34.8 | 0 | 0 | 0 | 112.2 | E185 N186 | P183-E185 HydrophobicContact CB-CG 4.03Å; P183-E185 PolarHBondContact O-N 3.19Å; P183-E185 VanDerWaalsContact O-N 3.1Å; P183-N186 WeakPolarHBondContact O-CB 3.26Å; P183-N186 PolarHBondContact O-N 3.3Å | ||
| 184 | L | 94.3 | Very high | 95.1 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 40% | 0.403 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.4 | -25.7 | -178.1 | -71.1 | 177.2 | 0 | 0 | 0 | 114 | E177 N186 V187 S188 T206 | E177-L184 HydrophobicContact CG-CD1 4.3Å; L184-N186 VanDerWaalsContact C-N 3.3Å; L184-N186 PolarHBondContact O-N 2.86Å; L184-V187 PolarHBondContact O-N 2.66Å; L184-S188 WeakPolarHBondContact O-CB 3.17Å; L184-S188 PolarHBondContact O-N 2.58Å; L184-S188 PolarHBondContact O-OG 3.41Å; L184-T206 HydrophobicContact CD2-CG2 3.86Å |
| 185 | E | 95.1 | Very high | 95 | Very high | 140 Ų | 140 | 56 Ų | 56 | 65% | 0.654 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.1 | -37.9 | 173 | 69.6 | -156.1 | -167.3 | 0 | 0 | 112.2 | P183 S188 L189 | P183-E185 HydrophobicContact CB-CG 4.03Å; P183-E185 PolarHBondContact O-N 3.19Å; P183-E185 VanDerWaalsContact O-N 3.1Å; E185-S188 PolarHBondContact O-N 2.69Å; E185-L189 WeakPolarHBondContact O-CB 3.02Å; E185-L189 PolarHBondContact O-N 3.17Å |
| 186 | N | 94.4 | Very high | 94.9 | Very high | 62 Ų | 62 | 60.6 Ų | 60.6 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.5 | -39.5 | 175.9 | -68.8 | -10.5 | 0 | 0 | 0 | 110.9 | I182 P183 L184 S188 L189 L190 | I182-N186 HydrophobicContact CG2-CB 4.28Å; P183-N186 WeakPolarHBondContact O-CB 3.26Å; P183-N186 PolarHBondContact O-N 3.3Å; L184-N186 VanDerWaalsContact C-N 3.3Å; L184-N186 PolarHBondContact O-N 2.86Å; N186-S188 VanDerWaalsContact C-N 3.31Å; N186-L189 PolarHBondContact O-N 3.29Å; N186-L190 WeakPolarHBondContact O-CB 3.49Å; N186-L190 PolarHBondContact O-N 3.48Å |
| 187 | V | 96.1 | Very high | 94.8 | Very high | 7 Ų | 7 | 64.3 Ų | 64.3 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 174.6 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | F175 I182 L184 L190 T191 I204 | F175-V187 HydrophobicContact CB-CG2 4.06Å; F175-V187 HydrophobicContact CD1-CG2 3.94Å; F175-V187 HydrophobicContact CD2-CB 4.39Å; F175-V187 HydrophobicContact CD2-CG1 3.64Å; F175-V187 HydrophobicContact CD2-CG2 3.9Å; F175-V187 HydrophobicContact CE1-CG2 4.37Å; F175-V187 HydrophobicContact CE2-CG1 4.02Å; F175-V187 HydrophobicContact CE2-CG2 4.31Å; F175-V187 HydrophobicContact CG-CG1 4.23Å; F175-V187 HydrophobicContact CG-CG2 3.7Å; I182-V187 HydrophobicContact CG2-CG2 4.04Å; L184-V187 PolarHBondContact O-N 2.66Å; V187-L190 PolarHBondContact O-N 3.5Å; V187-T191 WeakPolarHBondContact O-CB 3.46Å; V187-T191 PolarHBondContact O-N 2.85Å; V187-T191 PolarHBondContact O-OG1 2.76Å; V187-I204 HydrophobicContact CG1-CG2 4.01Å |
| 188 | S | 96.4 | Very high | 94.8 | Very high | 74 Ų | 74 | 61.4 Ų | 61.4 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 178.6 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | L184 E185 N186 T191 Q192 | L184-S188 WeakPolarHBondContact O-CB 3.17Å; L184-S188 PolarHBondContact O-N 2.58Å; L184-S188 PolarHBondContact O-OG 3.41Å; E185-S188 PolarHBondContact O-N 2.69Å; N186-S188 VanDerWaalsContact C-N 3.31Å; S188-T191 WeakPolarHBondContact O-CB 3.43Å; S188-T191 PolarHBondContact O-N 2.9Å; S188-Q192 PolarHBondContact O-N 3.31Å |
| 189 | L | 95.9 | Very high | 94.9 | Very high | 60 Ų | 60 | 66.9 Ų | 66.9 | 31% | 0.314 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 174.2 | 179 | 61.6 | 0 | 0 | 0 | 111.3 | D160 E185 N186 T191 Q192 K193 | D160-L189 HydrophobicContact CB-CD2 4.09Å; E185-L189 WeakPolarHBondContact O-CB 3.02Å; E185-L189 PolarHBondContact O-N 3.17Å; N186-L189 PolarHBondContact O-N 3.29Å; L189-T191 VanDerWaalsContact C-N 3.3Å; L189-T191 PolarHBondContact O-N 3.44Å; L189-Q192 PolarHBondContact O-N 3.07Å; L189-K193 HydrophobicContact CD1-CG 3.96Å; L189-K193 HydrophobicContact CG-CG 4.36Å; L189-K193 WeakPolarHBondContact O-CB 3.29Å; L189-K193 VanDerWaalsContact O-CG 3.26Å; L189-K193 WeakPolarHBondContact O-CG 3.44Å; L189-K193 PolarHBondContact O-N 3.44Å |
| 190 | L | 96.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 68.6 Ų | 68.6 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.2 | -46.5 | 175.1 | 175.4 | 63.6 | 0 | 0 | 0 | 111.3 | V158 Y165 F173 F175 N186 V187 Q192 K193 L194 | V158-L190 HydrophobicContact CB-CD1 4.24Å; V158-L190 HydrophobicContact CG1-CD1 3.96Å; V158-L190 HydrophobicContact CG2-CD1 4.25Å; V158-L190 HydrophobicContact CG2-CD2 4.19Å; Y165-L190 HydrophobicContact CD1-CD1 4.01Å; Y165-L190 HydrophobicContact CE1-CD1 3.81Å; F173-L190 HydrophobicContact CD1-CD2 3.98Å; F173-L190 HydrophobicContact CE1-CD2 4.23Å; F173-L190 HydrophobicContact CG-CD2 4.3Å; F175-L190 HydrophobicContact CE2-CD2 3.76Å; F175-L190 HydrophobicContact CZ-CD2 3.62Å; N186-L190 WeakPolarHBondContact O-CB 3.49Å; N186-L190 PolarHBondContact O-N 3.48Å; V187-L190 PolarHBondContact O-N 3.5Å; L190-Q192 PolarHBondContact O-N 2.81Å; L190-K193 PolarHBondContact O-N 3.33Å; L190-L194 HydrophobicContact CD1-CD1 3.68Å; L190-L194 HydrophobicContact CD1-CG 3.85Å; L190-L194 HydrophobicContact CG-CD1 3.82Å; L190-L194 HydrophobicContact CG-CG 4.34Å; L190-L194 WeakPolarHBondContact O-CB 3.28Å; L190-L194 WeakPolarHBondContact O-CG 3.43Å; L190-L194 PolarHBondContact O-N 3.37Å |
| 191 | T | 96.6 | Very high | 95.6 | Very high | 58 Ų | 58 | 68.5 Ų | 68.5 | 36% | 0.356 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 179.3 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | V187 S188 L189 K195 I204 | V187-T191 WeakPolarHBondContact O-CB 3.46Å; V187-T191 PolarHBondContact O-N 2.85Å; V187-T191 PolarHBondContact O-OG1 2.76Å; S188-T191 WeakPolarHBondContact O-CB 3.43Å; S188-T191 PolarHBondContact O-N 2.9Å; L189-T191 VanDerWaalsContact C-N 3.3Å; L189-T191 PolarHBondContact O-N 3.44Å; T191-K195 WeakPolarHBondContact O-CB 3.47Å; T191-K195 PolarHBondContact O-N 3.41Å; T191-I204 HydrophobicContact CG2-CD1 4.11Å; T191-I204 WeakPolarHBondContact OG1-CD1 3.09Å |
| 192 | Q | 97.1 | Very high | 96.1 | Very high | 106 Ų | 106 | 70.2 Ų | 70.2 | 50% | 0.495 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.2 | -50.6 | 177.6 | 178.3 | -177.5 | -8.7 | 0 | 0 | 111 | S188 L189 L190 L194 K195 E196 | S188-Q192 PolarHBondContact O-N 3.31Å; L189-Q192 PolarHBondContact O-N 3.07Å; L190-Q192 PolarHBondContact O-N 2.81Å; Q192-L194 PolarHBondContact O-N 3.11Å; Q192-K195 WeakPolarHBondContact O-CB 3.36Å; Q192-K195 PolarHBondContact O-N 2.9Å; Q192-K195 VanDerWaalsContact O-N 3.14Å; Q192-E196 VanDerWaalsContact CG-OE1 3.27Å; Q192-E196 WeakPolarHBondContact CG-OE1 3.27Å; Q192-E196 PolarHBondContact NE2-OE1 3.08Å; Q192-E196 WeakPolarHBondContact O-CG 3.4Å; Q192-E196 PolarHBondContact O-N 2.88Å |
| 193 | K | 97.1 | Very high | 96.4 | Very high | 50 Ų | 50 | 73.8 Ų | 73.8 | 22% | 0.217 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.7 | -37 | -175.7 | -69.6 | -71.2 | -173.5 | -171.4 | 0 | 113 | Y165 L189 L190 K195 E196 H197 | Y165-K193 HydrophobicContact CD1-CB 3.41Å; Y165-K193 VanDerWaalsContact CD1-CB 3.41Å; Y165-K193 HydrophobicContact CD1-CG 4.44Å; Y165-K193 HydrophobicContact CD2-CB 3.58Å; Y165-K193 HydrophobicContact CD2-CD 4.17Å; Y165-K193 HydrophobicContact CD2-CG 4.1Å; Y165-K193 HydrophobicContact CE1-CB 3.37Å; Y165-K193 HydrophobicContact CE1-CG 4Å; Y165-K193 HydrophobicContact CE2-CB 3.53Å; Y165-K193 HydrophobicContact CE2-CD 3.82Å; Y165-K193 HydrophobicContact CE2-CG 3.61Å; Y165-K193 HydrophobicContact CG-CB 3.5Å; Y165-K193 VanDerWaalsContact CG-CB 3.5Å; Y165-K193 HydrophobicContact CG-CG 4.48Å; Y165-K193 VanDerWaalsContact CZ-CB 3.41Å; L189-K193 HydrophobicContact CD1-CG 3.96Å; L189-K193 HydrophobicContact CG-CG 4.36Å; L189-K193 WeakPolarHBondContact O-CB 3.29Å; L189-K193 VanDerWaalsContact O-CG 3.26Å; L189-K193 WeakPolarHBondContact O-CG 3.44Å; L189-K193 PolarHBondContact O-N 3.44Å; L190-K193 PolarHBondContact O-N 3.33Å; K193-K195 VanDerWaalsContact C-N 3.33Å; K193-E196 IonicContact NZ-OE2 3.04Å; K193-E196 PolarHBondContact O-N 3Å; K193-H197 WeakPolarHBondContact O-CB 3.33Å; K193-H197 PolarHBondContact O-CD2 3.23Å; K193-H197 PolarHBondContact O-N 2.9Å |
| 194 | L | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 171.6 | -73.4 | 174.5 | 0 | 0 | 0 | 111.4 | Y165 L167 F173 L190 Q192 E196 H197 C198 Y202 I204 | Y165-L194 HydrophobicContact CD1-CD2 4.32Å; Y165-L194 HydrophobicContact CD1-CG 4.35Å; L167-L194 HydrophobicContact CD1-CD2 3.64Å; L167-L194 HydrophobicContact CG-CD2 3.94Å; F173-L194 HydrophobicContact CD2-CD1 4.14Å; F173-L194 HydrophobicContact CE2-CD1 3.6Å; F173-L194 HydrophobicContact CZ-CD1 4.08Å; L190-L194 HydrophobicContact CD1-CD1 3.68Å; L190-L194 HydrophobicContact CD1-CG 3.85Å; L190-L194 HydrophobicContact CG-CD1 3.82Å; L190-L194 HydrophobicContact CG-CG 4.34Å; L190-L194 WeakPolarHBondContact O-CB 3.28Å; L190-L194 WeakPolarHBondContact O-CG 3.43Å; L190-L194 PolarHBondContact O-N 3.37Å; Q192-L194 PolarHBondContact O-N 3.11Å; L194-E196 VanDerWaalsContact C-N 3.29Å; L194-E196 PolarHBondContact O-N 2.8Å; L194-H197 PolarHBondContact O-N 3.34Å; L194-C198 HydrophobicContact CB-CB 4.2Å; L194-C198 HydrophobicContact CD2-CB 3.84Å; L194-C198 WeakPolarHBondContact O-CA 3.42Å; L194-C198 WeakPolarHBondContact O-CB 3.35Å; L194-C198 PolarHBondContact O-N 2.62Å; L194-Y202 HydrophobicContact CB-CD1 4.39Å; L194-Y202 HydrophobicContact CB-CD2 4.11Å; L194-Y202 HydrophobicContact CB-CE1 4.08Å; L194-Y202 HydrophobicContact CB-CE2 3.77Å; L194-Y202 HydrophobicContact CB-CG 4.41Å; L194-Y202 HydrophobicContact CD1-CD2 3.9Å; L194-Y202 HydrophobicContact CD1-CE2 4.29Å; L194-Y202 HydrophobicContact CD1-CG 4.27Å; L194-I204 HydrophobicContact CD1-CD1 4.1Å |
| 195 | K | 97 | Very high | 96.8 | Very high | 170 Ų | 170 | 71.8 Ų | 71.8 | 74% | 0.739 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63 | -35.5 | 174.4 | -173.8 | -178.8 | 177.6 | -177 | 0 | 112.8 | T191 Q192 K193 Y202 | T191-K195 WeakPolarHBondContact O-CB 3.47Å; T191-K195 PolarHBondContact O-N 3.41Å; Q192-K195 WeakPolarHBondContact O-CB 3.36Å; Q192-K195 PolarHBondContact O-N 2.9Å; Q192-K195 VanDerWaalsContact O-N 3.14Å; K193-K195 VanDerWaalsContact C-N 3.33Å; K195-Y202 WeakPolarHBondContact CA-OH 3.35Å; K195-Y202 PolarHBondContact N-OH 3.08Å |
| 196 | E | 95.8 | Very high | 96.9 | Very high | 101 Ų | 101 | 68.2 Ų | 68.2 | 47% | 0.472 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -76.1 | -37.3 | 179.8 | -71.4 | 169.7 | -172.4 | 0 | 0 | 112.9 | Q192 K193 L194 | Q192-E196 VanDerWaalsContact CG-OE1 3.27Å; Q192-E196 WeakPolarHBondContact CG-OE1 3.27Å; Q192-E196 PolarHBondContact NE2-OE1 3.08Å; Q192-E196 WeakPolarHBondContact O-CG 3.4Å; Q192-E196 PolarHBondContact O-N 2.88Å; K193-E196 IonicContact NZ-OE2 3.04Å; K193-E196 PolarHBondContact O-N 3Å; L194-E196 VanDerWaalsContact C-N 3.29Å; L194-E196 PolarHBondContact O-N 2.8Å |
| 197 | H | 94.3 | Very high | 97.1 | Very high | 78 Ų | 78 | 65.6 Ų | 65.6 | 36% | 0.361 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -120.2 | -27.6 | -164.4 | -60.2 | -61.4 | 0 | 0 | 0 | 115 | N166 K193 L194 | N166-H197 PolarHBondContact OD1-O 3.19Å; K193-H197 WeakPolarHBondContact O-CB 3.33Å; K193-H197 PolarHBondContact O-CD2 3.23Å; K193-H197 PolarHBondContact O-N 2.9Å; L194-H197 PolarHBondContact O-N 3.34Å |
| 198 | C | 96.4 | Very high | 97 | Very high | 18 Ų | 18 | 68.5 Ų | 68.5 | 12% | 0.122 | 34% | 0.341 | C | S | . | . | trans | -78.8 | 129.1 | -173.3 | -168.8 | 0 | 0 | 0 | 0 | 111.3 | Y165 L194 V200 Y202 | Y165-C198 WeakPolarHBondContact O-CA 3.26Å; Y165-C198 WeakPolarHBondContact O-CB 3.45Å; L194-C198 HydrophobicContact CB-CB 4.2Å; L194-C198 HydrophobicContact CD2-CB 3.84Å; L194-C198 WeakPolarHBondContact O-CA 3.42Å; L194-C198 WeakPolarHBondContact O-CB 3.35Å; L194-C198 PolarHBondContact O-N 2.62Å; C198-V200 VanDerWaalsContact SG-CG2 3.6Å; C198-V200 PolarHBondContact SG-O 2.76Å; C198-V200 VanDerWaalsContact SG-O 3.41Å; C198-Y202 HydrophobicContact CB-CD1 3.86Å; C198-Y202 HydrophobicContact CB-CE1 3.88Å | ||
| 199 | K | 96.6 | Very high | 96.7 | Very high | 203 Ų | 203 | 66.7 Ų | 66.7 | 88% | 0.883 | 34% | 0.335 | S | S | * | . | trans | -105.9 | -9.3 | -179.2 | -62.2 | -177.4 | -179.5 | 179 | 0 | 113.9 | ||||
| 200 | V | 97.9 | Very high | 96.7 | Very high | 42 Ų | 42 | 64 Ų | 64 | 26% | 0.255 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -101.2 | 164.5 | 176.9 | -60.8 | 0 | 0 | 0 | 0 | 109.8 | L167 N169 C198 Y202 | L167-V200 HydrophobicContact CB-CG2 3.67Å; L167-V200 WeakPolarHBondContact O-CG2 3.5Å; N169-V200 WeakPolarHBondContact O-CG2 3.33Å; C198-V200 VanDerWaalsContact SG-CG2 3.6Å; C198-V200 PolarHBondContact SG-O 2.76Å; C198-V200 VanDerWaalsContact SG-O 3.41Å; V200-Y202 PolarHBondContact O-N 3.39Å |
| 201 | E | 98.3 | Very high | 96.5 | Very high | 103 Ų | 103 | 66.4 Ų | 66.4 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | trans | -62.7 | 135.3 | 176.8 | -166.4 | 111.5 | 131.5 | 0 | 0 | 110.9 | P170 T171 W240 K243 Y244 | P170-E201 WeakPolarHBondContact CA-O 3.3Å; P170-E201 HydrophobicContact CB-CB 4.46Å; T171-E201 PolarHBondContact N-O 3.5Å; T171-E201 VanDerWaalsContact N-O 3.14Å; E201-W240 HydrophobicContact CB-CH2 4.48Å; E201-W240 HydrophobicContact CG-CH2 3.88Å; E201-K243 IonicContact OE1-NZ 3.57Å; E201-K243 PolarHBondContact OE1-NZ 3.37Å; E201-Y244 WeakPolarHBondContact CB-OH 3.36Å; E201-Y244 WeakPolarHBondContact CG-OH 3.48Å; E201-Y244 PolarHBondContact OE1-OH 2.89Å | ||
| 202 | Y | 98.5 | Very high | 96.4 | Very high | 68 Ų | 68 | 64.3 Ų | 64.3 | 27% | 0.267 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 156.1 | 166.5 | 64.2 | -85.6 | 0 | 0 | 0 | 110 | T171 L194 K195 C198 V200 I204 | T171-Y202 WeakPolarHBondContact O-CA 3.41Å; T171-Y202 WeakPolarHBondContact O-CB 3.46Å; L194-Y202 HydrophobicContact CB-CD1 4.39Å; L194-Y202 HydrophobicContact CB-CD2 4.11Å; L194-Y202 HydrophobicContact CB-CE1 4.08Å; L194-Y202 HydrophobicContact CB-CE2 3.77Å; L194-Y202 HydrophobicContact CB-CG 4.41Å; L194-Y202 HydrophobicContact CD1-CD2 3.9Å; L194-Y202 HydrophobicContact CD1-CE2 4.29Å; L194-Y202 HydrophobicContact CD1-CG 4.27Å; K195-Y202 WeakPolarHBondContact CA-OH 3.35Å; K195-Y202 PolarHBondContact N-OH 3.08Å; C198-Y202 HydrophobicContact CB-CD1 3.86Å; C198-Y202 HydrophobicContact CB-CE1 3.88Å; V200-Y202 PolarHBondContact O-N 3.39Å; Y202-I204 HydrophobicContact CD2-CD1 4.5Å; Y202-I204 HydrophobicContact CD2-CG1 4.34Å |
| 203 | Q | 98.5 | Very high | 96.1 | Very high | 79 Ų | 79 | 59.3 Ų | 59.3 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 142.1 | 170.6 | -175.6 | 173.1 | 25.4 | 0 | 0 | 109.1 | T171 L172 F173 K205 W240 | T171-Q203 PolarHBondContact O-N 3.22Å; L172-Q203 CarbonylContact C-O 3.59Å; L172-Q203 WeakPolarHBondContact CA-O 3.37Å; L172-Q203 HydrophobicContact CD1-CB 3.86Å; L172-Q203 HydrophobicContact CD1-CG 4.01Å; F173-Q203 PolarHBondContact N-O 3.1Å; Q203-K205 HydrophobicContact CG-CG 4.21Å; Q203-W240 HydrophobicContact CB-CE3 4.42Å; Q203-W240 HydrophobicContact CB-CH2 4.04Å; Q203-W240 HydrophobicContact CB-CZ3 3.63Å |
| 204 | I | 98.5 | Very high | 96 | Very high | 38 Ų | 38 | 56.9 Ų | 56.9 | 20% | 0.195 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.3 | 173.6 | -56.9 | 173.5 | 0 | 0 | 0 | 107 | F173 F175 V187 T191 L194 Y202 | F173-I204 HydrophobicContact CB-CG1 4.18Å; F173-I204 HydrophobicContact CB-CG2 4.49Å; F173-I204 HydrophobicContact CD2-CG1 4.12Å; F173-I204 HydrophobicContact CG-CG1 4.47Å; F173-I204 CarbonylContact O-C 3.56Å; F173-I204 WeakPolarHBondContact O-CA 3.42Å; F175-I204 HydrophobicContact CD2-CG2 3.85Å; F175-I204 HydrophobicContact CE2-CG2 4.03Å; V187-I204 HydrophobicContact CG1-CG2 4.01Å; T191-I204 HydrophobicContact CG2-CD1 4.11Å; T191-I204 WeakPolarHBondContact OG1-CD1 3.09Å; L194-I204 HydrophobicContact CD1-CD1 4.1Å; Y202-I204 HydrophobicContact CD2-CD1 4.5Å; Y202-I204 HydrophobicContact CD2-CG1 4.34Å |
| 205 | K | 98.5 | Very high | 95.8 | Very high | 45 Ų | 45 | 56.9 Ų | 56.9 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 120.4 | 174.9 | -68.7 | -162.5 | 169.5 | -153.5 | 0 | 109.6 | L172 F173 I174 F175 Q203 F207 E232 N236 | L172-K205 HydrophobicContact CD1-CG 4.24Å; F173-K205 PolarHBondContact O-N 3.13Å; I174-K205 CarbonylContact C-O 3.25Å; I174-K205 WeakPolarHBondContact CA-O 3.15Å; F175-K205 PolarHBondContact N-O 2.75Å; Q203-K205 HydrophobicContact CG-CG 4.21Å; K205-F207 HydrophobicContact CB-CD2 4.46Å; K205-F207 HydrophobicContact CB-CE2 3.81Å; K205-E232 IonicContact NZ-OE1 3.98Å; K205-N236 HydrophobicContact CD-CB 4.21Å; K205-N236 VanDerWaalsContact CD-ND2 3.31Å; K205-N236 WeakPolarHBondContact CD-ND2 3.43Å; K205-N236 PolarHBondContact NZ-ND2 3.48Å; K205-N236 VanDerWaalsContact NZ-ND2 3.19Å; K205-N236 PolarHBondContact NZ-OD1 2.8Å |
| 206 | T | 98.1 | Very high | 95.6 | Very high | 64 Ų | 64 | 48.9 Ų | 48.9 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.2 | 174.2 | -54.5 | 0 | 0 | 0 | 0 | 109 | F175 E177 L184 | F175-T206 HydrophobicContact CB-CG2 4.43Å; F175-T206 WeakPolarHBondContact O-CA 3.28Å; E177-T206 HydrophobicContact CB-CG2 4.41Å; L184-T206 HydrophobicContact CD2-CG2 3.86Å |
| 207 | F | 97.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.035 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 117.3 | -175.3 | -76 | -98.1 | 0 | 0 | 0 | 111.1 | I174 F175 E177 K205 Q210 F214 Y229 E232 A233 N236 | I174-F207 HydrophobicContact CG2-CD2 3.92Å; I174-F207 HydrophobicContact CG2-CE2 3.8Å; F175-F207 PolarHBondContact O-N 3.16Å; E177-F207 WeakPolarHBondContact CB-O 2.95Å; E177-F207 PolarHBondContact N-O 3.16Å; K205-F207 HydrophobicContact CB-CD2 4.46Å; K205-F207 HydrophobicContact CB-CE2 3.81Å; F207-Q210 HydrophobicContact CB-CB 4Å; F207-Q210 HydrophobicContact CB-CG 3.82Å; F207-Q210 PolarHBondContact O-N 2.99Å; F207-F214 HydrophobicContact CB-CE1 4.31Å; F207-F214 HydrophobicContact CB-CE2 4.27Å; F207-F214 HydrophobicContact CB-CZ 3.78Å; F207-F214 HydrophobicContact CD1-CE2 4.28Å; F207-F214 HydrophobicContact CD1-CZ 4.23Å; F207-F214 HydrophobicContact CD2-CE1 4.49Å; F207-F214 HydrophobicContact CD2-CE2 4.48Å; F207-F214 AromaticContact CD2-CZ 3.68Å; F207-F214 HydrophobicContact CD2-CZ 3.68Å; F207-F214 HydrophobicContact CE2-CZ 4.35Å; F207-F214 HydrophobicContact CG-CE2 4.08Å; F207-F214 AromaticContact CG-CZ 3.61Å; F207-F214 HydrophobicContact CG-CZ 3.61Å; F207-Y229 AromaticContact CD1-CD1 3.95Å; F207-Y229 HydrophobicContact CD1-CD1 3.95Å; F207-Y229 HydrophobicContact CD1-CG 4.48Å; F207-E232 HydrophobicContact CE1-CB 4.04Å; F207-E232 HydrophobicContact CE1-CG 4.2Å; F207-A233 HydrophobicContact CE1-CB 4.16Å; F207-A233 HydrophobicContact CE2-CB 4.02Å; F207-A233 HydrophobicContact CZ-CB 3.77Å; F207-N236 WeakPolarHBondContact CZ-ND2 3.41Å |
| 208 | S | 94.6 | Very high | 94.6 | Very high | 67 Ų | 67 | 42.6 Ų | 42.6 | 47% | 0.469 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 141.9 | -178.3 | -177.8 | 0 | 0 | 0 | 0 | 112 | E177 Q210 | E177-S208 WeakPolarHBondContact OE2-CA 3.5Å; E177-S208 VanDerWaalsContact OE2-CB 3.28Å; E177-S208 WeakPolarHBondContact OE2-CB 3.46Å; E177-S208 PolarHBondContact OE2-OG 3.34Å; S208-Q210 PolarHBondContact O-N 2.84Å |
| 209 | G | 91.1 | Very high | 93 | Very high | 37 Ų | 37 | 45.4 Ų | 45.4 | 38% | 0.381 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | -11.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E177 N178 | E177-G209 PolarHBondContact OE2-N 3.1Å; N178-G209 WeakPolarHBondContact ND2-CA 3.38Å; N178-G209 PolarHBondContact ND2-O 3.44Å |
| 210 | Q | 94.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | trans | -83.5 | 158 | -176.4 | -63.4 | -51.7 | -47 | 0 | 0 | 112.7 | A176 N178 F207 S208 F214 K218 D226 Y229 | A176-Q210 VanDerWaalsContact CB-C 3.47Å; A176-Q210 HydrophobicContact CB-CB 4.01Å; A176-Q210 VanDerWaalsContact CB-O 3.26Å; A176-Q210 WeakPolarHBondContact CB-O 3.36Å; N178-Q210 WeakPolarHBondContact CA-O 3.45Å; N178-Q210 WeakPolarHBondContact CB-O 3.23Å; N178-Q210 PolarHBondContact N-O 3.24Å; F207-Q210 HydrophobicContact CB-CB 4Å; F207-Q210 HydrophobicContact CB-CG 3.82Å; F207-Q210 PolarHBondContact O-N 2.99Å; S208-Q210 PolarHBondContact O-N 2.84Å; Q210-F214 HydrophobicContact CB-CB 4.22Å; Q210-F214 HydrophobicContact CB-CD1 3.84Å; Q210-F214 HydrophobicContact CB-CD2 4.08Å; Q210-F214 HydrophobicContact CB-CE1 4.18Å; Q210-F214 HydrophobicContact CB-CE2 4.41Å; Q210-F214 HydrophobicContact CB-CG 3.78Å; Q210-F214 HydrophobicContact CB-CZ 4.46Å; Q210-F214 HydrophobicContact CG-CD1 4.46Å; Q210-F214 HydrophobicContact CG-CD2 3.81Å; Q210-F214 HydrophobicContact CG-CE2 4.06Å; Q210-F214 HydrophobicContact CG-CG 4.03Å; Q210-F214 HydrophobicContact CG-CZ 4.49Å; Q210-K218 VanDerWaalsContact OE1-NZ 3.16Å; Q210-D226 PolarHBondContact NE2-OD1 2.7Å; Q210-D226 PolarHBondContact OE1-OD1 3.04Å; Q210-Y229 HydrophobicContact CG-CD2 4.48Å; Q210-Y229 HydrophobicContact CG-CG 4.1Å; Q210-Y229 VanDerWaalsContact NE2-CD2 3.25Å | ||
| 211 | T | 93.1 | Very high | 89.4 | Confident | 56 Ų | 56 | 41 Ų | 41 | 34% | 0.344 | 21% | 0.214 | S | C | . | . | trans | -121.7 | 169 | -177.9 | 57 | 0 | 0 | 0 | 0 | 111.2 | N178 G213 F214 K218 | N178-T211 HydrophobicContact CB-CG2 4.03Å; T211-G213 PolarHBondContact O-N 2.76Å; T211-F214 WeakPolarHBondContact O-CB 3.38Å; T211-F214 WeakPolarHBondContact O-CD1 3.32Å; T211-F214 PolarHBondContact O-N 2.84Å; T211-F214 VanDerWaalsContact O-N 3.16Å; T211-K218 WeakPolarHBondContact OG1-CE 3.39Å | ||
| 212 | H | 93.8 | Very high | 87.5 | Confident | 14 Ų | 14 | 39.1 Ų | 39.1 | 7% | 0.065 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 133.7 | 179.7 | -158.9 | 85 | 0 | 0 | 0 | 111.9 | C132 Y155 D179 V181 F214 R217 | C132-H212 WeakPolarHBondContact CB-NE2 3.44Å; C132-H212 PolarHBondContact SG-NE2 3.11Å; Y155-H212 AromaticContact CD2-CD2 3.99Å; Y155-H212 AromaticContact CD2-CE1 3.58Å; Y155-H212 AromaticContact CD2-NE2 3.41Å; Y155-H212 WeakPolarHBondContact CD2-NE2 3.11Å; Y155-H212 AromaticContact CG-CE1 3.89Å; Y155-H212 PolarHBondContact O-CE1 2.8Å; D179-H212 VanDerWaalsContact CG-ND1 3.3Å; D179-H212 WeakPolarHBondContact OD1-CB 3.4Å; D179-H212 IonicContact OD1-CG 3.36Å; D179-H212 IonicContact OD1-ND1 2.67Å; D179-H212 PolarHBondContact OD1-ND1 3.12Å; D179-H212 VanDerWaalsContact OD1-ND1 3.12Å; D179-H212 IonicContact OD2-CE1 3.92Å; D179-H212 IonicContact OD2-CG 3.93Å; D179-H212 IonicContact OD2-ND1 2.74Å; D179-H212 PolarHBondContact OD2-ND1 2.74Å; V181-H212 HydrophobicContact CG2-CB 4.15Å; H212-F214 VanDerWaalsContact C-N 3.31Å; H212-F214 PolarHBondContact O-N 3.33Å; H212-R217 VanDerWaalsContact C-NH2 3.27Å; H212-R217 PolarHBondContact CD2-NH2 3.28Å; H212-R217 PolarHBondContact O-NH2 2.98Å |
| 213 | G | 92.2 | Very high | 86 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 7.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y155 T211 V215 H216 R217 | Y155-G213 VanDerWaalsContact CE1-CA 3.45Å; T211-G213 PolarHBondContact O-N 2.76Å; G213-V215 PolarHBondContact O-N 2.94Å; G213-V215 VanDerWaalsContact O-N 3.08Å; G213-H216 PolarHBondContact O-N 3.41Å; G213-H216 PolarHBondContact O-ND1 2.58Å; G213-R217 WeakPolarHBondContact O-CB 3.26Å; G213-R217 PolarHBondContact O-N 2.87Å |
| 214 | F | 94.1 | Very high | 85 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.7 | -32.7 | -178.7 | 77.7 | -80.7 | 0 | 0 | 0 | 113.6 | I174 A176 F207 Q210 T211 H212 H216 K218 I230 A233 | I174-F214 HydrophobicContact CG2-CE1 4.25Å; I174-F214 HydrophobicContact CG2-CZ 4.02Å; A176-F214 HydrophobicContact CB-CD1 4.05Å; A176-F214 HydrophobicContact CB-CE1 4.15Å; F207-F214 HydrophobicContact CB-CE1 4.31Å; F207-F214 HydrophobicContact CB-CE2 4.27Å; F207-F214 HydrophobicContact CB-CZ 3.78Å; F207-F214 HydrophobicContact CD1-CE2 4.28Å; F207-F214 HydrophobicContact CD1-CZ 4.23Å; F207-F214 HydrophobicContact CD2-CE1 4.49Å; F207-F214 HydrophobicContact CD2-CE2 4.48Å; F207-F214 AromaticContact CD2-CZ 3.68Å; F207-F214 HydrophobicContact CD2-CZ 3.68Å; F207-F214 HydrophobicContact CE2-CZ 4.35Å; F207-F214 HydrophobicContact CG-CE2 4.08Å; F207-F214 AromaticContact CG-CZ 3.61Å; F207-F214 HydrophobicContact CG-CZ 3.61Å; Q210-F214 HydrophobicContact CB-CB 4.22Å; Q210-F214 HydrophobicContact CB-CD1 3.84Å; Q210-F214 HydrophobicContact CB-CD2 4.08Å; Q210-F214 HydrophobicContact CB-CE1 4.18Å; Q210-F214 HydrophobicContact CB-CE2 4.41Å; Q210-F214 HydrophobicContact CB-CG 3.78Å; Q210-F214 HydrophobicContact CB-CZ 4.46Å; Q210-F214 HydrophobicContact CG-CD1 4.46Å; Q210-F214 HydrophobicContact CG-CD2 3.81Å; Q210-F214 HydrophobicContact CG-CE2 4.06Å; Q210-F214 HydrophobicContact CG-CG 4.03Å; Q210-F214 HydrophobicContact CG-CZ 4.49Å; T211-F214 WeakPolarHBondContact O-CB 3.38Å; T211-F214 WeakPolarHBondContact O-CD1 3.32Å; T211-F214 PolarHBondContact O-N 2.84Å; T211-F214 VanDerWaalsContact O-N 3.16Å; H212-F214 VanDerWaalsContact C-N 3.31Å; H212-F214 PolarHBondContact O-N 3.33Å; F214-H216 PolarHBondContact O-N 2.78Å; F214-K218 HydrophobicContact CB-CD 3.91Å; F214-K218 HydrophobicContact CB-CG 4.45Å; F214-I230 HydrophobicContact CD2-CG1 4.19Å; F214-I230 WeakPolarHBondContact O-CG1 3.15Å; F214-A233 HydrophobicContact CE2-CB 3.7Å; F214-A233 HydrophobicContact CZ-CB 3.84Å |
| 215 | V | 94.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -40 | -175.7 | -179.2 | 0 | 0 | 0 | 0 | 113.4 | M62 F131 V154 Y155 I174 G213 A233 R234 | M62-V215 HydrophobicContact CE-CG1 4.21Å; F131-V215 HydrophobicContact CE1-CG1 4.14Å; V154-V215 HydrophobicContact CG1-CB 4Å; V154-V215 HydrophobicContact CG1-CG1 4.38Å; V154-V215 HydrophobicContact CG1-CG2 3.6Å; Y155-V215 HydrophobicContact CE1-CB 4.1Å; Y155-V215 HydrophobicContact CE1-CG2 4.07Å; I174-V215 HydrophobicContact CG2-CG2 4.24Å; G213-V215 PolarHBondContact O-N 2.94Å; G213-V215 VanDerWaalsContact O-N 3.08Å; V215-A233 HydrophobicContact CG2-CB 3.73Å; V215-R234 HydrophobicContact CG1-CG 3.95Å; V215-R234 VanDerWaalsContact O-CZ 3.31Å; V215-R234 PolarHBondContact O-NE 3.47Å; V215-R234 PolarHBondContact O-NH2 2.85Å |
| 216 | H | 92.3 | Very high | 83.7 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -124.5 | -22.9 | -173.9 | 73.6 | -39.4 | 0 | 0 | 0 | 114.2 | D50 N58 M62 F131 Y155 G213 F214 | D50-H216 IonicContact OD2-CD2 3.55Å; D50-H216 IonicContact OD2-CE1 3.66Å; D50-H216 PolarHBondContact OD2-CE1 3.06Å; D50-H216 IonicContact OD2-NE2 2.74Å; D50-H216 PolarHBondContact OD2-NE2 2.65Å; N58-H216 VanDerWaalsContact CB-O 3.32Å; N58-H216 WeakPolarHBondContact CB-O 3.21Å; N58-H216 PolarHBondContact ND2-O 2.74Å; M62-H216 HydrophobicContact CG-CB 3.55Å; M62-H216 HydrophobicContact SD-CB 4.17Å; F131-H216 HydrophobicContact CE1-CB 4.48Å; Y155-H216 AromaticContact CZ-CE1 3.69Å; Y155-H216 AromaticContact CZ-ND1 3.72Å; Y155-H216 PolarHBondContact OH-CE1 3.48Å; Y155-H216 PolarHBondContact OH-ND1 3.25Å; G213-H216 PolarHBondContact O-N 3.41Å; G213-H216 PolarHBondContact O-ND1 2.58Å; F214-H216 PolarHBondContact O-N 2.78Å |
| 217 | R | 88.2 | Confident | 83.2 | Confident | 9 Ų | 9 | 40 Ų | 40 | 3% | 0.034 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -92.7 | -16.8 | -179.7 | -69.3 | 176.7 | -44 | 163 | 11.2 | 114.3 | D11 I12 H14 H212 G213 | D11-R217 PolarHBondContact O-NH1 3.38Å; D11-R217 PolarHBondContact O-NH2 2.77Å; I12-R217 WeakPolarHBondContact O-CB 3.37Å; I12-R217 VanDerWaalsContact O-CD 3.29Å; I12-R217 WeakPolarHBondContact O-CD 3.41Å; I12-R217 WeakPolarHBondContact O-CG 3.33Å; H14-R217 WeakPolarHBondContact CA-O 3.46Å; H14-R217 PolarHBondContact N-O 3.21Å; H212-R217 VanDerWaalsContact C-NH2 3.27Å; H212-R217 PolarHBondContact CD2-NH2 3.28Å; H212-R217 PolarHBondContact O-NH2 2.98Å; G213-R217 WeakPolarHBondContact O-CB 3.26Å; G213-R217 PolarHBondContact O-N 2.87Å |
| 218 | K | 80.4 | Confident | 83 | Confident | 38 Ų | 38 | 43.1 Ų | 43.1 | 17% | 0.165 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -90.2 | 138.5 | 173.2 | -70.4 | -173.5 | -177.6 | -175.6 | 0 | 110.8 | Q210 T211 F214 D226 I230 | Q210-K218 VanDerWaalsContact OE1-NZ 3.16Å; T211-K218 WeakPolarHBondContact OG1-CE 3.39Å; F214-K218 HydrophobicContact CB-CD 3.91Å; F214-K218 HydrophobicContact CB-CG 4.45Å; K218-D226 HydrophobicContact CD-CB 4.27Å; K218-D226 VanDerWaalsContact CD-OD2 3.31Å; K218-D226 WeakPolarHBondContact CD-OD2 3.41Å; K218-D226 WeakPolarHBondContact CE-OD2 3.37Å; K218-D226 VanDerWaalsContact NZ-CG 3.26Å; K218-D226 IonicContact NZ-OD1 3.42Å; K218-D226 PolarHBondContact NZ-OD1 3.22Å; K218-D226 IonicContact NZ-OD2 2.77Å; K218-D226 PolarHBondContact NZ-OD2 3Å; K218-I230 HydrophobicContact CB-CD1 3.7Å |
| 219 | R | 63.3 | Low | 82.9 | Confident | 77 Ų | 77 | 44.2 Ų | 44.2 | 29% | 0.291 | 26% | 0.255 | S | S | . | . | trans | -85 | 130.2 | 171.9 | -86.5 | 179.6 | 72.1 | 163.3 | 4.9 | 110.3 | H14 L16 D221 C222 S223 | H14-R219 HydrophobicContact CB-CB 4.22Å; H14-R219 HydrophobicContact CB-CG 3.75Å; L16-R219 HydrophobicContact CD2-CG 3.42Å; L16-R219 VanDerWaalsContact CD2-CG 3.42Å; R219-D221 VanDerWaalsContact C-N 3.28Å; R219-D221 VanDerWaalsContact CB-OD1 3.32Å; R219-D221 WeakPolarHBondContact CB-OD1 3.41Å; R219-D221 IonicContact CZ-OD1 2.7Å; R219-D221 IonicContact CZ-OD2 2.68Å; R219-D221 IonicContact NE-OD1 2.98Å; R219-D221 PolarHBondContact NE-OD1 3.36Å; R219-D221 IonicContact NE-OD2 3.86Å; R219-D221 IonicContact NH2-OD1 2.9Å; R219-D221 PolarHBondContact NH2-OD1 3.03Å; R219-D221 IonicContact NH2-OD2 3.79Å; R219-D221 PolarHBondContact NH2-OD2 3.14Å; R219-D221 PolarHBondContact O-N 3.27Å; R219-C222 HydrophobicContact CB-CB 3.95Å; R219-C222 PolarHBondContact NE-SG 2.91Å; R219-C222 PolarHBondContact O-N 3.48Å; R219-S223 PolarHBondContact O-N 3.41Å | ||
| 220 | E | 60.9 | Low | 83 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 22% | 0.22 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -33.8 | 177.5 | -70.8 | 167.8 | -141.5 | 0 | 0 | 113 | K227 I230 R234 | E220-K227 HydrophobicContact CB-CB 4.34Å; E220-K227 HydrophobicContact CB-CD 4.02Å; E220-K227 HydrophobicContact CB-CG 4.04Å; E220-K227 HydrophobicContact CG-CG 4.14Å; E220-K227 IonicContact OE2-NZ 2.94Å; E220-K227 PolarHBondContact OE2-NZ 3.48Å; E220-I230 HydrophobicContact CG-CB 4.49Å; E220-I230 HydrophobicContact CG-CD1 4.42Å; E220-I230 HydrophobicContact CG-CG2 4.06Å; E220-R234 IonicContact OE1-CZ 3.88Å; E220-R234 IonicContact OE1-NH1 3.99Å; E220-R234 PolarHBondContact OE1-NH1 3.1Å; E220-R234 IonicContact OE1-NH2 2.7Å |
| 221 | D | 58.1 | Low | 83 | Confident | 106 Ų | 106 | 44.8 Ų | 44.8 | 57% | 0.567 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -19.7 | -177.6 | 62.8 | -29.9 | 0 | 0 | 0 | 113.4 | R219 | R219-D221 VanDerWaalsContact C-N 3.28Å; R219-D221 VanDerWaalsContact CB-OD1 3.32Å; R219-D221 WeakPolarHBondContact CB-OD1 3.41Å; R219-D221 IonicContact CZ-OD1 2.7Å; R219-D221 IonicContact CZ-OD2 2.68Å; R219-D221 IonicContact NE-OD1 2.98Å; R219-D221 PolarHBondContact NE-OD1 3.36Å; R219-D221 IonicContact NE-OD2 3.86Å; R219-D221 IonicContact NH2-OD1 2.9Å; R219-D221 PolarHBondContact NH2-OD1 3.03Å; R219-D221 IonicContact NH2-OD2 3.79Å; R219-D221 PolarHBondContact NH2-OD2 3.14Å; R219-D221 PolarHBondContact O-N 3.27Å |
| 222 | C | 58.5 | Low | 83.2 | Confident | 64 Ų | 64 | 45.3 Ų | 45.3 | 43% | 0.432 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -19 | 175.4 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | H14 R219 | H14-C222 VanDerWaalsContact CE1-CB 3.49Å; H14-C222 WeakPolarHBondContact CE1-CB 3.32Å; R219-C222 HydrophobicContact CB-CB 3.95Å; R219-C222 PolarHBondContact NE-SG 2.91Å; R219-C222 PolarHBondContact O-N 3.48Å |
| 223 | S | 66.4 | Low | 83.4 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | trans | -130.2 | 75.1 | -179.6 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | R219 A225 D226 K227 | R219-S223 PolarHBondContact O-N 3.41Å; S223-A225 PolarHBondContact O-N 3.41Å; S223-A225 VanDerWaalsContact O-N 3.11Å; S223-D226 WeakPolarHBondContact CB-OD2 3.44Å; S223-D226 PolarHBondContact O-N 3.07Å; S223-K227 PolarHBondContact O-N 3.4Å | ||
| 224 | P | 76.9 | Confident | 83.6 | Confident | 103 Ų | 103 | 45.5 Ų | 45.5 | 67% | 0.669 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -31.9 | -178 | -26.6 | 34.7 | 0 | 0 | 0 | 114.1 | P228 | P224-P228 WeakPolarHBondContact O-CD 3.43Š|
| 225 | A | 84.2 | Confident | 83.8 | Confident | 79 Ų | 79 | 51.9 Ų | 51.9 | 65% | 0.653 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -29.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S223 | S223-A225 PolarHBondContact O-N 3.41Å; S223-A225 VanDerWaalsContact O-N 3.11Å |
| 226 | D | 85.3 | Confident | 84 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -25.5 | 179 | -67.7 | -34.3 | 0 | 0 | 0 | 112.2 | Q210 K218 S223 P228 Y229 I230 | Q210-D226 PolarHBondContact NE2-OD1 2.7Å; Q210-D226 PolarHBondContact OE1-OD1 3.04Å; K218-D226 HydrophobicContact CD-CB 4.27Å; K218-D226 VanDerWaalsContact CD-OD2 3.31Å; K218-D226 WeakPolarHBondContact CD-OD2 3.41Å; K218-D226 WeakPolarHBondContact CE-OD2 3.37Å; K218-D226 VanDerWaalsContact NZ-CG 3.26Å; K218-D226 IonicContact NZ-OD1 3.42Å; K218-D226 PolarHBondContact NZ-OD1 3.22Å; K218-D226 IonicContact NZ-OD2 2.77Å; K218-D226 PolarHBondContact NZ-OD2 3Å; S223-D226 WeakPolarHBondContact CB-OD2 3.44Å; S223-D226 PolarHBondContact O-N 3.07Å; D226-P228 VanDerWaalsContact C-CD 3.49Å; D226-Y229 PolarHBondContact O-N 3.22Å; D226-I230 HydrophobicContact CB-CD1 4.07Å; D226-I230 HydrophobicContact CB-CG1 4.45Å; D226-I230 WeakPolarHBondContact O-CG1 3.39Å; D226-I230 PolarHBondContact O-N 2.72Å |
| 227 | K | 87.6 | Confident | 84.3 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -48.2 | -48.3 | -175.8 | 175.8 | 170.7 | 176.7 | 42 | 0 | 113.7 | E220 S223 Y229 I230 D231 | E220-K227 HydrophobicContact CB-CB 4.34Å; E220-K227 HydrophobicContact CB-CD 4.02Å; E220-K227 HydrophobicContact CB-CG 4.04Å; E220-K227 HydrophobicContact CG-CG 4.14Å; E220-K227 IonicContact OE2-NZ 2.94Å; E220-K227 PolarHBondContact OE2-NZ 3.48Å; S223-K227 PolarHBondContact O-N 3.4Å; K227-Y229 VanDerWaalsContact C-N 3.27Å; K227-Y229 PolarHBondContact O-N 2.9Å; K227-I230 PolarHBondContact O-N 3.36Å; K227-D231 WeakPolarHBondContact CE-OD2 3.44Å; K227-D231 WeakPolarHBondContact CG-OD2 3.49Å; K227-D231 VanDerWaalsContact NZ-CG 3.26Å; K227-D231 IonicContact NZ-OD1 3.48Å; K227-D231 PolarHBondContact NZ-OD1 2.88Å; K227-D231 IonicContact NZ-OD2 3.51Å; K227-D231 PolarHBondContact NZ-OD2 3Å; K227-D231 WeakPolarHBondContact O-CB 3.31Å; K227-D231 VanDerWaalsContact O-CG 3.22Å; K227-D231 PolarHBondContact O-N 3.27Å |
| 228 | P | 92.6 | Very high | 84.8 | Confident | 75 Ų | 75 | 52.6 Ų | 52.6 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.5 | -38.5 | 179.8 | -24.9 | 35.2 | 0 | 0 | 0 | 113.3 | P224 D226 E232 | P224-P228 WeakPolarHBondContact O-CD 3.43Å; D226-P228 VanDerWaalsContact C-CD 3.49Å; P228-E232 VanDerWaalsContact O-CB 3.27Å; P228-E232 WeakPolarHBondContact O-CB 3.29Å; P228-E232 PolarHBondContact O-N 2.9Å |
| 229 | Y | 94.4 | Very high | 85.7 | Confident | 90 Ų | 90 | 55.6 Ų | 55.6 | 35% | 0.353 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -74.3 | -38.1 | 179.6 | -58.9 | -75.1 | 0 | 0 | 0 | 112 | F207 Q210 D226 K227 A233 | F207-Y229 AromaticContact CD1-CD1 3.95Å; F207-Y229 HydrophobicContact CD1-CD1 3.95Å; F207-Y229 HydrophobicContact CD1-CG 4.48Å; Q210-Y229 HydrophobicContact CG-CD2 4.48Å; Q210-Y229 HydrophobicContact CG-CG 4.1Å; Q210-Y229 VanDerWaalsContact NE2-CD2 3.25Å; D226-Y229 PolarHBondContact O-N 3.22Å; K227-Y229 VanDerWaalsContact C-N 3.27Å; K227-Y229 PolarHBondContact O-N 2.9Å; Y229-A233 VanDerWaalsContact O-CB 3.29Å; Y229-A233 WeakPolarHBondContact O-CB 3.48Å; Y229-A233 PolarHBondContact O-N 2.92Å |
| 230 | I | 93 | Very high | 87.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.4 | -51.5 | 172.8 | -63.1 | 172.2 | 0 | 0 | 0 | 109.5 | F214 K218 E220 D226 K227 E232 A233 R234 | F214-I230 HydrophobicContact CD2-CG1 4.19Å; F214-I230 WeakPolarHBondContact O-CG1 3.15Å; K218-I230 HydrophobicContact CB-CD1 3.7Å; E220-I230 HydrophobicContact CG-CB 4.49Å; E220-I230 HydrophobicContact CG-CD1 4.42Å; E220-I230 HydrophobicContact CG-CG2 4.06Å; D226-I230 HydrophobicContact CB-CD1 4.07Å; D226-I230 HydrophobicContact CB-CG1 4.45Å; D226-I230 WeakPolarHBondContact O-CG1 3.39Å; D226-I230 PolarHBondContact O-N 2.72Å; K227-I230 PolarHBondContact O-N 3.36Å; I230-E232 VanDerWaalsContact C-N 3.35Å; I230-E232 PolarHBondContact O-N 3.19Å; I230-A233 PolarHBondContact O-N 3.02Å; I230-R234 VanDerWaalsContact CG2-CZ 3.41Å; I230-R234 VanDerWaalsContact O-CG 3.28Å; I230-R234 WeakPolarHBondContact O-CG 3.4Å; I230-R234 PolarHBondContact O-N 3.41Å |
| 231 | D | 93.6 | Very high | 89.1 | Confident | 52 Ų | 52 | 50.1 Ų | 50.1 | 28% | 0.278 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | -179.9 | -68.7 | -14.8 | 0 | 0 | 0 | 111.2 | K227 R235 | K227-D231 WeakPolarHBondContact CE-OD2 3.44Å; K227-D231 WeakPolarHBondContact CG-OD2 3.49Å; K227-D231 VanDerWaalsContact NZ-CG 3.26Å; K227-D231 IonicContact NZ-OD1 3.48Å; K227-D231 PolarHBondContact NZ-OD1 2.88Å; K227-D231 IonicContact NZ-OD2 3.51Å; K227-D231 PolarHBondContact NZ-OD2 3Å; K227-D231 WeakPolarHBondContact O-CB 3.31Å; K227-D231 VanDerWaalsContact O-CG 3.22Å; K227-D231 PolarHBondContact O-N 3.27Å; D231-R235 VanDerWaalsContact O-CB 3.27Å; D231-R235 WeakPolarHBondContact O-CB 3.42Å; D231-R235 PolarHBondContact O-N 3.3Å |
| 232 | E | 97.1 | Very high | 91 | Very high | 66 Ų | 66 | 49.1 Ų | 49.1 | 31% | 0.308 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 177.8 | -165.3 | -156.7 | 145.6 | 0 | 0 | 112 | K205 F207 P228 I230 R234 R235 N236 | K205-E232 IonicContact NZ-OE1 3.98Å; F207-E232 HydrophobicContact CE1-CB 4.04Å; F207-E232 HydrophobicContact CE1-CG 4.2Å; P228-E232 VanDerWaalsContact O-CB 3.27Å; P228-E232 WeakPolarHBondContact O-CB 3.29Å; P228-E232 PolarHBondContact O-N 2.9Å; I230-E232 VanDerWaalsContact C-N 3.35Å; I230-E232 PolarHBondContact O-N 3.19Å; E232-R234 VanDerWaalsContact C-N 3.34Å; E232-R234 PolarHBondContact O-N 2.87Å; E232-R235 WeakPolarHBondContact O-CB 3.5Å; E232-R235 PolarHBondContact O-N 3.47Å; E232-N236 WeakPolarHBondContact O-CB 3.27Å; E232-N236 PolarHBondContact O-N 2.96Å; E232-N236 PolarHBondContact O-ND2 3.01Å; E232-N236 PolarHBondContact OE1-ND2 2.95Å |
| 233 | A | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I174 F207 F214 V215 Y229 I230 N236 L237 | I174-A233 HydrophobicContact CD1-CB 4.47Å; I174-A233 HydrophobicContact CG2-CB 4.36Å; F207-A233 HydrophobicContact CE1-CB 4.16Å; F207-A233 HydrophobicContact CE2-CB 4.02Å; F207-A233 HydrophobicContact CZ-CB 3.77Å; F214-A233 HydrophobicContact CE2-CB 3.7Å; F214-A233 HydrophobicContact CZ-CB 3.84Å; V215-A233 HydrophobicContact CG2-CB 3.73Å; Y229-A233 VanDerWaalsContact O-CB 3.29Å; Y229-A233 WeakPolarHBondContact O-CB 3.48Å; Y229-A233 PolarHBondContact O-N 2.92Å; I230-A233 PolarHBondContact O-N 3.02Å; A233-N236 PolarHBondContact O-N 3.43Å; A233-L237 PolarHBondContact O-N 3.25Å; A233-L237 VanDerWaalsContact O-N 3.1Å |
| 234 | R | 97.3 | Very high | 94.4 | Very high | 19 Ų | 19 | 52.9 Ų | 52.9 | 7% | 0.072 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 175.9 | -66.7 | -178.9 | -176.6 | 167.5 | 9.2 | 112 | M62 M65 V215 E220 I230 E232 L237 I238 | M62-R234 HydrophobicContact CE-CG 3.92Å; M62-R234 HydrophobicContact SD-CG 4.39Å; M65-R234 HydrophobicContact CE-CB 4.22Å; M65-R234 HydrophobicContact CE-CG 4.43Å; V215-R234 HydrophobicContact CG1-CG 3.95Å; V215-R234 VanDerWaalsContact O-CZ 3.31Å; V215-R234 PolarHBondContact O-NE 3.47Å; V215-R234 PolarHBondContact O-NH2 2.85Å; E220-R234 IonicContact OE1-CZ 3.88Å; E220-R234 IonicContact OE1-NH1 3.99Å; E220-R234 PolarHBondContact OE1-NH1 3.1Å; E220-R234 IonicContact OE1-NH2 2.7Å; I230-R234 VanDerWaalsContact CG2-CZ 3.41Å; I230-R234 VanDerWaalsContact O-CG 3.28Å; I230-R234 WeakPolarHBondContact O-CG 3.4Å; I230-R234 PolarHBondContact O-N 3.41Å; E232-R234 VanDerWaalsContact C-N 3.34Å; E232-R234 PolarHBondContact O-N 2.87Å; R234-L237 WeakPolarHBondContact O-CB 3.37Å; R234-L237 PolarHBondContact O-N 3.42Å; R234-I238 WeakPolarHBondContact O-CG1 3.42Å; R234-I238 PolarHBondContact O-N 2.93Å; R234-I238 VanDerWaalsContact O-N 3.11Å |
| 235 | R | 98 | Very high | 95.2 | Very high | 135 Ų | 135 | 48.4 Ų | 48.4 | 51% | 0.509 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 174.7 | -162.3 | -163.7 | -36.1 | 158.8 | 13.7 | 111.6 | D231 E232 L237 I238 E239 | D231-R235 VanDerWaalsContact O-CB 3.27Å; D231-R235 WeakPolarHBondContact O-CB 3.42Å; D231-R235 PolarHBondContact O-N 3.3Å; E232-R235 WeakPolarHBondContact O-CB 3.5Å; E232-R235 PolarHBondContact O-N 3.47Å; R235-L237 VanDerWaalsContact C-N 3.28Å; R235-L237 PolarHBondContact O-N 2.74Å; R235-I238 PolarHBondContact O-N 2.92Å; R235-I238 VanDerWaalsContact O-N 3.08Å; R235-E239 VanDerWaalsContact CD-OE1 3.26Å; R235-E239 WeakPolarHBondContact CD-OE1 3.45Å; R235-E239 HydrophobicContact CG-CG 4.39Å; R235-E239 WeakPolarHBondContact CG-OE1 3.26Å; R235-E239 WeakPolarHBondContact O-CB 3.31Å; R235-E239 WeakPolarHBondContact O-CG 3.39Å; R235-E239 PolarHBondContact O-N 3.27Å |
| 236 | N | 98.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.064 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.5 | -40.3 | 177.3 | -70.6 | -40.9 | 0 | 0 | 0 | 112.1 | L172 K205 F207 E232 A233 W240 | L172-N236 HydrophobicContact CD2-CB 4.27Å; K205-N236 HydrophobicContact CD-CB 4.21Å; K205-N236 VanDerWaalsContact CD-ND2 3.31Å; K205-N236 WeakPolarHBondContact CD-ND2 3.43Å; K205-N236 PolarHBondContact NZ-ND2 3.48Å; K205-N236 VanDerWaalsContact NZ-ND2 3.19Å; K205-N236 PolarHBondContact NZ-OD1 2.8Å; F207-N236 WeakPolarHBondContact CZ-ND2 3.41Å; E232-N236 WeakPolarHBondContact O-CB 3.27Å; E232-N236 PolarHBondContact O-N 2.96Å; E232-N236 PolarHBondContact O-ND2 3.01Å; E232-N236 PolarHBondContact OE1-ND2 2.95Å; A233-N236 PolarHBondContact O-N 3.43Å; N236-W240 WeakPolarHBondContact O-CB 3.38Å; N236-W240 PolarHBondContact O-N 3.39Å |
| 237 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.4 | -49.5 | 173 | 175.1 | 165 | 0 | 0 | 0 | 111.3 | M62 I66 V129 V152 A233 R234 R235 W240 L241 | M62-L237 HydrophobicContact CE-CD1 4.43Å; I66-L237 HydrophobicContact CD1-CD2 3.98Å; I66-L237 HydrophobicContact CG1-CD2 3.91Å; V129-L237 HydrophobicContact CG1-CD1 3.62Å; V129-L237 HydrophobicContact CG1-CG 4.41Å; V129-L237 HydrophobicContact CG2-CD1 4.39Å; V129-L237 HydrophobicContact CG2-CD2 4.28Å; V129-L237 HydrophobicContact CG2-CG 4.32Å; V152-L237 HydrophobicContact CB-CG 4.3Å; V152-L237 HydrophobicContact CG1-CB 4.17Å; V152-L237 HydrophobicContact CG1-CD1 4.15Å; V152-L237 HydrophobicContact CG1-CG 3.94Å; V152-L237 HydrophobicContact CG2-CG 4.2Å; A233-L237 PolarHBondContact O-N 3.25Å; A233-L237 VanDerWaalsContact O-N 3.1Å; R234-L237 WeakPolarHBondContact O-CB 3.37Å; R234-L237 PolarHBondContact O-N 3.42Å; R235-L237 VanDerWaalsContact C-N 3.28Å; R235-L237 PolarHBondContact O-N 2.74Å; L237-W240 PolarHBondContact O-N 2.88Å; L237-L241 HydrophobicContact CD2-CD1 3.73Å; L237-L241 HydrophobicContact CD2-CG 4.44Å; L237-L241 WeakPolarHBondContact O-CG 3.44Å; L237-L241 PolarHBondContact O-N 2.88Å |
| 238 | I | 98.4 | Very high | 96.8 | Very high | 12 Ų | 12 | 46.4 Ų | 46.4 | 6% | 0.062 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.4 | -42.6 | -179.8 | -64.3 | -61.3 | 0 | 0 | 0 | 111.5 | M65 I66 N69 R234 R235 W240 L241 N242 | M65-I238 HydrophobicContact CE-CD1 4.34Å; M65-I238 HydrophobicContact CE-CG1 4.43Å; M65-I238 HydrophobicContact SD-CD1 3.92Å; M65-I238 HydrophobicContact SD-CG1 3.99Å; I66-I238 HydrophobicContact CB-CD1 4.38Å; I66-I238 HydrophobicContact CG1-CD1 3.94Å; N69-I238 HydrophobicContact CB-CD1 4.06Å; N69-I238 HydrophobicContact CB-CG2 4.19Å; R234-I238 WeakPolarHBondContact O-CG1 3.42Å; R234-I238 PolarHBondContact O-N 2.93Å; R234-I238 VanDerWaalsContact O-N 3.11Å; R235-I238 PolarHBondContact O-N 2.92Å; R235-I238 VanDerWaalsContact O-N 3.08Å; I238-W240 VanDerWaalsContact C-N 3.29Å; I238-W240 PolarHBondContact O-N 2.94Å; I238-L241 PolarHBondContact O-N 3.04Å; I238-N242 WeakPolarHBondContact O-CB 3.44Å; I238-N242 PolarHBondContact O-N 3.42Å; I238-N242 PolarHBondContact O-ND2 3.01Å |
| 239 | E | 98.6 | Very high | 97.1 | Very high | 102 Ų | 102 | 44.8 Ų | 44.8 | 48% | 0.477 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.9 | -40.7 | 175.7 | -73.9 | 173.5 | -177.7 | 0 | 0 | 111.4 | R235 N242 K243 | R235-E239 VanDerWaalsContact CD-OE1 3.26Å; R235-E239 WeakPolarHBondContact CD-OE1 3.45Å; R235-E239 HydrophobicContact CG-CG 4.39Å; R235-E239 WeakPolarHBondContact CG-OE1 3.26Å; R235-E239 WeakPolarHBondContact O-CB 3.31Å; R235-E239 WeakPolarHBondContact O-CG 3.39Å; R235-E239 PolarHBondContact O-N 3.27Å; E239-N242 PolarHBondContact O-N 3.29Å; E239-K243 WeakPolarHBondContact O-CB 3.27Å; E239-K243 PolarHBondContact O-N 2.86Å |
| 240 | W | 98.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -47.9 | 174.9 | -168.1 | -97.4 | 0 | 0 | 0 | 112 | G151 V152 P170 L172 E201 Q203 N236 L237 I238 N242 K243 Y244 | G151-W240 PolarHBondContact O-NE1 3.44Å; V152-W240 HydrophobicContact CG2-CB 4.38Å; V152-W240 HydrophobicContact CG2-CG 4.35Å; P170-W240 HydrophobicContact CB-CZ2 3.77Å; P170-W240 PolarHBondContact O-NE1 3.11Å; L172-W240 HydrophobicContact CB-CB 4.2Å; L172-W240 HydrophobicContact CB-CD2 3.57Å; L172-W240 HydrophobicContact CB-CE3 4Å; L172-W240 HydrophobicContact CB-CG 3.63Å; L172-W240 HydrophobicContact CB-CZ2 4.49Å; L172-W240 HydrophobicContact CD2-CB 3.9Å; L172-W240 HydrophobicContact CD2-CG 4.26Å; E201-W240 HydrophobicContact CB-CH2 4.48Å; E201-W240 HydrophobicContact CG-CH2 3.88Å; Q203-W240 HydrophobicContact CB-CE3 4.42Å; Q203-W240 HydrophobicContact CB-CH2 4.04Å; Q203-W240 HydrophobicContact CB-CZ3 3.63Å; N236-W240 WeakPolarHBondContact O-CB 3.38Å; N236-W240 PolarHBondContact O-N 3.39Å; L237-W240 PolarHBondContact O-N 2.88Å; I238-W240 VanDerWaalsContact C-N 3.29Å; I238-W240 PolarHBondContact O-N 2.94Å; W240-N242 VanDerWaalsContact C-N 3.35Å; W240-N242 PolarHBondContact O-N 3.42Å; W240-K243 PolarHBondContact O-N 3.3Å; W240-Y244 AromaticContact CD2-CD2 3.85Å; W240-Y244 HydrophobicContact CD2-CD2 3.85Å; W240-Y244 AromaticContact CD2-CE2 3.64Å; W240-Y244 HydrophobicContact CD2-CE2 3.64Å; W240-Y244 AromaticContact CE2-CD2 3.59Å; W240-Y244 AromaticContact CE2-CE2 3.41Å; W240-Y244 VanDerWaalsContact CE2-CE2 3.41Å; W240-Y244 HydrophobicContact CE3-CD2 4.44Å; W240-Y244 AromaticContact CE3-CE2 3.82Å; W240-Y244 HydrophobicContact CE3-CE2 3.82Å; W240-Y244 HydrophobicContact CG-CD2 4.16Å; W240-Y244 HydrophobicContact CG-CE2 4.4Å; W240-Y244 AromaticContact CH2-CE2 3.6Å; W240-Y244 HydrophobicContact CH2-CE2 3.6Å; W240-Y244 AromaticContact CZ2-CD2 3.97Å; W240-Y244 HydrophobicContact CZ2-CD2 3.97Å; W240-Y244 AromaticContact CZ2-CE2 3.38Å; W240-Y244 HydrophobicContact CZ2-CE2 3.38Å; W240-Y244 AromaticContact CZ3-CE2 3.81Å; W240-Y244 HydrophobicContact CZ3-CE2 3.81Å; W240-Y244 AromaticContact NE1-CD2 3.73Å; W240-Y244 VanDerWaalsContact O-CD2 3.29Å; W240-Y244 WeakPolarHBondContact O-CD2 3.45Å; W240-Y244 PolarHBondContact O-N 2.88Å |
| 241 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.2 | -48.8 | 175.2 | -68.3 | 175.1 | 0 | 0 | 0 | 110.4 | V45 I66 Y71 V129 A150 V152 L237 I238 K243 Y244 M245 | V45-L241 HydrophobicContact CG2-CD1 4.02Å; V45-L241 HydrophobicContact CG2-CD2 4.2Å; I66-L241 HydrophobicContact CG2-CD1 4.08Å; Y71-L241 HydrophobicContact CE1-CB 4.36Å; Y71-L241 HydrophobicContact CE2-CB 4.32Å; Y71-L241 VanDerWaalsContact OH-C 3.31Å; V129-L241 HydrophobicContact CG2-CD1 4.15Å; V129-L241 HydrophobicContact CG2-CD2 4.35Å; A150-L241 HydrophobicContact CB-CD2 4.18Å; V152-L241 HydrophobicContact CG2-CD2 4.45Å; L237-L241 HydrophobicContact CD2-CD1 3.73Å; L237-L241 HydrophobicContact CD2-CG 4.44Å; L237-L241 WeakPolarHBondContact O-CG 3.44Å; L237-L241 PolarHBondContact O-N 2.88Å; I238-L241 PolarHBondContact O-N 3.04Å; L241-K243 VanDerWaalsContact C-N 3.27Å; L241-K243 PolarHBondContact O-N 2.77Å; L241-Y244 PolarHBondContact O-N 2.84Å; L241-Y244 VanDerWaalsContact O-N 3.14Å; L241-M245 HydrophobicContact CB-CG 4.44Å; L241-M245 HydrophobicContact CD2-CG 4.18Å; L241-M245 WeakPolarHBondContact O-CA 3.45Å; L241-M245 WeakPolarHBondContact O-CB 3.35Å; L241-M245 WeakPolarHBondContact O-CG 3.44Å; L241-M245 PolarHBondContact O-N 2.94Å |
| 242 | N | 97.3 | Very high | 97.8 | Very high | 85 Ų | 85 | 44.2 Ų | 44.2 | 46% | 0.455 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.3 | -33.9 | -180 | -71 | -14.5 | 0 | 0 | 0 | 113.2 | Y71 I238 E239 W240 | Y71-N242 WeakPolarHBondContact OH-CA 3.45Å; Y71-N242 PolarHBondContact OH-N 2.85Å; Y71-N242 PolarHBondContact OH-OD1 3.4Å; I238-N242 WeakPolarHBondContact O-CB 3.44Å; I238-N242 PolarHBondContact O-N 3.42Å; I238-N242 PolarHBondContact O-ND2 3.01Å; E239-N242 PolarHBondContact O-N 3.29Å; W240-N242 VanDerWaalsContact C-N 3.35Å; W240-N242 PolarHBondContact O-N 3.42Å |
| 243 | K | 98.1 | Very high | 97.8 | Very high | 124 Ų | 124 | 42.5 Ų | 42.5 | 54% | 0.539 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -68.7 | -34.3 | 178.3 | -174.8 | 176.7 | 176 | -162.7 | 0 | 112.3 | E201 E239 W240 L241 | E201-K243 IonicContact OE1-NZ 3.57Å; E201-K243 PolarHBondContact OE1-NZ 3.37Å; E239-K243 WeakPolarHBondContact O-CB 3.27Å; E239-K243 PolarHBondContact O-N 2.86Å; W240-K243 PolarHBondContact O-N 3.3Å; L241-K243 VanDerWaalsContact C-N 3.27Å; L241-K243 PolarHBondContact O-N 2.77Å |
| 244 | Y | 97.9 | Very high | 97.8 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 18% | 0.184 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -116.6 | -15.3 | -167.9 | -66.3 | -67.5 | 0 | 0 | 0 | 115.2 | P170 E201 W240 L241 | P170-Y244 HydrophobicContact CB-CD1 3.69Å; P170-Y244 HydrophobicContact CB-CD2 3.83Å; P170-Y244 HydrophobicContact CB-CE1 3.67Å; P170-Y244 HydrophobicContact CB-CE2 3.85Å; P170-Y244 HydrophobicContact CB-CG 3.77Å; P170-Y244 HydrophobicContact CG-CD1 3.51Å; P170-Y244 HydrophobicContact CG-CE1 3.59Å; P170-Y244 HydrophobicContact CG-CG 4.04Å; E201-Y244 WeakPolarHBondContact CB-OH 3.36Å; E201-Y244 WeakPolarHBondContact CG-OH 3.48Å; E201-Y244 PolarHBondContact OE1-OH 2.89Å; W240-Y244 AromaticContact CD2-CD2 3.85Å; W240-Y244 HydrophobicContact CD2-CD2 3.85Å; W240-Y244 AromaticContact CD2-CE2 3.64Å; W240-Y244 HydrophobicContact CD2-CE2 3.64Å; W240-Y244 AromaticContact CE2-CD2 3.59Å; W240-Y244 AromaticContact CE2-CE2 3.41Å; W240-Y244 VanDerWaalsContact CE2-CE2 3.41Å; W240-Y244 HydrophobicContact CE3-CD2 4.44Å; W240-Y244 AromaticContact CE3-CE2 3.82Å; W240-Y244 HydrophobicContact CE3-CE2 3.82Å; W240-Y244 HydrophobicContact CG-CD2 4.16Å; W240-Y244 HydrophobicContact CG-CE2 4.4Å; W240-Y244 AromaticContact CH2-CE2 3.6Å; W240-Y244 HydrophobicContact CH2-CE2 3.6Å; W240-Y244 AromaticContact CZ2-CD2 3.97Å; W240-Y244 HydrophobicContact CZ2-CD2 3.97Å; W240-Y244 AromaticContact CZ2-CE2 3.38Å; W240-Y244 HydrophobicContact CZ2-CE2 3.38Å; W240-Y244 AromaticContact CZ3-CE2 3.81Å; W240-Y244 HydrophobicContact CZ3-CE2 3.81Å; W240-Y244 AromaticContact NE1-CD2 3.73Å; W240-Y244 VanDerWaalsContact O-CD2 3.29Å; W240-Y244 WeakPolarHBondContact O-CD2 3.45Å; W240-Y244 PolarHBondContact O-N 2.88Å; L241-Y244 PolarHBondContact O-N 2.84Å; L241-Y244 VanDerWaalsContact O-N 3.14Å |
| 245 | M | 94.4 | Very high | 97.9 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | trans | -105.6 | 0 | 177.8 | -61.7 | -78 | -62.3 | 0 | 0 | 110.8 | K43 A44 Y71 K125 I126 G127 R149 A150 L241 | K43-M245 HydrophobicContact CB-CE 4.32Å; K43-M245 HydrophobicContact CD-CB 4.3Å; K43-M245 VanDerWaalsContact CE-O 3.32Å; K43-M245 WeakPolarHBondContact CE-O 3.47Å; K43-M245 VanDerWaalsContact CE-OXT 3.31Å; K43-M245 WeakPolarHBondContact CE-OXT 3.45Å; K43-M245 PolarHBondContact NZ-OXT 2.9Å; A44-M245 WeakPolarHBondContact O-CE 3.28Å; Y71-M245 HydrophobicContact CD1-CE 4.45Å; Y71-M245 HydrophobicContact CE1-CB 3.75Å; Y71-M245 HydrophobicContact CE1-CE 4.37Å; Y71-M245 HydrophobicContact CE1-CG 4.18Å; K125-M245 VanDerWaalsContact C-CE 3.5Å; K125-M245 HydrophobicContact CB-CE 3.98Å; K125-M245 HydrophobicContact CB-SD 4.46Å; K125-M245 WeakPolarHBondContact CD-O 3.42Å; K125-M245 WeakPolarHBondContact CE-O 3.09Å; K125-M245 PolarHBondContact NZ-O 2.87Å; K125-M245 VanDerWaalsContact O-CE 3.26Å; K125-M245 WeakPolarHBondContact O-CE 3.31Å; I126-M245 VanDerWaalsContact C-SD 3.55Å; G127-M245 VanDerWaalsContact CA-SD 3.55Å; G127-M245 PolarHBondContact N-SD 2.65Å; R149-M245 HydrophobicContact CB-SD 3.57Å; R149-M245 VanDerWaalsContact CB-SD 3.57Å; R149-M245 HydrophobicContact CG-SD 4.3Å; A150-M245 HydrophobicContact CB-CG 4.02Å; A150-M245 HydrophobicContact CB-SD 4.31Å; L241-M245 HydrophobicContact CB-CG 4.44Å; L241-M245 HydrophobicContact CD2-CG 4.18Å; L241-M245 WeakPolarHBondContact O-CA 3.45Å; L241-M245 WeakPolarHBondContact O-CB 3.35Å; L241-M245 WeakPolarHBondContact O-CG 3.44Å; L241-M245 PolarHBondContact O-N 2.94Å |
Retrieved 245 of 245 residues in 2303.1 ms
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