| 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 | 36.5 | Very low | 44.2 | Very low | 229 Ų | 229 | 132.3 Ų | 132.3 | 100% | 1.128 | 75% | 0.746 | S | S | * | * | 0 | 76 | 0 | -79.1 | -174.9 | -172.8 | 0 | 0 | 105 | L3 | M1-L3 PolarHBondContact O-N 3.43Š| |||
| 2 | D | 31.1 | Very low | 46.6 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | trans | -77.6 | 109.4 | -173.3 | -58.9 | -84.2 | 0 | 0 | 0 | 107.4 | E4 | D2-E4 PolarHBondContact O-N 2.82Š| ||
| 3 | L | 39.1 | Very low | 49.4 | Very low | 176 Ų | 176 | 129.3 Ų | 129.3 | 92% | 0.921 | 71% | 0.712 | S | S | * | * | trans | -72.3 | 87.2 | 168.2 | -81.2 | 152.3 | 0 | 0 | 0 | 106.6 | M1 G5 | M1-L3 PolarHBondContact O-N 3.43Å; L3-G5 PolarHBondContact O-N 2.87Å | ||
| 4 | E | 37.7 | Very low | 52 | Low | 186 Ų | 186 | 122.8 Ų | 122.8 | 87% | 0.869 | 69% | 0.69 | S | S | * | * | trans | -63 | 92.5 | 159.9 | -71.3 | -170 | 145.1 | 0 | 0 | 107.2 | D2 G6 | D2-E4 PolarHBondContact O-N 2.82Å; E4-G6 PolarHBondContact O-N 3.41Å | ||
| 5 | G | 36.7 | Very low | 54.6 | Low | 72 Ų | 72 | 122.2 Ų | 122.2 | 74% | 0.742 | 68% | 0.683 | S | S | * | * | trans | -65.6 | 80.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | L3 T7 | L3-G5 PolarHBondContact O-N 2.87Å; G5-T7 PolarHBondContact O-N 3.48Å; G5-T7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | G | 36.6 | Very low | 56.9 | Low | 66 Ų | 66 | 119.9 Ų | 119.9 | 68% | 0.68 | 66% | 0.66 | S | S | * | * | trans | -55.6 | 117.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | E4 Y8 | E4-G6 PolarHBondContact O-N 3.41Å; G6-Y8 VanDerWaalsContact C-N 3.32Å; G6-Y8 PolarHBondContact O-N 3.34Å | ||
| 7 | T | 43.5 | Very low | 59.2 | Low | 124 Ų | 124 | 119.8 Ų | 119.8 | 76% | 0.761 | 65% | 0.652 | S | S | * | * | trans | -59.1 | 99.2 | 172.4 | 41.7 | 0 | 0 | 0 | 0 | 107.4 | G5 E9 | G5-T7 PolarHBondContact O-N 3.48Å; G5-T7 VanDerWaalsContact O-N 3.12Å; T7-E9 PolarHBondContact O-N 3.03Å | ||
| 8 | Y | 45.9 | Very low | 61.2 | Low | 215 Ų | 215 | 113.1 Ų | 113.1 | 84% | 0.843 | 62% | 0.615 | S | S | * | * | trans | -75 | 75.5 | 172.9 | -152.5 | -88.5 | 0 | 0 | 0 | 106.5 | G6 P10 | G6-Y8 VanDerWaalsContact C-N 3.32Å; G6-Y8 PolarHBondContact O-N 3.34Å; Y8-P10 WeakPolarHBondContact O-CD 3.35Å | ||
| 9 | E | 55.8 | Low | 63 | Low | 138 Ų | 138 | 115.1 Ų | 115.1 | 65% | 0.645 | 62% | 0.62 | S | S | * | * | trans | -78.7 | 105.9 | 164.7 | -74.4 | -166.6 | -157.9 | 0 | 0 | 106.8 | T7 G11 K58 | T7-E9 PolarHBondContact O-N 3.03Å; E9-G11 PolarHBondContact O-N 2.88Å; E9-K58 IonicContact OE2-NZ 3.95Å | ||
| 10 | P | 59 | Low | 64.6 | Low | 48 Ų | 48 | 116 Ų | 116 | 31% | 0.312 | 62% | 0.62 | S | S | . | * | trans | -63.2 | 111.4 | 169.9 | 27.9 | -32.6 | 0 | 0 | 0 | 106.5 | Y8 V56 K58 | Y8-P10 WeakPolarHBondContact O-CD 3.35Å; P10-V56 HydrophobicContact CB-CG1 3.93Å; P10-V56 HydrophobicContact CB-CG2 3.77Å; P10-V56 HydrophobicContact CG-CG1 3.63Å; P10-V56 HydrophobicContact CG-CG2 4.39Å; P10-K58 WeakPolarHBondContact O-CE 3.18Å | ||
| 11 | G | 64.9 | Low | 66.1 | Low | 46 Ų | 46 | 112.7 Ų | 112.7 | 47% | 0.474 | 61% | 0.605 | S | S | . | * | trans | -54.3 | 155.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E9 V13 | E9-G11 PolarHBondContact O-N 2.88Å; G11-V13 PolarHBondContact O-N 3.31Å | ||
| 12 | F | 72.3 | Confident | 68.9 | Low | 187 Ų | 187 | 107.7 Ų | 107.7 | 82% | 0.82 | 58% | 0.584 | S | S | * | * | trans | -60.6 | 126 | 176.5 | -177.5 | -97.6 | 0 | 0 | 0 | 110.3 | G14 | F12-G14 PolarHBondContact O-N 2.99Š| ||
| 13 | V | 83.9 | Confident | 71.9 | Confident | 39 Ų | 39 | 103.3 Ų | 103.3 | 24% | 0.236 | 56% | 0.56 | C | S | . | * | trans | -82.6 | 103.3 | 174.7 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | G11 C53 V56 | G11-V13 PolarHBondContact O-N 3.31Å; V13-C53 HydrophobicContact CG2-CB 4.19Å; V13-C53 VanDerWaalsContact CG2-O 3.28Å; V13-C53 WeakPolarHBondContact CG2-O 3.3Å; V13-V56 HydrophobicContact CG2-CG2 3.86Å | ||
| 14 | G | 85.1 | Confident | 74.6 | Confident | 38 Ų | 38 | 98.7 Ų | 98.7 | 39% | 0.392 | 54% | 0.535 | S | S | . | . | trans | -71.6 | 144.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F12 R16 | F12-G14 PolarHBondContact O-N 2.99Å; G14-R16 PolarHBondContact O-N 2.76Å | ||
| 15 | I | 91.1 | Very high | 77.4 | Confident | 114 Ų | 114 | 90.3 Ų | 90.3 | 59% | 0.585 | 50% | 0.496 | S | S | * | . | trans | -66.4 | 128.1 | 171 | -59.2 | 173 | 0 | 0 | 0 | 108.6 | F17 M24 | I15-F17 HydrophobicContact CG2-CE1 4.3Å; I15-F17 HydrophobicContact CG2-CE2 3.99Å; I15-F17 HydrophobicContact CG2-CZ 3.79Å; I15-M24 HydrophobicContact CG2-CG 3.88Å; I15-M24 HydrophobicContact CG2-SD 3.93Å | ||
| 16 | R | 91.4 | Very high | 80.2 | Confident | 85 Ų | 85 | 90.7 Ų | 90.7 | 32% | 0.321 | 48% | 0.475 | S | S | . | . | trans | -105.9 | 146.9 | 175.4 | -62 | -168 | -178.7 | -150.4 | -1.9 | 111.1 | G14 L25 D50 | G14-R16 PolarHBondContact O-N 2.76Å; R16-L25 HydrophobicContact CB-CD1 4.12Å; R16-L25 PolarHBondContact O-N 3.19Å; R16-D50 IonicContact CZ-OD2 3.96Å; R16-D50 IonicContact NH1-OD2 2.84Å; R16-D50 PolarHBondContact NH1-OD2 2.84Å; R16-D50 IonicContact NH2-OD2 3.59Å; R16-D50 PolarHBondContact NH2-OD2 2.83Å | ||
| 17 | F | 95.5 | Very high | 83 | Confident | 118 Ų | 118 | 90.4 Ų | 90.4 | 52% | 0.518 | 46% | 0.461 | S | S | . | . | B | Isolated β-bridge | trans | -117.1 | 147.4 | -178.3 | -64.3 | -83.3 | 0 | 0 | 0 | 111.3 | I15 N22 N23 | I15-F17 HydrophobicContact CG2-CE1 4.3Å; I15-F17 HydrophobicContact CG2-CE2 3.99Å; I15-F17 HydrophobicContact CG2-CZ 3.79Å; F17-N22 WeakPolarHBondContact CD1-O 3.27Å; F17-N23 WeakPolarHBondContact CA-O 3.42Å |
| 18 | C | 95.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 89.7 Ų | 89.7 | 0% | 0 | 45% | 0.448 | C | S | . | . | trans | -67.2 | 132.5 | 174.8 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | E20 C21 N22 N23 L25 C40 C43 Y45 | C18-E20 PolarHBondContact O-N 3.37Å; C18-E20 PolarHBondContact SG-N 2.7Å; C18-E20 VanDerWaalsContact SG-N 3.4Å; C18-C21 VanDerWaalsContact SG-SG 3.64Å; C18-N22 VanDerWaalsContact O-CA 3.23Å; C18-N22 WeakPolarHBondContact O-CA 3.26Å; C18-N22 PolarHBondContact O-N 2.98Å; C18-N22 PolarHBondContact O-OD1 3.37Å; C18-N23 WeakPolarHBondContact CB-O 3.35Å; C18-N23 PolarHBondContact N-O 2.94Å; C18-L25 HydrophobicContact CB-CD2 3.77Å; C18-L25 HydrophobicContact CB-CG 4.4Å; C18-C40 HydrophobicContact CB-CB 4.16Å; C18-C43 PolarHBondContact SG-SG 2.76Å; C18-Y45 HydrophobicContact CB-CD1 4.35Å; C18-Y45 VanDerWaalsContact SG-CB 3.53Å | ||
| 19 | Q | 94.8 | Very high | 87.8 | Confident | 150 Ų | 150 | 85.7 Ų | 85.7 | 70% | 0.701 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18.6 | 179.5 | -66.6 | -172.8 | -15.8 | 0 | 0 | 113.8 | Y45 | Q19-Y45 HydrophobicContact CB-CE2 4.17Å; Q19-Y45 HydrophobicContact CG-CE2 4.47Å |
| 20 | E | 95.7 | Very high | 89.7 | Confident | 134 Ų | 134 | 80.8 Ų | 80.8 | 63% | 0.626 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -44 | -177.1 | -59.8 | -173.8 | 166.6 | 0 | 0 | 112.9 | C18 Y45 | C18-E20 PolarHBondContact O-N 3.37Å; C18-E20 PolarHBondContact SG-N 2.7Å; C18-E20 VanDerWaalsContact SG-N 3.4Å; E20-Y45 HydrophobicContact CG-CD2 4.14Å |
| 21 | C | 95.9 | Very high | 91.4 | Very high | 46 Ų | 46 | 86 Ų | 86 | 31% | 0.311 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | 4.8 | -172.4 | 61.6 | 0 | 0 | 0 | 0 | 114.5 | C18 N23 | C18-C21 VanDerWaalsContact SG-SG 3.64Å; C21-N23 PolarHBondContact O-N 2.8Å; C21-N23 PolarHBondContact SG-ND2 2.74Å |
| 22 | N | 94.5 | Very high | 92.8 | Very high | 125 Ų | 125 | 92.2 Ų | 92.2 | 67% | 0.668 | 45% | 0.45 | S | S | * | . | trans | 55.2 | 19.8 | 179.1 | -65 | -38.9 | 0 | 0 | 0 | 115.2 | F17 C18 | F17-N22 WeakPolarHBondContact CD1-O 3.27Å; C18-N22 VanDerWaalsContact O-CA 3.23Å; C18-N22 WeakPolarHBondContact O-CA 3.26Å; C18-N22 PolarHBondContact O-N 2.98Å; C18-N22 PolarHBondContact O-OD1 3.37Å | ||
| 23 | N | 95.3 | Very high | 93.9 | Very high | 63 Ų | 63 | 88.3 Ų | 88.3 | 34% | 0.337 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 154.5 | 172.2 | -72.1 | -55.9 | 0 | 0 | 0 | 111.2 | F17 C18 C21 L25 | F17-N23 WeakPolarHBondContact CA-O 3.42Å; C18-N23 WeakPolarHBondContact CB-O 3.35Å; C18-N23 PolarHBondContact N-O 2.94Å; C21-N23 PolarHBondContact O-N 2.8Å; C21-N23 PolarHBondContact SG-ND2 2.74Å; N23-L25 PolarHBondContact O-N 2.9Å |
| 24 | M | 95.4 | Very high | 94.4 | Very high | 79 Ų | 79 | 97.1 Ų | 97.1 | 39% | 0.389 | 47% | 0.466 | S | S | . | . | B | Isolated β-bridge | trans | -62.3 | 133.7 | 177.4 | -174.1 | 169.2 | 70 | 0 | 0 | 111.4 | I15 Y26 | I15-M24 HydrophobicContact CG2-CG 3.88Å; I15-M24 HydrophobicContact CG2-SD 3.93Å; M24-Y26 HydrophobicContact CE-CE1 3.67Å; M24-Y26 HydrophobicContact CE-CE2 4.24Å; M24-Y26 VanDerWaalsContact CE-CZ 3.44Å; M24-Y26 WeakPolarHBondContact CE-OH 3.34Å; M24-Y26 WeakPolarHBondContact O-CD2 3.48Å; M24-Y26 WeakPolarHBondContact O-CE2 3.23Å |
| 25 | L | 96.3 | Very high | 94.8 | Very high | 10 Ų | 10 | 97.7 Ų | 97.7 | 5% | 0.052 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -85.7 | 146.7 | 175.2 | -62.4 | 174.4 | 0 | 0 | 0 | 111.2 | R16 C18 N23 Y38 C40 Y45 Q47 | R16-L25 HydrophobicContact CB-CD1 4.12Å; R16-L25 PolarHBondContact O-N 3.19Å; C18-L25 HydrophobicContact CB-CD2 3.77Å; C18-L25 HydrophobicContact CB-CG 4.4Å; N23-L25 PolarHBondContact O-N 2.9Å; L25-Y38 HydrophobicContact CB-CD1 4.22Å; L25-Y38 HydrophobicContact CB-CG 4.46Å; L25-C40 HydrophobicContact CD2-CB 3.84Å; L25-Y45 HydrophobicContact CD1-CE1 4.18Å; L25-Y45 HydrophobicContact CD2-CD1 4Å; L25-Y45 HydrophobicContact CD2-CE1 4.41Å; L25-Q47 HydrophobicContact CD1-CG 4.24Å; L25-Q47 VanDerWaalsContact CD1-NE2 3.29Å |
| 26 | Y | 95.3 | Very high | 95 | Very high | 80 Ų | 80 | 94 Ų | 94 | 31% | 0.314 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 142.1 | 179.6 | -66.4 | -92.7 | 0 | 0 | 0 | 110.9 | M24 Y38 A39 R41 | M24-Y26 HydrophobicContact CE-CE1 3.67Å; M24-Y26 HydrophobicContact CE-CE2 4.24Å; M24-Y26 VanDerWaalsContact CE-CZ 3.44Å; M24-Y26 WeakPolarHBondContact CE-OH 3.34Å; M24-Y26 WeakPolarHBondContact O-CD2 3.48Å; M24-Y26 WeakPolarHBondContact O-CE2 3.23Å; Y26-Y38 WeakPolarHBondContact O-CA 3.49Å; Y26-A39 PolarHBondContact N-O 2.88Å; Y26-A39 PolarHBondContact O-N 2.83Å; Y26-R41 HydrophobicContact CD2-CG 3.74Å; Y26-R41 HydrophobicContact CE2-CG 3.93Å |
| 27 | P | 95.3 | Very high | 95.2 | Very high | 59 Ų | 59 | 90.8 Ų | 90.8 | 38% | 0.383 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 134.9 | 175.5 | 28.7 | -36 | 0 | 0 | 0 | 110.6 | L36 L37 Y38 I54 | P27-L36 HydrophobicContact CB-CD1 3.94Å; P27-L37 CarbonylContact C-O 3.48Å; P27-L37 WeakPolarHBondContact CA-O 3.45Å; P27-Y38 HydrophobicContact CB-CE1 4.43Å; P27-I54 HydrophobicContact CB-CD1 3.91Å; P27-I54 HydrophobicContact CB-CG1 4.12Å; P27-I54 HydrophobicContact CB-CG2 4.09Å; P27-I54 HydrophobicContact CG-CD1 4.46Å; P27-I54 HydrophobicContact CG-CG2 3.69Å |
| 28 | K | 94.8 | Very high | 95.2 | Very high | 110 Ų | 110 | 86.1 Ų | 86.1 | 48% | 0.478 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 133.9 | -179.7 | -178.2 | -177.3 | 175.2 | -169.9 | 0 | 108.9 | L37 A39 | K28-L37 PolarHBondContact N-O 3.02Å; K28-L37 WeakPolarHBondContact O-CA 3.28Å; K28-L37 PolarHBondContact O-N 3.3Å; K28-A39 HydrophobicContact CB-CB 4.23Å; K28-A39 HydrophobicContact CD-CB 3.94Å |
| 29 | E | 95.7 | Very high | 95.2 | Very high | 130 Ų | 130 | 86.8 Ų | 86.8 | 61% | 0.607 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 130.3 | 175.2 | -178.4 | -173.5 | -150 | 0 | 0 | 110.5 | K31 | E29-K31 HydrophobicContact CG-CG 4.03Å; E29-K31 VanDerWaalsContact OE2-CE 3.26Å; E29-K31 WeakPolarHBondContact OE2-CE 3.45Å |
| 30 | D | 95.1 | Very high | 95.3 | Very high | 36 Ų | 36 | 80.3 Ų | 80.3 | 19% | 0.193 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 107.2 | 158.9 | 178.8 | -5.8 | 0 | 0 | 0 | 109 | E32 N33 R34 I35 L37 | D30-E32 VanDerWaalsContact C-N 3.33Å; D30-E32 PolarHBondContact O-N 2.86Å; D30-E32 PolarHBondContact OD1-N 3.4Å; D30-N33 PolarHBondContact OD1-N 3.49Å; D30-N33 PolarHBondContact OD2-ND2 3.33Å; D30-R34 WeakPolarHBondContact O-CA 3.5Å; D30-R34 PolarHBondContact O-N 3.41Å; D30-I35 HydrophobicContact CB-CG1 3.71Å; D30-I35 PolarHBondContact N-O 3.46Å; D30-I35 PolarHBondContact O-N 2.85Å; D30-L37 HydrophobicContact CB-CD1 3.92Å; D30-L37 HydrophobicContact CB-CG 4.24Å |
| 31 | K | 94.8 | Very high | 95.3 | Very high | 158 Ų | 158 | 82.7 Ų | 82.7 | 69% | 0.687 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -25.2 | -174.5 | -66.7 | -177.4 | 178.8 | -176.6 | 0 | 113.7 | E29 | E29-K31 HydrophobicContact CG-CG 4.03Å; E29-K31 VanDerWaalsContact OE2-CE 3.26Å; E29-K31 WeakPolarHBondContact OE2-CE 3.45Å |
| 32 | E | 96.1 | Very high | 95.3 | Very high | 176 Ų | 176 | 86.2 Ų | 86.2 | 82% | 0.822 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -49.2 | -176.7 | -64.5 | -176.7 | 171.9 | 0 | 0 | 109.8 | D30 | D30-E32 VanDerWaalsContact C-N 3.33Å; D30-E32 PolarHBondContact O-N 2.86Å; D30-E32 PolarHBondContact OD1-N 3.4Å |
| 33 | N | 94.4 | Very high | 95.3 | Very high | 105 Ų | 105 | 81.8 Ų | 81.8 | 56% | 0.561 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -9.8 | -178.5 | -60.1 | -61.6 | 0 | 0 | 0 | 113.2 | D30 I35 | D30-N33 PolarHBondContact OD1-N 3.49Å; D30-N33 PolarHBondContact OD2-ND2 3.33Å; N33-I35 VanDerWaalsContact C-N 3.27Å; N33-I35 HydrophobicContact CB-CD1 4.11Å; N33-I35 HydrophobicContact CB-CG1 4.01Å; N33-I35 HydrophobicContact CB-CG2 4.24Å; N33-I35 PolarHBondContact O-N 2.96Å |
| 34 | R | 93.8 | Very high | 95.4 | Very high | 223 Ų | 223 | 86.5 Ų | 86.5 | 84% | 0.842 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 40.2 | -175.9 | -56.1 | -179.6 | 179.1 | -177.9 | -0.5 | 112.6 | D30 | D30-R34 WeakPolarHBondContact O-CA 3.5Å; D30-R34 PolarHBondContact O-N 3.41Å |
| 35 | I | 95 | Very high | 95.4 | Very high | 50 Ų | 50 | 84.6 Ų | 84.6 | 26% | 0.256 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 150.4 | 178.9 | 62.8 | 178.5 | 0 | 0 | 0 | 110.8 | D30 N33 L37 E48 | D30-I35 HydrophobicContact CB-CG1 3.71Å; D30-I35 PolarHBondContact N-O 3.46Å; D30-I35 PolarHBondContact O-N 2.85Å; N33-I35 VanDerWaalsContact C-N 3.27Å; N33-I35 HydrophobicContact CB-CD1 4.11Å; N33-I35 HydrophobicContact CB-CG1 4.01Å; N33-I35 HydrophobicContact CB-CG2 4.24Å; N33-I35 PolarHBondContact O-N 2.96Å; I35-L37 HydrophobicContact CD1-CD2 3.85Å; I35-L37 HydrophobicContact CG1-CD2 4.1Å; I35-L37 HydrophobicContact CG1-CG 4.4Å; I35-E48 HydrophobicContact CD1-CG 4.49Å |
| 36 | L | 94.2 | Very high | 95.4 | Very high | 36 Ų | 36 | 89.4 Ų | 89.4 | 19% | 0.188 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 125.7 | 172.7 | 176.6 | 64.3 | 0 | 0 | 0 | 109 | P27 A49 I54 | P27-L36 HydrophobicContact CB-CD1 3.94Å; L36-A49 HydrophobicContact CB-CB 3.97Å; L36-A49 HydrophobicContact CD2-CB 3.66Å; L36-A49 HydrophobicContact CG-CB 3.62Å; L36-A49 WeakPolarHBondContact O-CB 3.3Å; L36-A49 PolarHBondContact O-N 3.28Å; L36-I54 HydrophobicContact CD1-CD1 3.91Å; L36-I54 HydrophobicContact CD1-CG1 4.41Å; L36-I54 HydrophobicContact CD2-CD1 4.04Å; L36-I54 HydrophobicContact CD2-CG1 3.75Å |
| 37 | L | 95.4 | Very high | 95.3 | Very high | 18 Ų | 18 | 87.7 Ų | 87.7 | 9% | 0.094 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 152.7 | 175 | -58.9 | 179.8 | 0 | 0 | 0 | 110.7 | P27 K28 D30 I35 Q47 E48 | P27-L37 CarbonylContact C-O 3.48Å; P27-L37 WeakPolarHBondContact CA-O 3.45Å; K28-L37 PolarHBondContact N-O 3.02Å; K28-L37 WeakPolarHBondContact O-CA 3.28Å; K28-L37 PolarHBondContact O-N 3.3Å; D30-L37 HydrophobicContact CB-CD1 3.92Å; D30-L37 HydrophobicContact CB-CG 4.24Å; I35-L37 HydrophobicContact CD1-CD2 3.85Å; I35-L37 HydrophobicContact CG1-CD2 4.1Å; I35-L37 HydrophobicContact CG1-CG 4.4Å; L37-Q47 CarbonylContact C-O 3.48Å; L37-Q47 VanDerWaalsContact CA-O 3.27Å; L37-Q47 WeakPolarHBondContact CA-O 3.03Å; L37-E48 HydrophobicContact CD2-CB 4.24Å |
| 38 | Y | 96.2 | Very high | 95.3 | Very high | 20 Ų | 20 | 90.7 Ų | 90.7 | 8% | 0.078 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 116.2 | 163.4 | -80.7 | -70.5 | 0 | 0 | 0 | 108.8 | L25 Y26 P27 Q46 Q47 A49 | L25-Y38 HydrophobicContact CB-CD1 4.22Å; L25-Y38 HydrophobicContact CB-CG 4.46Å; Y26-Y38 WeakPolarHBondContact O-CA 3.49Å; P27-Y38 HydrophobicContact CB-CE1 4.43Å; Y38-Q46 WeakPolarHBondContact O-CA 3.38Å; Y38-Q47 PolarHBondContact N-O 2.87Å; Y38-Q47 PolarHBondContact O-N 3Å; Y38-A49 HydrophobicContact CD2-CB 3.7Å; Y38-A49 HydrophobicContact CE2-CB 3.54Å |
| 39 | A | 96.4 | Very high | 95.2 | Very high | 14 Ų | 14 | 86.1 Ų | 86.1 | 12% | 0.116 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 143.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y26 K28 Q46 | Y26-A39 PolarHBondContact N-O 2.88Å; Y26-A39 PolarHBondContact O-N 2.83Å; K28-A39 HydrophobicContact CB-CB 4.23Å; K28-A39 HydrophobicContact CD-CB 3.94Å; A39-Q46 HydrophobicContact CB-CB 4.36Å |
| 40 | C | 97 | Very high | 94.9 | Very high | 15 Ų | 15 | 86.3 Ų | 86.3 | 10% | 0.101 | 41% | 0.411 | C | S | . | . | trans | -78.3 | 151.2 | 171.2 | -166.3 | 0 | 0 | 0 | 0 | 110.6 | C18 L25 N42 C43 Y45 | C18-C40 HydrophobicContact CB-CB 4.16Å; L25-C40 HydrophobicContact CD2-CB 3.84Å; C40-N42 PolarHBondContact SG-N 3.4Å; C40-C43 WeakPolarHBondContact CB-SG 3.44Å; C40-Y45 PolarHBondContact N-O 3.44Å | ||
| 41 | R | 95.6 | Very high | 94.5 | Very high | 184 Ų | 184 | 89 Ų | 89 | 69% | 0.694 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -91.4 | -16.7 | 172.6 | -69.4 | -175.2 | -179.4 | -169.6 | -1.2 | 113.7 | Y26 | Y26-R41 HydrophobicContact CD2-CG 3.74Å; Y26-R41 HydrophobicContact CE2-CG 3.93Å |
| 42 | N | 94.5 | Very high | 94.2 | Very high | 120 Ų | 120 | 86.5 Ų | 86.5 | 64% | 0.642 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -104.4 | -14.8 | -171.8 | -67.9 | 76.4 | 0 | 0 | 0 | 113.4 | C40 | C40-N42 PolarHBondContact SG-N 3.4Š|
| 43 | C | 95.8 | Very high | 93.9 | Very high | 32 Ų | 32 | 79.9 Ų | 79.9 | 22% | 0.216 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -148.5 | 174.7 | 179.1 | 64.7 | 0 | 0 | 0 | 0 | 109.2 | C18 C40 Y45 | C18-C43 PolarHBondContact SG-SG 2.76Å; C40-C43 WeakPolarHBondContact CB-SG 3.44Å; C43-Y45 PolarHBondContact O-N 3.36Å |
| 44 | D | 95.8 | Very high | 93.7 | Very high | 162 Ų | 162 | 78.9 Ų | 78.9 | 87% | 0.866 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -84.1 | 4.2 | -176.3 | -61.2 | -45.2 | 0 | 0 | 0 | 113.8 | Q46 | D44-Q46 PolarHBondContact O-N 3.48Š|
| 45 | Y | 96.9 | Very high | 93.5 | Very high | 38 Ų | 38 | 76.4 Ų | 76.4 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | trans | -61.4 | 129.5 | 177.9 | -175.6 | -93.2 | 0 | 0 | 0 | 112 | C18 Q19 E20 L25 C40 C43 Q47 | C18-Y45 HydrophobicContact CB-CD1 4.35Å; C18-Y45 VanDerWaalsContact SG-CB 3.53Å; Q19-Y45 HydrophobicContact CB-CE2 4.17Å; Q19-Y45 HydrophobicContact CG-CE2 4.47Å; E20-Y45 HydrophobicContact CG-CD2 4.14Å; L25-Y45 HydrophobicContact CD1-CE1 4.18Å; L25-Y45 HydrophobicContact CD2-CD1 4Å; L25-Y45 HydrophobicContact CD2-CE1 4.41Å; C40-Y45 PolarHBondContact N-O 3.44Å; C43-Y45 PolarHBondContact O-N 3.36Å; Y45-Q47 HydrophobicContact CE1-CB 4.24Å; Y45-Q47 HydrophobicContact CE1-CG 4.32Å; Y45-Q47 PolarHBondContact OH-OE1 2.98Å | ||
| 46 | Q | 95.3 | Very high | 93.2 | Very high | 112 Ų | 112 | 75.9 Ų | 75.9 | 52% | 0.523 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 146.5 | 175 | 59.1 | -176.8 | 13.1 | 0 | 0 | 110.2 | Y38 A39 D44 | Y38-Q46 WeakPolarHBondContact O-CA 3.38Å; A39-Q46 HydrophobicContact CB-CB 4.36Å; D44-Q46 PolarHBondContact O-N 3.48Å |
| 47 | Q | 94.3 | Very high | 92.7 | Very high | 43 Ų | 43 | 79 Ų | 79 | 20% | 0.201 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 153.8 | 177.2 | 67.9 | -179.7 | 10.9 | 0 | 0 | 110.5 | L25 L37 Y38 Y45 | L25-Q47 HydrophobicContact CD1-CG 4.24Å; L25-Q47 VanDerWaalsContact CD1-NE2 3.29Å; L37-Q47 CarbonylContact C-O 3.48Å; L37-Q47 VanDerWaalsContact CA-O 3.27Å; L37-Q47 WeakPolarHBondContact CA-O 3.03Å; Y38-Q47 PolarHBondContact N-O 2.87Å; Y38-Q47 PolarHBondContact O-N 3Å; Y45-Q47 HydrophobicContact CE1-CB 4.24Å; Y45-Q47 HydrophobicContact CE1-CG 4.32Å; Y45-Q47 PolarHBondContact OH-OE1 2.98Å |
| 48 | E | 95 | Very high | 91.9 | Very high | 122 Ų | 122 | 82.8 Ų | 82.8 | 57% | 0.57 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 146.3 | 174 | -166.4 | 173.9 | 167.9 | 0 | 0 | 111.3 | I35 L37 | I35-E48 HydrophobicContact CD1-CG 4.49Å; L37-E48 HydrophobicContact CD2-CB 4.24Å |
| 49 | A | 92.1 | Very high | 91 | Very high | 15 Ų | 15 | 89 Ų | 89 | 12% | 0.124 | 45% | 0.451 | C | S | . | . | trans | -88.2 | 126.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L36 Y38 N51 | L36-A49 HydrophobicContact CB-CB 3.97Å; L36-A49 HydrophobicContact CD2-CB 3.66Å; L36-A49 HydrophobicContact CG-CB 3.62Å; L36-A49 WeakPolarHBondContact O-CB 3.3Å; L36-A49 PolarHBondContact O-N 3.28Å; Y38-A49 HydrophobicContact CD2-CB 3.7Å; Y38-A49 HydrophobicContact CE2-CB 3.54Å; A49-N51 PolarHBondContact O-N 3.12Å | ||
| 50 | D | 89.4 | Confident | 89.6 | Confident | 133 Ų | 133 | 94 Ų | 94 | 71% | 0.711 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -68.5 | -23.4 | 176.8 | -50.3 | -55.4 | 0 | 0 | 0 | 113.2 | R16 | R16-D50 IonicContact CZ-OD2 3.96Å; R16-D50 IonicContact NH1-OD2 2.84Å; R16-D50 PolarHBondContact NH1-OD2 2.84Å; R16-D50 IonicContact NH2-OD2 3.59Å; R16-D50 PolarHBondContact NH2-OD2 2.83Å |
| 51 | N | 87.1 | Confident | 88 | Confident | 93 Ų | 93 | 98.8 Ų | 98.8 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | trans | -133.8 | 136 | -178.6 | -171.6 | -20.1 | 0 | 0 | 0 | 109.4 | A49 C53 | A49-N51 PolarHBondContact O-N 3.12Å; N51-C53 PolarHBondContact O-N 3.28Å; N51-C53 VanDerWaalsContact OD1-CB 3.3Å; N51-C53 WeakPolarHBondContact OD1-CB 3.39Å; N51-C53 PolarHBondContact OD1-N 3.27Å | ||
| 52 | S | 88.6 | Confident | 86.3 | Confident | 106 Ų | 106 | 98.9 Ų | 98.9 | 74% | 0.741 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -75.4 | -9.7 | 177.2 | -46.9 | 0 | 0 | 0 | 0 | 113.8 | I54 | S52-I54 PolarHBondContact O-N 2.91Š|
| 53 | C | 89.3 | Confident | 84.7 | Confident | 36 Ų | 36 | 95.5 Ų | 95.5 | 24% | 0.243 | 49% | 0.493 | C | S | . | . | trans | -77.4 | 111.5 | 178.2 | -166.7 | 0 | 0 | 0 | 0 | 111.2 | V13 N51 V56 | V13-C53 HydrophobicContact CG2-CB 4.19Å; V13-C53 VanDerWaalsContact CG2-O 3.28Å; V13-C53 WeakPolarHBondContact CG2-O 3.3Å; N51-C53 PolarHBondContact O-N 3.28Å; N51-C53 VanDerWaalsContact OD1-CB 3.3Å; N51-C53 WeakPolarHBondContact OD1-CB 3.39Å; N51-C53 PolarHBondContact OD1-N 3.27Å; C53-V56 WeakPolarHBondContact SG-CG2 3.18Å | ||
| 54 | I | 89.9 | Confident | 83.3 | Confident | 84 Ų | 84 | 98.2 Ų | 98.2 | 43% | 0.431 | 51% | 0.505 | S | S | . | . | trans | -93.4 | -32.5 | -177.6 | -64.4 | 166.6 | 0 | 0 | 0 | 112.2 | P27 L36 S52 | P27-I54 HydrophobicContact CB-CD1 3.91Å; P27-I54 HydrophobicContact CB-CG1 4.12Å; P27-I54 HydrophobicContact CB-CG2 4.09Å; P27-I54 HydrophobicContact CG-CD1 4.46Å; P27-I54 HydrophobicContact CG-CG2 3.69Å; L36-I54 HydrophobicContact CD1-CD1 3.91Å; L36-I54 HydrophobicContact CD1-CG1 4.41Å; L36-I54 HydrophobicContact CD2-CD1 4.04Å; L36-I54 HydrophobicContact CD2-CG1 3.75Å; S52-I54 PolarHBondContact O-N 2.91Å | ||
| 55 | Y | 89.4 | Confident | 82.2 | Confident | 172 Ų | 172 | 91.2 Ų | 91.2 | 68% | 0.675 | 47% | 0.467 | S | S | * | . | trans | -148.6 | 135.6 | -175.3 | 175.9 | -106.4 | 0 | 0 | 0 | 110.3 | N57 | Y55-N57 HydrophobicContact CE1-CB 3.77Å; Y55-N57 WeakPolarHBondContact OH-CB 3.46Å | ||
| 56 | V | 88.3 | Confident | 81.1 | Confident | 38 Ų | 38 | 91 Ų | 91 | 23% | 0.23 | 47% | 0.469 | C | S | . | . | trans | -130 | 127.4 | 174.9 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | P10 V13 C53 K58 | P10-V56 HydrophobicContact CB-CG1 3.93Å; P10-V56 HydrophobicContact CB-CG2 3.77Å; P10-V56 HydrophobicContact CG-CG1 3.63Å; P10-V56 HydrophobicContact CG-CG2 4.39Å; V13-V56 HydrophobicContact CG2-CG2 3.86Å; C53-V56 WeakPolarHBondContact SG-CG2 3.18Å; V56-K58 HydrophobicContact CG1-CG 4Å | ||
| 57 | N | 84.1 | Confident | 80.1 | Confident | 101 Ų | 101 | 90.7 Ų | 90.7 | 54% | 0.54 | 47% | 0.474 | S | S | . | . | trans | -110.8 | 102.7 | 168 | -169.8 | 4.7 | 0 | 0 | 0 | 108.9 | Y55 I59 | Y55-N57 HydrophobicContact CE1-CB 3.77Å; Y55-N57 WeakPolarHBondContact OH-CB 3.46Å; N57-I59 PolarHBondContact O-N 3.2Å | ||
| 58 | K | 78.2 | Confident | 79.2 | Confident | 98 Ų | 98 | 95.1 Ų | 95.1 | 43% | 0.426 | 50% | 0.495 | S | S | . | . | trans | -80.7 | 95.9 | 171.8 | -68.4 | -166.3 | 176 | -168.9 | 0 | 108.4 | E9 P10 V56 | E9-K58 IonicContact OE2-NZ 3.95Å; P10-K58 WeakPolarHBondContact O-CE 3.18Å; V56-K58 HydrophobicContact CG1-CG 4Å | ||
| 59 | I | 77.3 | Confident | 78.7 | Confident | 151 Ų | 151 | 90.2 Ų | 90.2 | 77% | 0.774 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -68.6 | -41 | -178.9 | -57.4 | 176.7 | 0 | 0 | 0 | 110.5 | N57 | N57-I59 PolarHBondContact O-N 3.2Š|
| 60 | T | 68.7 | Low | 78.4 | Confident | 119 Ų | 119 | 94.8 Ų | 94.8 | 73% | 0.73 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -86.4 | 112.8 | 168.8 | 50.2 | 0 | 0 | 0 | 0 | 108.3 | E62 | T60-E62 PolarHBondContact O-N 3.28Š|
| 61 | H | 61.5 | Low | 78.3 | Confident | 116 Ų | 116 | 89.6 Ų | 89.6 | 54% | 0.537 | 47% | 0.469 | S | S | . | . | trans | -101.5 | 76.6 | -172.4 | -150.9 | -111.5 | 0 | 0 | 0 | 109.5 | V63 K104 | H61-V63 WeakPolarHBondContact CE1-CG2 3.47Å; H61-V63 WeakPolarHBondContact ND1-CG2 3.29Å; H61-V63 PolarHBondContact O-N 3.16Å; H61-K104 PolarHBondContact O-NZ 2.84Å | ||
| 62 | E | 61.8 | Low | 78.4 | Confident | 186 Ų | 186 | 91 Ų | 91 | 87% | 0.869 | 48% | 0.477 | S | S | * | . | trans | -74 | 68.6 | 161.4 | -65.2 | -178.5 | 159.8 | 0 | 0 | 107.6 | T60 D64 | T60-E62 PolarHBondContact O-N 3.28Å; E62-D64 PolarHBondContact O-N 3.4Å | ||
| 63 | V | 59.3 | Low | 78.4 | Confident | 49 Ų | 49 | 87.6 Ų | 87.6 | 30% | 0.297 | 45% | 0.451 | S | S | . | . | trans | -70.7 | 122 | 161.9 | 163 | 0 | 0 | 0 | 0 | 105.4 | H61 E65 Q68 | H61-V63 WeakPolarHBondContact CE1-CG2 3.47Å; H61-V63 WeakPolarHBondContact ND1-CG2 3.29Å; H61-V63 PolarHBondContact O-N 3.16Å; V63-E65 PolarHBondContact O-N 3.49Å; V63-Q68 HydrophobicContact CG1-CG 4.36Å | ||
| 64 | D | 67.7 | Low | 78.5 | Confident | 88 Ų | 88 | 86 Ų | 86 | 47% | 0.471 | 44% | 0.441 | S | S | . | . | trans | -60.9 | 95.1 | 165.6 | -178 | 17.4 | 0 | 0 | 0 | 107.4 | E62 L66 T67 | E62-D64 PolarHBondContact O-N 3.4Å; D64-L66 PolarHBondContact O-N 3.32Å; D64-L66 VanDerWaalsContact OD1-CB 3.24Å; D64-L66 WeakPolarHBondContact OD1-CB 3.49Å; D64-L66 WeakPolarHBondContact OD1-CD1 3.24Å; D64-L66 VanDerWaalsContact OD1-CG 3.28Å; D64-L66 WeakPolarHBondContact OD1-CG 3.28Å; D64-L66 PolarHBondContact OD1-N 2.97Å; D64-T67 HydrophobicContact CB-CG2 4.04Å; D64-T67 WeakPolarHBondContact O-CB 3.31Å; D64-T67 PolarHBondContact O-N 3.31Å; D64-T67 PolarHBondContact O-OG1 2.64Å | ||
| 65 | E | 70.9 | Confident | 78.4 | Confident | 16 Ų | 16 | 88.8 Ų | 88.8 | 8% | 0.075 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -57.1 | -21.6 | -177.7 | -60.1 | -157.2 | 150.4 | 0 | 0 | 111 | V63 T67 Q68 I69 S100 S102 Y112 | V63-E65 PolarHBondContact O-N 3.49Å; E65-T67 PolarHBondContact O-N 3.42Å; E65-Q68 PolarHBondContact O-N 3.41Å; E65-I69 WeakPolarHBondContact O-CG1 3.39Å; E65-I69 PolarHBondContact O-N 3.46Å; E65-S100 WeakPolarHBondContact OE2-CB 3.47Å; E65-S100 PolarHBondContact OE2-OG 3.13Å; E65-S102 VanDerWaalsContact OE1-CB 3.3Å; E65-S102 WeakPolarHBondContact OE1-CB 3.47Å; E65-S102 PolarHBondContact OE1-OG 3.04Å; E65-Y112 HydrophobicContact CB-CE1 3.88Å; E65-Y112 PolarHBondContact OE2-OH 3.2Å |
| 66 | L | 74.8 | Confident | 78.5 | Confident | 34 Ų | 34 | 83.5 Ų | 83.5 | 18% | 0.178 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -56 | -32.3 | 170.8 | -60.5 | 172.6 | 0 | 0 | 0 | 112.8 | D64 Q68 I69 Y112 R123 T125 | D64-L66 PolarHBondContact O-N 3.32Å; D64-L66 VanDerWaalsContact OD1-CB 3.24Å; D64-L66 WeakPolarHBondContact OD1-CB 3.49Å; D64-L66 WeakPolarHBondContact OD1-CD1 3.24Å; D64-L66 VanDerWaalsContact OD1-CG 3.28Å; D64-L66 WeakPolarHBondContact OD1-CG 3.28Å; D64-L66 PolarHBondContact OD1-N 2.97Å; L66-Q68 VanDerWaalsContact C-N 3.26Å; L66-Q68 PolarHBondContact O-N 3.01Å; L66-I69 HydrophobicContact CD2-CD1 4.39Å; L66-I69 PolarHBondContact O-N 2.94Å; L66-Y112 HydrophobicContact CD2-CD1 3.68Å; L66-Y112 HydrophobicContact CD2-CE1 4.16Å; L66-Y112 HydrophobicContact CG-CD1 4.45Å; L66-Y112 HydrophobicContact CG-CE1 4.46Å; L66-R123 HydrophobicContact CD2-CB 4.16Å; L66-T125 HydrophobicContact CD1-CG2 4.48Å |
| 67 | T | 73.4 | Confident | 78.6 | Confident | 104 Ų | 104 | 87.2 Ų | 87.2 | 64% | 0.638 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -68.9 | -24.7 | 177.3 | 63.6 | 0 | 0 | 0 | 0 | 113.1 | D64 E65 | D64-T67 HydrophobicContact CB-CG2 4.04Å; D64-T67 WeakPolarHBondContact O-CB 3.31Å; D64-T67 PolarHBondContact O-N 3.31Å; D64-T67 PolarHBondContact O-OG1 2.64Å; E65-T67 PolarHBondContact O-N 3.42Å |
| 68 | Q | 76.8 | Confident | 79 | Confident | 136 Ų | 136 | 87.9 Ų | 87.9 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -17.9 | 177.4 | -61.8 | -171.5 | -15.8 | 0 | 0 | 112.4 | V63 E65 L66 I70 | V63-Q68 HydrophobicContact CG1-CG 4.36Å; E65-Q68 PolarHBondContact O-N 3.41Å; L66-Q68 VanDerWaalsContact C-N 3.26Å; L66-Q68 PolarHBondContact O-N 3.01Å; Q68-I70 PolarHBondContact O-N 2.85Å |
| 69 | I | 83.6 | Confident | 79.7 | Confident | 19 Ų | 19 | 85.1 Ų | 85.1 | 10% | 0.097 | 46% | 0.458 | C | S | . | . | trans | -77.2 | 122.4 | -179.5 | -65.8 | 170.2 | 0 | 0 | 0 | 110 | E65 L66 V73 F98 Y112 V114 R123 | E65-I69 WeakPolarHBondContact O-CG1 3.39Å; E65-I69 PolarHBondContact O-N 3.46Å; L66-I69 HydrophobicContact CD2-CD1 4.39Å; L66-I69 PolarHBondContact O-N 2.94Å; I69-V73 HydrophobicContact CG2-CG1 4.27Å; I69-F98 HydrophobicContact CB-CZ 4.32Å; I69-F98 HydrophobicContact CD1-CE2 3.94Å; I69-F98 HydrophobicContact CD1-CZ 3.63Å; I69-F98 HydrophobicContact CG1-CE2 4.1Å; I69-F98 HydrophobicContact CG1-CZ 3.75Å; I69-F98 HydrophobicContact CG2-CE1 4.24Å; I69-F98 HydrophobicContact CG2-CZ 3.64Å; I69-Y112 HydrophobicContact CD1-CD1 3.39Å; I69-Y112 HydrophobicContact CD1-CD2 4.34Å; I69-Y112 HydrophobicContact CD1-CE1 4.19Å; I69-Y112 HydrophobicContact CD1-CG 3.48Å; I69-Y112 VanDerWaalsContact CD1-CG 3.48Å; I69-V114 HydrophobicContact CG2-CG2 3.74Å; I69-R123 HydrophobicContact CB-CG 4.47Å; I69-R123 HydrophobicContact CG2-CG 3.94Å; I69-R123 WeakPolarHBondContact O-CD 3.32Å; I69-R123 PolarHBondContact O-NH1 3.16Å | ||
| 70 | I | 86.9 | Confident | 80.4 | Confident | 112 Ų | 112 | 80.9 Ų | 80.9 | 57% | 0.574 | 44% | 0.44 | S | S | * | . | trans | -87.1 | 136.1 | 176.7 | -50.6 | 173.2 | 0 | 0 | 0 | 108.6 | Q68 D72 V73 | Q68-I70 PolarHBondContact O-N 2.85Å; I70-D72 HydrophobicContact CG2-CB 4.11Å; I70-D72 PolarHBondContact O-N 3.2Å; I70-V73 WeakPolarHBondContact O-CB 3.42Å; I70-V73 WeakPolarHBondContact O-CG1 3.47Å; I70-V73 PolarHBondContact O-N 3.02Å | ||
| 71 | A | 87.5 | Confident | 81.6 | Confident | 23 Ų | 23 | 80.1 Ų | 80.1 | 19% | 0.19 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -63.5 | -24.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V73 A74 | A71-V73 PolarHBondContact O-N 3.29Å; A71-V73 VanDerWaalsContact O-N 3.13Å; A71-A74 WeakPolarHBondContact O-CB 3.36Å; A71-A74 PolarHBondContact O-N 3.06Å; A71-A74 VanDerWaalsContact O-N 3.11Å |
| 72 | D | 88.1 | Confident | 83.1 | Confident | 123 Ų | 123 | 75.5 Ų | 75.5 | 66% | 0.658 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -65.4 | -14.6 | -179.6 | -62.1 | -19 | 0 | 0 | 0 | 113.3 | I70 A74 Q75 | I70-D72 HydrophobicContact CG2-CB 4.11Å; I70-D72 PolarHBondContact O-N 3.2Å; D72-A74 PolarHBondContact O-N 3.33Å; D72-A74 VanDerWaalsContact O-N 3.11Å; D72-Q75 WeakPolarHBondContact O-CB 3.16Å; D72-Q75 PolarHBondContact O-N 3.35Å |
| 73 | V | 89.5 | Confident | 84.7 | Confident | 34 Ų | 34 | 72.7 Ų | 72.7 | 21% | 0.206 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -56.2 | -25.3 | 170.7 | 76.5 | 0 | 0 | 0 | 0 | 112.2 | I69 I70 A71 Q75 D76 L79 F98 V114 | I69-V73 HydrophobicContact CG2-CG1 4.27Å; I70-V73 WeakPolarHBondContact O-CB 3.42Å; I70-V73 WeakPolarHBondContact O-CG1 3.47Å; I70-V73 PolarHBondContact O-N 3.02Å; A71-V73 PolarHBondContact O-N 3.29Å; A71-V73 VanDerWaalsContact O-N 3.13Å; V73-Q75 PolarHBondContact O-N 3.19Å; V73-Q75 VanDerWaalsContact O-N 3.15Å; V73-D76 WeakPolarHBondContact O-CB 3.06Å; V73-D76 PolarHBondContact O-N 2.75Å; V73-D76 VanDerWaalsContact O-N 3.15Å; V73-L79 HydrophobicContact CG2-CD1 3.26Å; V73-F98 HydrophobicContact CG1-CE1 3.86Å; V73-F98 HydrophobicContact CG1-CZ 4.47Å; V73-F98 HydrophobicContact CG2-CD1 4.27Å; V73-F98 HydrophobicContact CG2-CE1 3.93Å; V73-F98 HydrophobicContact CG2-CZ 4.46Å; V73-V114 HydrophobicContact CG1-CB 3.98Å; V73-V114 HydrophobicContact CG1-CG1 4.08Å; V73-V114 HydrophobicContact CG1-CG2 3.58Å |
| 74 | A | 90.2 | Very high | 86.2 | Confident | 3 Ų | 3 | 77 Ų | 77 | 3% | 0.025 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -64.4 | -14.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | A71 D72 R81 V114 T116 | A71-A74 WeakPolarHBondContact O-CB 3.36Å; A71-A74 PolarHBondContact O-N 3.06Å; A71-A74 VanDerWaalsContact O-N 3.11Å; D72-A74 PolarHBondContact O-N 3.33Å; D72-A74 VanDerWaalsContact O-N 3.11Å; A74-R81 PolarHBondContact O-NH2 2.84Å; A74-V114 HydrophobicContact CB-CG1 4.16Å; A74-T116 HydrophobicContact CB-CG2 4.31Å |
| 75 | Q | 89.2 | Confident | 87.3 | Confident | 143 Ų | 143 | 75.1 Ų | 75.1 | 67% | 0.668 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -93.3 | -8.5 | 178.1 | -56.8 | -54.8 | -39.7 | 0 | 0 | 113.1 | D72 V73 P77 | D72-Q75 WeakPolarHBondContact O-CB 3.16Å; D72-Q75 PolarHBondContact O-N 3.35Å; V73-Q75 PolarHBondContact O-N 3.19Å; V73-Q75 VanDerWaalsContact O-N 3.15Å; Q75-P77 VanDerWaalsContact O-CD 3.29Å; Q75-P77 WeakPolarHBondContact O-CD 3.05Å |
| 76 | D | 90.6 | Very high | 88.2 | Confident | 61 Ų | 61 | 77.9 Ų | 77.9 | 33% | 0.326 | 42% | 0.42 | S | S | . | . | trans | -69.7 | 117.7 | 177.9 | -167.8 | -32.5 | 0 | 0 | 0 | 109.8 | V73 T78 L79 | V73-D76 WeakPolarHBondContact O-CB 3.06Å; V73-D76 PolarHBondContact O-N 2.75Å; V73-D76 VanDerWaalsContact O-N 3.15Å; D76-T78 PolarHBondContact O-N 2.84Å; D76-T78 WeakPolarHBondContact OD1-CA 3.25Å; D76-T78 VanDerWaalsContact OD1-CB 3.32Å; D76-T78 WeakPolarHBondContact OD1-CB 3.44Å; D76-T78 PolarHBondContact OD1-N 3.18Å; D76-T78 PolarHBondContact OD1-OG1 2.81Å; D76-T78 PolarHBondContact OD2-OG1 2.82Å; D76-L79 HydrophobicContact CB-CD1 3.85Å; D76-L79 HydrophobicContact CB-CG 3.95Å | ||
| 77 | P | 90.6 | Very high | 89.2 | Confident | 116 Ų | 116 | 76.4 Ų | 76.4 | 75% | 0.753 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12.4 | -179.9 | 31.5 | -35.9 | 0 | 0 | 0 | 113.1 | Q75 | Q75-P77 VanDerWaalsContact O-CD 3.29Å; Q75-P77 WeakPolarHBondContact O-CD 3.05Å |
| 78 | T | 91.9 | Very high | 90.1 | Very high | 115 Ų | 115 | 76 Ų | 76 | 71% | 0.706 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -15.2 | -179.1 | 71.3 | 0 | 0 | 0 | 0 | 113 | D76 | D76-T78 PolarHBondContact O-N 2.84Å; D76-T78 WeakPolarHBondContact OD1-CA 3.25Å; D76-T78 VanDerWaalsContact OD1-CB 3.32Å; D76-T78 WeakPolarHBondContact OD1-CB 3.44Å; D76-T78 PolarHBondContact OD1-N 3.18Å; D76-T78 PolarHBondContact OD1-OG1 2.81Å; D76-T78 PolarHBondContact OD2-OG1 2.82Å |
| 79 | L | 92.4 | Very high | 90.9 | Very high | 39 Ų | 39 | 76.4 Ų | 76.4 | 20% | 0.204 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -83.7 | 142.4 | 179.1 | -65.9 | 178.9 | 0 | 0 | 0 | 112 | V73 D76 V96 F98 | V73-L79 HydrophobicContact CG2-CD1 3.26Å; D76-L79 HydrophobicContact CB-CD1 3.85Å; D76-L79 HydrophobicContact CB-CG 3.95Å; L79-V96 HydrophobicContact CB-CG1 3.6Å; L79-V96 HydrophobicContact CD1-CG1 3.73Å; L79-V96 HydrophobicContact CG-CG1 4.33Å; L79-F98 HydrophobicContact CD1-CD1 4.43Å; L79-F98 HydrophobicContact CD2-CB 4.32Å |
| 80 | P | 93.4 | Very high | 91.3 | Very high | 63 Ų | 63 | 78.8 Ų | 78.8 | 41% | 0.409 | 43% | 0.428 | S | S | . | . | trans | -71.2 | 148.5 | 179.6 | 32 | -36 | 0 | 0 | 0 | 111.4 | V96 F97 | P80-V96 WeakPolarHBondContact O-CA 3.34Å; P80-F97 HydrophobicContact CB-CD1 4.31Å; P80-F97 HydrophobicContact CB-CE1 3.59Å; P80-F97 HydrophobicContact CB-CE2 4.3Å; P80-F97 HydrophobicContact CB-CZ 3.58Å; P80-F97 WeakPolarHBondContact CD-O 3.41Å; P80-F97 HydrophobicContact CG-CD1 4.16Å; P80-F97 HydrophobicContact CG-CD2 4.14Å; P80-F97 HydrophobicContact CG-CE1 3.77Å; P80-F97 HydrophobicContact CG-CE2 3.75Å; P80-F97 HydrophobicContact CG-CG 4.34Å; P80-F97 HydrophobicContact CG-CZ 3.55Å; P80-F97 WeakPolarHBondContact CG-O 3.43Å; P80-F97 PolarHBondContact O-N 3.11Å; P80-F97 VanDerWaalsContact O-N 3.13Å | ||
| 81 | R | 94.3 | Very high | 91.5 | Very high | 102 Ų | 102 | 76 Ų | 76 | 39% | 0.385 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 146.5 | 178.9 | -61 | -177.1 | -176.2 | -110.6 | -13.1 | 110.1 | A74 E94 A95 V96 | A74-R81 PolarHBondContact O-NH2 2.84Å; R81-E94 HydrophobicContact CB-CG 4.32Å; R81-E94 IonicContact CZ-OE1 3.89Å; R81-E94 IonicContact NH1-OE1 2.83Å; R81-E94 PolarHBondContact NH1-OE1 3.21Å; R81-A95 CarbonylContact C-O 3.53Å; R81-A95 WeakPolarHBondContact CA-O 3.41Å; R81-V96 HydrophobicContact CG-CG2 3.8Å |
| 82 | T | 92.9 | Very high | 91.8 | Very high | 19 Ų | 19 | 78.4 Ų | 78.4 | 12% | 0.117 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 148.9 | 174.3 | -178.3 | 0 | 0 | 0 | 0 | 110.6 | D84 H85 E94 A95 F97 Y113 | T82-D84 PolarHBondContact OG1-N 2.9Å; T82-D84 VanDerWaalsContact OG1-N 3.09Å; T82-D84 PolarHBondContact OG1-OD2 2.82Å; T82-H85 HydrophobicContact CG2-CB 4.48Å; T82-E94 WeakPolarHBondContact O-CA 3.1Å; T82-A95 PolarHBondContact N-O 3.11Å; T82-A95 PolarHBondContact O-N 3.44Å; T82-F97 HydrophobicContact CG2-CD1 3.84Å; T82-F97 HydrophobicContact CG2-CE1 4.29Å; T82-Y113 HydrophobicContact CG2-CD1 4.37Å; T82-Y113 HydrophobicContact CG2-CE1 4.11Å |
| 83 | E | 93.5 | Very high | 92 | Very high | 128 Ų | 128 | 78.9 Ų | 78.9 | 60% | 0.598 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -104 | -5.1 | 169.3 | -67.1 | -172.2 | -168.6 | 0 | 0 | 112.8 | H85 K93 | E83-H85 VanDerWaalsContact C-N 3.31Å; E83-H85 PolarHBondContact O-N 3.28Å; E83-K93 WeakPolarHBondContact CA-O 3.37Å; E83-K93 HydrophobicContact CB-CB 4.41Å |
| 84 | D | 90.9 | Very high | 92.2 | Very high | 139 Ų | 139 | 80 Ų | 80 | 74% | 0.743 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -74.7 | -24.3 | -173.6 | -61.3 | -44.7 | 0 | 0 | 0 | 112.4 | T82 P86 | T82-D84 PolarHBondContact OG1-N 2.9Å; T82-D84 VanDerWaalsContact OG1-N 3.09Å; T82-D84 PolarHBondContact OG1-OD2 2.82Å; D84-P86 VanDerWaalsContact O-CD 3.25Å; D84-P86 WeakPolarHBondContact O-CD 3.37Å |
| 85 | H | 90.7 | Very high | 92.4 | Very high | 49 Ų | 49 | 79.9 Ų | 79.9 | 23% | 0.227 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -113.5 | 86.1 | -178.2 | -61.7 | -88.8 | 0 | 0 | 0 | 110.4 | T82 E83 Y113 E126 | T82-H85 HydrophobicContact CG2-CB 4.48Å; E83-H85 VanDerWaalsContact C-N 3.31Å; E83-H85 PolarHBondContact O-N 3.28Å; H85-Y113 HydrophobicContact CB-CD1 4.28Å; H85-Y113 HydrophobicContact CB-CE1 4.09Å; H85-Y113 AromaticContact CD2-CE1 3.85Å; H85-Y113 AromaticContact CG-CE1 3.9Å; H85-Y113 AromaticContact CG-CZ 3.99Å; H85-E126 IonicContact CE1-OE1 3.18Å; H85-E126 IonicContact CE1-OE2 2.7Å; H85-E126 PolarHBondContact CE1-OE2 3.26Å; H85-E126 IonicContact CG-OE1 3.04Å; H85-E126 IonicContact ND1-OE1 2.95Å; H85-E126 PolarHBondContact ND1-OE1 2.62Å; H85-E126 IonicContact ND1-OE2 2.76Å; H85-E126 PolarHBondContact ND1-OE2 3.33Å |
| 86 | P | 91.8 | Very high | 92.6 | Very high | 74 Ų | 74 | 73 Ų | 73 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | trans | -68.3 | 144.3 | -179.7 | 28.6 | -35 | 0 | 0 | 0 | 111.5 | D84 P88 H92 | D84-P86 VanDerWaalsContact O-CD 3.25Å; D84-P86 WeakPolarHBondContact O-CD 3.37Å; P86-P88 WeakPolarHBondContact O-CD 3.46Å; P86-H92 CarbonylContact C-O 3.6Å; P86-H92 WeakPolarHBondContact CA-O 3.34Å | ||
| 87 | C | 93.9 | Very high | 92.7 | Very high | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.02 | 40% | 0.396 | C | S | . | . | trans | -60.9 | 122.1 | -179.4 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | K89 G91 H92 C115 C120 W124 | C87-K89 PolarHBondContact O-N 3.36Å; C87-K89 VanDerWaalsContact O-N 3.16Å; C87-K89 PolarHBondContact SG-N 3.36Å; C87-G91 VanDerWaalsContact O-CA 3.29Å; C87-G91 WeakPolarHBondContact O-CA 3.28Å; C87-G91 PolarHBondContact O-N 3.04Å; C87-H92 PolarHBondContact N-O 2.82Å; C87-C115 HydrophobicContact CB-CB 3.95Å; C87-C120 VanDerWaalsContact SG-SG 3.66Å; C87-W124 HydrophobicContact CB-CH2 4Å; C87-W124 HydrophobicContact CB-CZ3 4.2Å | ||
| 88 | P | 93.2 | Very high | 92.7 | Very high | 94 Ų | 94 | 68.8 Ų | 68.8 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -17.1 | -178.6 | 26.7 | -35.3 | 0 | 0 | 0 | 113.3 | P86 H122 W124 | P86-P88 WeakPolarHBondContact O-CD 3.46Å; P88-H122 WeakPolarHBondContact CG-NE2 3.35Å; P88-W124 HydrophobicContact CG-CD2 4.32Å; P88-W124 HydrophobicContact CG-CG 4.32Å |
| 89 | K | 93 | Very high | 92.4 | Very high | 146 Ų | 146 | 68.7 Ų | 68.7 | 64% | 0.635 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -42.9 | -179.3 | -171.7 | 179.9 | -179.7 | -174.9 | 0 | 113.7 | C87 H122 | C87-K89 PolarHBondContact O-N 3.36Å; C87-K89 VanDerWaalsContact O-N 3.16Å; C87-K89 PolarHBondContact SG-N 3.36Å; K89-H122 HydrophobicContact CB-CB 4.03Å; K89-H122 HydrophobicContact CD-CB 4.03Å |
| 90 | C | 93.3 | Very high | 91.6 | Very high | 68 Ų | 68 | 68.4 Ų | 68.4 | 46% | 0.459 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | -6.7 | -173.5 | 68.6 | 0 | 0 | 0 | 0 | 114.5 | H92 C115 C120 | C90-H92 PolarHBondContact O-N 2.89Å; C90-H92 VanDerWaalsContact SG-CB 3.5Å; C90-C115 VanDerWaalsContact SG-SG 3.68Å; C90-C120 PolarHBondContact SG-SG 3.49Å |
| 91 | G | 91.4 | Very high | 90.5 | Very high | 53 Ų | 53 | 74.2 Ų | 74.2 | 55% | 0.546 | 38% | 0.382 | S | S | . | . | trans | 71.3 | 8.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | C87 | C87-G91 VanDerWaalsContact O-CA 3.29Å; C87-G91 WeakPolarHBondContact O-CA 3.28Å; C87-G91 PolarHBondContact O-N 3.04Å | ||
| 92 | H | 93.2 | Very high | 89.2 | Confident | 75 Ų | 75 | 71.4 Ų | 71.4 | 35% | 0.347 | 38% | 0.377 | S | S | . | . | trans | -65.4 | 137.4 | 173 | -171.7 | 68.5 | 0 | 0 | 0 | 110.3 | P86 C87 C90 E94 T116 A117 | P86-H92 CarbonylContact C-O 3.6Å; P86-H92 WeakPolarHBondContact CA-O 3.34Å; C87-H92 PolarHBondContact N-O 2.82Å; C90-H92 PolarHBondContact O-N 2.89Å; C90-H92 VanDerWaalsContact SG-CB 3.5Å; H92-E94 PolarHBondContact CD2-O 3.31Å; H92-T116 PolarHBondContact NE2-OG1 2.98Å; H92-A117 HydrophobicContact CB-CB 3.86Å | ||
| 93 | K | 93 | Very high | 87.9 | Confident | 132 Ų | 132 | 79.9 Ų | 79.9 | 57% | 0.574 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -78.7 | -37.8 | -171.2 | -63.6 | -175 | 178.6 | -174.7 | 0 | 113.3 | E83 | E83-K93 WeakPolarHBondContact CA-O 3.37Å; E83-K93 HydrophobicContact CB-CB 4.41Å |
| 94 | E | 93.3 | Very high | 86.4 | Confident | 58 Ų | 58 | 77.8 Ų | 77.8 | 27% | 0.271 | 41% | 0.407 | S | S | . | . | trans | -82 | 129.6 | -173.9 | -167.9 | -170.2 | 87.7 | 0 | 0 | 111.7 | R81 T82 H92 T116 | R81-E94 HydrophobicContact CB-CG 4.32Å; R81-E94 IonicContact CZ-OE1 3.89Å; R81-E94 IonicContact NH1-OE1 2.83Å; R81-E94 PolarHBondContact NH1-OE1 3.21Å; T82-E94 WeakPolarHBondContact O-CA 3.1Å; H92-E94 PolarHBondContact CD2-O 3.31Å; E94-T116 WeakPolarHBondContact CB-OG1 3.38Å; E94-T116 HydrophobicContact CG-CG2 4.11Å; E94-T116 PolarHBondContact O-N 2.78Å; E94-T116 PolarHBondContact O-OG1 3.27Å; E94-T116 VanDerWaalsContact OE1-CB 3.28Å; E94-T116 WeakPolarHBondContact OE1-CB 3.47Å; E94-T116 WeakPolarHBondContact OE1-CG2 3.49Å; E94-T116 PolarHBondContact OE1-OG1 2.77Å | ||
| 95 | A | 94.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 139 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | R81 T82 Y113 V114 W124 | R81-A95 CarbonylContact C-O 3.53Å; R81-A95 WeakPolarHBondContact CA-O 3.41Å; T82-A95 PolarHBondContact N-O 3.11Å; T82-A95 PolarHBondContact O-N 3.44Å; A95-Y113 HydrophobicContact CB-CD1 4.37Å; A95-V114 WeakPolarHBondContact CA-O 3.29Å; A95-W124 HydrophobicContact CB-CH2 3.63Å; A95-W124 HydrophobicContact CB-CZ2 3.99Å |
| 96 | V | 93.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 139.3 | 165.4 | 165.5 | 0 | 0 | 0 | 0 | 108.1 | L79 P80 R81 Y113 V114 T116 | L79-V96 HydrophobicContact CB-CG1 3.6Å; L79-V96 HydrophobicContact CD1-CG1 3.73Å; L79-V96 HydrophobicContact CG-CG1 4.33Å; P80-V96 WeakPolarHBondContact O-CA 3.34Å; R81-V96 HydrophobicContact CG-CG2 3.8Å; V96-Y113 CarbonylContact O-C 3.56Å; V96-Y113 WeakPolarHBondContact O-CA 3.3Å; V96-V114 PolarHBondContact N-O 3.43Å; V96-V114 PolarHBondContact O-N 3.32Å; V96-T116 HydrophobicContact CB-CG2 4.46Å; V96-T116 HydrophobicContact CG2-CG2 3.79Å |
| 97 | F | 92.3 | Very high | 81.9 | Confident | 54 Ų | 54 | 79.9 Ų | 79.9 | 24% | 0.237 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 150.2 | 177 | 71.4 | -84.3 | 0 | 0 | 0 | 113.2 | P80 T82 L111 Y112 Y113 | P80-F97 HydrophobicContact CB-CD1 4.31Å; P80-F97 HydrophobicContact CB-CE1 3.59Å; P80-F97 HydrophobicContact CB-CE2 4.3Å; P80-F97 HydrophobicContact CB-CZ 3.58Å; P80-F97 WeakPolarHBondContact CD-O 3.41Å; P80-F97 HydrophobicContact CG-CD1 4.16Å; P80-F97 HydrophobicContact CG-CD2 4.14Å; P80-F97 HydrophobicContact CG-CE1 3.77Å; P80-F97 HydrophobicContact CG-CE2 3.75Å; P80-F97 HydrophobicContact CG-CG 4.34Å; P80-F97 HydrophobicContact CG-CZ 3.55Å; P80-F97 WeakPolarHBondContact CG-O 3.43Å; P80-F97 PolarHBondContact O-N 3.11Å; P80-F97 VanDerWaalsContact O-N 3.13Å; T82-F97 HydrophobicContact CG2-CD1 3.84Å; T82-F97 HydrophobicContact CG2-CE1 4.29Å; F97-L111 HydrophobicContact CD2-CD1 4.21Å; F97-L111 HydrophobicContact CD2-CD2 4.1Å; F97-Y112 CarbonylContact C-O 3.59Å; F97-Y112 WeakPolarHBondContact CA-O 3.22Å; F97-Y112 WeakPolarHBondContact CB-O 2.96Å; F97-Y113 HydrophobicContact CB-CD1 3.59Å; F97-Y113 HydrophobicContact CB-CE1 3.68Å; F97-Y113 HydrophobicContact CB-CG 4.4Å; F97-Y113 HydrophobicContact CG-CE1 4.28Å |
| 98 | F | 89.8 | Confident | 80.3 | Confident | 34 Ų | 34 | 82.6 Ų | 82.6 | 15% | 0.149 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 165.3 | 178.1 | 58.2 | -86.1 | 0 | 0 | 0 | 111.1 | I69 V73 L79 Y112 V114 | I69-F98 HydrophobicContact CB-CZ 4.32Å; I69-F98 HydrophobicContact CD1-CE2 3.94Å; I69-F98 HydrophobicContact CD1-CZ 3.63Å; I69-F98 HydrophobicContact CG1-CE2 4.1Å; I69-F98 HydrophobicContact CG1-CZ 3.75Å; I69-F98 HydrophobicContact CG2-CE1 4.24Å; I69-F98 HydrophobicContact CG2-CZ 3.64Å; V73-F98 HydrophobicContact CG1-CE1 3.86Å; V73-F98 HydrophobicContact CG1-CZ 4.47Å; V73-F98 HydrophobicContact CG2-CD1 4.27Å; V73-F98 HydrophobicContact CG2-CE1 3.93Å; V73-F98 HydrophobicContact CG2-CZ 4.46Å; L79-F98 HydrophobicContact CD1-CD1 4.43Å; L79-F98 HydrophobicContact CD2-CB 4.32Å; F98-Y112 PolarHBondContact N-O 3.16Å; F98-Y112 PolarHBondContact O-N 2.65Å; F98-V114 HydrophobicContact CE1-CG2 3.93Å |
| 99 | Q | 86.9 | Confident | 79.5 | Confident | 112 Ų | 112 | 86.2 Ų | 86.2 | 52% | 0.523 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 147.3 | 170.5 | -68.4 | 177.2 | 5.5 | 0 | 0 | 109.8 | L111 | Q99-L111 HydrophobicContact CG-CD2 3.64Å |
| 100 | S | 75.4 | Confident | 79 | Confident | 34 Ų | 34 | 85.6 Ų | 85.6 | 24% | 0.238 | 45% | 0.45 | C | S | . | . | trans | -59.2 | 144 | 176.3 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | E65 S102 | E65-S100 WeakPolarHBondContact OE2-CB 3.47Å; E65-S100 PolarHBondContact OE2-OG 3.13Å; S100-S102 PolarHBondContact O-N 2.95Å; S100-S102 WeakPolarHBondContact OG-CB 3.35Å; S100-S102 PolarHBondContact OG-N 2.95Å; S100-S102 VanDerWaalsContact OG-N 3.16Å | ||
| 101 | H | 69.1 | Low | 78.7 | Confident | 185 Ų | 185 | 84.8 Ų | 84.8 | 86% | 0.856 | 44% | 0.441 | S | S | * | . | trans | -80.8 | 2.4 | 170.4 | -66.7 | -67.3 | 0 | 0 | 0 | 112.7 | M103 | H101-M103 PolarHBondContact O-N 3.48Š| ||
| 102 | S | 68.1 | Low | 78.7 | Confident | 42 Ų | 42 | 82.6 Ų | 82.6 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | trans | -62.2 | 130.1 | 179.5 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | E65 S100 K104 | E65-S102 VanDerWaalsContact OE1-CB 3.3Å; E65-S102 WeakPolarHBondContact OE1-CB 3.47Å; E65-S102 PolarHBondContact OE1-OG 3.04Å; S100-S102 PolarHBondContact O-N 2.95Å; S100-S102 WeakPolarHBondContact OG-CB 3.35Å; S100-S102 PolarHBondContact OG-N 2.95Å; S100-S102 VanDerWaalsContact OG-N 3.16Å; S102-K104 PolarHBondContact O-N 3.09Å | ||
| 103 | M | 64.7 | Low | 78.6 | Confident | 197 Ų | 197 | 79.6 Ų | 79.6 | 97% | 0.97 | 40% | 0.402 | S | S | * | . | trans | -76.5 | 5.9 | 175.8 | -58.4 | -170.2 | 86.8 | 0 | 0 | 112.9 | H101 A105 | H101-M103 PolarHBondContact O-N 3.48Å; M103-A105 PolarHBondContact O-N 2.9Å | ||
| 104 | K | 63.3 | Low | 78.7 | Confident | 85 Ų | 85 | 73.3 Ų | 73.3 | 37% | 0.37 | 37% | 0.374 | S | S | . | . | trans | -75.3 | 121.7 | 177.7 | -68.7 | -178.2 | 179 | 179.5 | 0 | 109.6 | H61 S102 E106 D107 | H61-K104 PolarHBondContact O-NZ 2.84Å; S102-K104 PolarHBondContact O-N 3.09Å; K104-E106 PolarHBondContact O-N 3.31Å; K104-E106 VanDerWaalsContact O-N 3.16Å; K104-D107 PolarHBondContact O-N 2.92Å | ||
| 105 | A | 56.7 | Low | 78.7 | Confident | 91 Ų | 91 | 70.7 Ų | 70.7 | 75% | 0.752 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -62.7 | -21.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M103 A108 | M103-A105 PolarHBondContact O-N 2.9Å; A105-A108 WeakPolarHBondContact O-CB 3.11Å |
| 106 | E | 61.4 | Low | 78.7 | Confident | 187 Ų | 187 | 71.5 Ų | 71.5 | 87% | 0.874 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -75 | -22.9 | -177.6 | -63.7 | -175.5 | 151.4 | 0 | 0 | 113.3 | K104 | K104-E106 PolarHBondContact O-N 3.31Å; K104-E106 VanDerWaalsContact O-N 3.16Å |
| 107 | D | 60.6 | Low | 78.6 | Confident | 27 Ų | 27 | 72.3 Ų | 72.3 | 14% | 0.144 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -103.7 | 8.2 | -179 | -66.5 | -54.4 | 0 | 0 | 0 | 113.4 | K104 M109 R110 | K104-D107 PolarHBondContact O-N 2.92Å; D107-M109 PolarHBondContact O-N 2.9Å; D107-R110 PolarHBondContact O-N 3.04Å; D107-R110 IonicContact OD1-NH1 3.2Å; D107-R110 PolarHBondContact OD1-NH1 3.13Å |
| 108 | A | 60.7 | Low | 78.2 | Confident | 61 Ų | 61 | 75 Ų | 75 | 50% | 0.504 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -0.9 | -168 | 0 | 0 | 0 | 0 | 0 | 116.2 | A105 | A105-A108 WeakPolarHBondContact O-CB 3.11Š|
| 109 | M | 74.9 | Confident | 78 | Confident | 170 Ų | 170 | 82.9 Ų | 82.9 | 84% | 0.837 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.7 | 4 | 179.9 | -62.6 | -175.2 | -178.9 | 0 | 0 | 114.4 | D107 | D107-M109 PolarHBondContact O-N 2.9Š|
| 110 | R | 82.5 | Confident | 78.1 | Confident | 133 Ų | 133 | 78.5 Ų | 78.5 | 50% | 0.502 | 42% | 0.415 | S | S | . | . | trans | -75.9 | 136.6 | 178.4 | -82.5 | 178.5 | 160.3 | 158.4 | -6.6 | 110.8 | D107 Y112 | D107-R110 PolarHBondContact O-N 3.04Å; D107-R110 IonicContact OD1-NH1 3.2Å; D107-R110 PolarHBondContact OD1-NH1 3.13Å; R110-Y112 HydrophobicContact CB-CE2 4.25Å | ||
| 111 | L | 88.3 | Confident | 78.8 | Confident | 50 Ų | 50 | 77.7 Ų | 77.7 | 26% | 0.262 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 133.7 | 172.7 | -65.7 | -178.5 | 0 | 0 | 0 | 109.7 | F97 Q99 Y113 T125 | F97-L111 HydrophobicContact CD2-CD1 4.21Å; F97-L111 HydrophobicContact CD2-CD2 4.1Å; Q99-L111 HydrophobicContact CG-CD2 3.64Å; L111-Y113 HydrophobicContact CB-CE2 4.04Å; L111-T125 PolarHBondContact O-OG1 3.49Å |
| 112 | Y | 90.2 | Very high | 79.9 | Confident | 8 Ų | 8 | 71.5 Ų | 71.5 | 3% | 0.031 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.9 | 172.1 | -64.9 | -84.8 | 0 | 0 | 0 | 108.9 | E65 L66 I69 F97 F98 R110 | E65-Y112 HydrophobicContact CB-CE1 3.88Å; E65-Y112 PolarHBondContact OE2-OH 3.2Å; L66-Y112 HydrophobicContact CD2-CD1 3.68Å; L66-Y112 HydrophobicContact CD2-CE1 4.16Å; L66-Y112 HydrophobicContact CG-CD1 4.45Å; L66-Y112 HydrophobicContact CG-CE1 4.46Å; I69-Y112 HydrophobicContact CD1-CD1 3.39Å; I69-Y112 HydrophobicContact CD1-CD2 4.34Å; I69-Y112 HydrophobicContact CD1-CE1 4.19Å; I69-Y112 HydrophobicContact CD1-CG 3.48Å; I69-Y112 VanDerWaalsContact CD1-CG 3.48Å; F97-Y112 CarbonylContact C-O 3.59Å; F97-Y112 WeakPolarHBondContact CA-O 3.22Å; F97-Y112 WeakPolarHBondContact CB-O 2.96Å; F98-Y112 PolarHBondContact N-O 3.16Å; F98-Y112 PolarHBondContact O-N 2.65Å; R110-Y112 HydrophobicContact CB-CE2 4.25Å |
| 113 | Y | 91.9 | Very high | 81 | Confident | 12 Ų | 12 | 73.9 Ų | 73.9 | 5% | 0.047 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140.2 | -178.5 | -61.3 | -86.2 | 0 | 0 | 0 | 110.5 | T82 H85 A95 V96 F97 L111 R123 W124 E126 | T82-Y113 HydrophobicContact CG2-CD1 4.37Å; T82-Y113 HydrophobicContact CG2-CE1 4.11Å; H85-Y113 HydrophobicContact CB-CD1 4.28Å; H85-Y113 HydrophobicContact CB-CE1 4.09Å; H85-Y113 AromaticContact CD2-CE1 3.85Å; H85-Y113 AromaticContact CG-CE1 3.9Å; H85-Y113 AromaticContact CG-CZ 3.99Å; A95-Y113 HydrophobicContact CB-CD1 4.37Å; V96-Y113 CarbonylContact O-C 3.56Å; V96-Y113 WeakPolarHBondContact O-CA 3.3Å; F97-Y113 HydrophobicContact CB-CD1 3.59Å; F97-Y113 HydrophobicContact CB-CE1 3.68Å; F97-Y113 HydrophobicContact CB-CG 4.4Å; F97-Y113 HydrophobicContact CG-CE1 4.28Å; L111-Y113 HydrophobicContact CB-CE2 4.04Å; Y113-R123 VanDerWaalsContact O-CA 3.31Å; Y113-R123 WeakPolarHBondContact O-CA 3.48Å; Y113-W124 VanDerWaalsContact CB-CZ2 3.48Å; Y113-W124 AromaticContact CD2-NE1 3.75Å; Y113-W124 AromaticContact CG-CE2 3.93Å; Y113-W124 HydrophobicContact CG-CZ2 4.1Å; Y113-W124 AromaticContact CG-NE1 3.86Å; Y113-W124 PolarHBondContact N-O 2.8Å; Y113-W124 PolarHBondContact O-N 3.46Å; Y113-E126 HydrophobicContact CE2-CB 4.24Å; Y113-E126 HydrophobicContact CE2-CG 4.17Å |
| 114 | V | 93.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 124.7 | 175.8 | -172.3 | 0 | 0 | 0 | 0 | 109.7 | I69 V73 A74 A95 V96 F98 T116 H122 R123 | I69-V114 HydrophobicContact CG2-CG2 3.74Å; V73-V114 HydrophobicContact CG1-CB 3.98Å; V73-V114 HydrophobicContact CG1-CG1 4.08Å; V73-V114 HydrophobicContact CG1-CG2 3.58Å; A74-V114 HydrophobicContact CB-CG1 4.16Å; A95-V114 WeakPolarHBondContact CA-O 3.29Å; V96-V114 PolarHBondContact N-O 3.43Å; V96-V114 PolarHBondContact O-N 3.32Å; F98-V114 HydrophobicContact CE1-CG2 3.93Å; V114-T116 PolarHBondContact O-N 2.83Å; V114-H122 WeakPolarHBondContact CA-O 3.38Å; V114-R123 HydrophobicContact CG1-CG 4.21Å; V114-R123 HydrophobicContact CG2-CG 3.92Å |
| 115 | C | 94.5 | Very high | 83.4 | Confident | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.014 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 132.1 | -179.8 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | C87 C90 C120 H122 W124 | C87-C115 HydrophobicContact CB-CB 3.95Å; C90-C115 VanDerWaalsContact SG-SG 3.68Å; C115-C120 HydrophobicContact CB-CB 4.24Å; C115-H122 HydrophobicContact CB-CB 4.39Å; C115-H122 PolarHBondContact N-O 3.26Å; C115-W124 HydrophobicContact CB-CH2 4.38Å; C115-W124 HydrophobicContact CB-CZ3 3.93Å |
| 116 | T | 93.5 | Very high | 84.2 | Confident | 18 Ų | 18 | 67.6 Ų | 67.6 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | trans | -86.9 | -8.6 | -178 | 66.3 | 0 | 0 | 0 | 0 | 113.4 | A74 H92 E94 V96 V114 | A74-T116 HydrophobicContact CB-CG2 4.31Å; H92-T116 PolarHBondContact NE2-OG1 2.98Å; E94-T116 WeakPolarHBondContact CB-OG1 3.38Å; E94-T116 HydrophobicContact CG-CG2 4.11Å; E94-T116 PolarHBondContact O-N 2.78Å; E94-T116 PolarHBondContact O-OG1 3.27Å; E94-T116 VanDerWaalsContact OE1-CB 3.28Å; E94-T116 WeakPolarHBondContact OE1-CB 3.47Å; E94-T116 WeakPolarHBondContact OE1-CG2 3.49Å; E94-T116 PolarHBondContact OE1-OG1 2.77Å; V96-T116 HydrophobicContact CB-CG2 4.46Å; V96-T116 HydrophobicContact CG2-CG2 3.79Å; V114-T116 PolarHBondContact O-N 2.83Å | ||
| 117 | A | 91.8 | Very high | 85.3 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 14% | 0.14 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -60.3 | 132.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | H92 H119 C120 | H92-A117 HydrophobicContact CB-CB 3.86Å; A117-H119 PolarHBondContact O-N 3.37Å; A117-C120 HydrophobicContact CB-CB 3.9Å; A117-C120 PolarHBondContact O-N 3.15Å |
| 118 | P | 83.8 | Confident | 86.6 | Confident | 109 Ų | 109 | 63.5 Ų | 63.5 | 71% | 0.708 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 131.7 | 176 | 23.3 | -31.7 | 0 | 0 | 0 | 109.5 | C120 | P118-C120 VanDerWaalsContact C-N 3.29Å; P118-C120 PolarHBondContact O-N 3.15Å |
| 119 | H | 85.6 | Confident | 88.1 | Confident | 201 Ų | 201 | 63.6 Ų | 63.6 | 93% | 0.931 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 6.7 | -177.2 | -45.1 | -72.3 | 0 | 0 | 0 | 117.1 | A117 | A117-H119 PolarHBondContact O-N 3.37Š|
| 120 | C | 90.6 | Very high | 88.9 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 14% | 0.135 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -64.3 | 171.7 | -172.2 | 0 | 0 | 0 | 0 | 112 | C87 C90 C115 A117 P118 H122 | C87-C120 VanDerWaalsContact SG-SG 3.66Å; C90-C120 PolarHBondContact SG-SG 3.49Å; C115-C120 HydrophobicContact CB-CB 4.24Å; A117-C120 HydrophobicContact CB-CB 3.9Å; A117-C120 PolarHBondContact O-N 3.15Å; P118-C120 VanDerWaalsContact C-N 3.29Å; P118-C120 PolarHBondContact O-N 3.15Å; C120-H122 PolarHBondContact O-N 3.36Å; C120-H122 VanDerWaalsContact SG-CB 3.58Å |
| 121 | G | 88.8 | Confident | 89.3 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | trans | 53.2 | 24.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R123 | G121-R123 PolarHBondContact O-NE 2.85Å; G121-R123 PolarHBondContact O-NH2 3.44Å | ||
| 122 | H | 92.6 | Very high | 89.3 | Confident | 55 Ų | 55 | 52.8 Ų | 52.8 | 26% | 0.255 | 27% | 0.271 | S | S | . | . | trans | -72.2 | 138.1 | 179 | -172.3 | 57.2 | 0 | 0 | 0 | 109.6 | P88 K89 V114 C115 C120 W124 | P88-H122 WeakPolarHBondContact CG-NE2 3.35Å; K89-H122 HydrophobicContact CB-CB 4.03Å; K89-H122 HydrophobicContact CD-CB 4.03Å; V114-H122 WeakPolarHBondContact CA-O 3.38Å; C115-H122 HydrophobicContact CB-CB 4.39Å; C115-H122 PolarHBondContact N-O 3.26Å; C120-H122 PolarHBondContact O-N 3.36Å; C120-H122 VanDerWaalsContact SG-CB 3.58Å; H122-W124 AromaticContact CD2-CE3 3.59Å; H122-W124 WeakPolarHBondContact O-CZ3 3.49Å | ||
| 123 | R | 91.7 | Very high | 89.3 | Confident | 93 Ų | 93 | 56 Ų | 56 | 35% | 0.351 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.7 | -175.5 | -71.5 | 154.2 | -86.6 | -145.9 | -7.1 | 107.3 | L66 I69 Y113 V114 G121 | L66-R123 HydrophobicContact CD2-CB 4.16Å; I69-R123 HydrophobicContact CB-CG 4.47Å; I69-R123 HydrophobicContact CG2-CG 3.94Å; I69-R123 WeakPolarHBondContact O-CD 3.32Å; I69-R123 PolarHBondContact O-NH1 3.16Å; Y113-R123 VanDerWaalsContact O-CA 3.31Å; Y113-R123 WeakPolarHBondContact O-CA 3.48Å; V114-R123 HydrophobicContact CG1-CG 4.21Å; V114-R123 HydrophobicContact CG2-CG 3.92Å; G121-R123 PolarHBondContact O-NE 2.85Å; G121-R123 PolarHBondContact O-NH2 3.44Å |
| 124 | W | 90.7 | Very high | 89.1 | Confident | 24 Ų | 24 | 59.4 Ų | 59.4 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 167.9 | 177.3 | 71.4 | 100.1 | 0 | 0 | 0 | 110.3 | C87 P88 A95 Y113 C115 H122 | C87-W124 HydrophobicContact CB-CH2 4Å; C87-W124 HydrophobicContact CB-CZ3 4.2Å; P88-W124 HydrophobicContact CG-CD2 4.32Å; P88-W124 HydrophobicContact CG-CG 4.32Å; A95-W124 HydrophobicContact CB-CH2 3.63Å; A95-W124 HydrophobicContact CB-CZ2 3.99Å; Y113-W124 VanDerWaalsContact CB-CZ2 3.48Å; Y113-W124 AromaticContact CD2-NE1 3.75Å; Y113-W124 AromaticContact CG-CE2 3.93Å; Y113-W124 HydrophobicContact CG-CZ2 4.1Å; Y113-W124 AromaticContact CG-NE1 3.86Å; Y113-W124 PolarHBondContact N-O 2.8Å; Y113-W124 PolarHBondContact O-N 3.46Å; C115-W124 HydrophobicContact CB-CH2 4.38Å; C115-W124 HydrophobicContact CB-CZ3 3.93Å; H122-W124 AromaticContact CD2-CE3 3.59Å; H122-W124 WeakPolarHBondContact O-CZ3 3.49Å |
| 125 | T | 87.7 | Confident | 88.7 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 33% | 0.325 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 155.9 | 174.5 | -172 | 0 | 0 | 0 | 0 | 108 | L66 L111 | L66-T125 HydrophobicContact CD1-CG2 4.48Å; L111-T125 PolarHBondContact O-OG1 3.49Å |
| 126 | E | 72.9 | Confident | 88.1 | Confident | 164 Ų | 164 | 70 Ų | 70 | 77% | 0.766 | 36% | 0.362 | S | S | * | . | trans | -113.3 | 0 | 169.9 | -74.5 | -174.7 | 175.1 | 0 | 0 | 110.4 | H85 Y113 | H85-E126 IonicContact CE1-OE1 3.18Å; H85-E126 IonicContact CE1-OE2 2.7Å; H85-E126 PolarHBondContact CE1-OE2 3.26Å; H85-E126 IonicContact CG-OE1 3.04Å; H85-E126 IonicContact ND1-OE1 2.95Å; H85-E126 PolarHBondContact ND1-OE1 2.62Å; H85-E126 IonicContact ND1-OE2 2.76Å; H85-E126 PolarHBondContact ND1-OE2 3.33Å; Y113-E126 HydrophobicContact CE2-CB 4.24Å; Y113-E126 HydrophobicContact CE2-CG 4.17Å |
Retrieved 126 of 126 residues in 24.2 ms
(Link to these results)