| 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 | 41.8 | Very low | 44.8 | Very low | 232 Ų | 232 | 147.1 Ų | 147.1 | 100% | 1.143 | 80% | 0.798 | S | S | * | * | 0 | 96.8 | 0 | -83.9 | 179.5 | -82.1 | 0 | 0 | 107.8 | |||||
| 2 | I | 38.7 | Very low | 44.7 | Very low | 160 Ų | 160 | 146.1 Ų | 146.1 | 82% | 0.821 | 79% | 0.789 | S | S | * | * | trans | -112.8 | 100.8 | 178.4 | -66.7 | 169.6 | 0 | 0 | 0 | 104.7 | ||||
| 3 | F | 42.9 | Very low | 44.2 | Very low | 200 Ų | 200 | 145.7 Ų | 145.7 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -104.7 | 114.9 | 172.5 | -102.3 | -86.4 | 0 | 0 | 0 | 108 | ||||
| 4 | C | 43.8 | Very low | 43.9 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 71% | 0.709 | 78% | 0.775 | S | S | * | * | trans | -60.5 | 127.1 | -174.1 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | V6 | C4-V6 PolarHBondContact O-N 2.99Š| ||
| 5 | Y | 49.8 | Very low | 43.9 | Very low | 237 Ų | 237 | 141.3 Ų | 141.3 | 93% | 0.929 | 77% | 0.773 | S | S | * | * | trans | -61.3 | 98.3 | 158.1 | -91.9 | -99.7 | 0 | 0 | 0 | 109.1 | G7 | Y5-G7 PolarHBondContact O-N 3.36Š| ||
| 6 | V | 54.1 | Low | 43.7 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -87.8 | 94.8 | 163.6 | -174.1 | 0 | 0 | 0 | 0 | 106.4 | C4 L8 | C4-V6 PolarHBondContact O-N 2.99Å; V6-L8 PolarHBondContact O-N 3.31Å | ||
| 7 | G | 44.1 | Very low | 44.1 | Very low | 62 Ų | 62 | 138.9 Ų | 138.9 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | trans | -60 | 113.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y5 I9 | Y5-G7 PolarHBondContact O-N 3.36Å; G7-I9 VanDerWaalsContact C-N 3.33Å; G7-I9 PolarHBondContact O-N 2.89Å; G7-I9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | L | 40.8 | Very low | 44.8 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -78.7 | 81.9 | 172.1 | -155.1 | 109.8 | 0 | 0 | 0 | 108.4 | V6 A10 | V6-L8 PolarHBondContact O-N 3.31Å; L8-A10 VanDerWaalsContact C-N 3.33Å; L8-A10 PolarHBondContact O-N 3.36Å; L8-A10 VanDerWaalsContact O-N 3.13Å | ||
| 9 | I | 48.9 | Very low | 46 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | -79.1 | 90.6 | 166.6 | -59 | 178.8 | 0 | 0 | 0 | 106.8 | G7 V11 | G7-I9 VanDerWaalsContact C-N 3.33Å; G7-I9 PolarHBondContact O-N 2.89Å; G7-I9 VanDerWaalsContact O-N 3.08Å; I9-V11 VanDerWaalsContact C-N 3.33Å; I9-V11 HydrophobicContact CG2-CG2 3.83Å; I9-V11 PolarHBondContact O-N 2.5Å | ||
| 10 | A | 44.1 | Very low | 47.7 | Very low | 72 Ų | 72 | 129.4 Ų | 129.4 | 60% | 0.595 | 72% | 0.724 | S | S | * | * | trans | -69.8 | 94.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108 | L8 I12 | L8-A10 VanDerWaalsContact C-N 3.33Å; L8-A10 PolarHBondContact O-N 3.36Å; L8-A10 VanDerWaalsContact O-N 3.13Å; A10-I12 VanDerWaalsContact C-N 3.28Å; A10-I12 PolarHBondContact O-N 3.12Å | ||
| 11 | V | 43.8 | Very low | 49.3 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 64% | 0.642 | 71% | 0.708 | S | S | * | * | trans | -69.8 | 92.3 | 165.8 | -178.4 | 0 | 0 | 0 | 0 | 106.9 | I9 L13 | I9-V11 VanDerWaalsContact C-N 3.33Å; I9-V11 HydrophobicContact CG2-CG2 3.83Å; I9-V11 PolarHBondContact O-N 2.5Å; V11-L13 HydrophobicContact CG1-CD1 3.96Å; V11-L13 PolarHBondContact O-N 2.94Å | ||
| 12 | I | 43.4 | Very low | 51.2 | Low | 135 Ų | 135 | 119.1 Ų | 119.1 | 69% | 0.692 | 67% | 0.672 | S | S | * | * | trans | -71.1 | 92 | 165.3 | -55 | 177.3 | 0 | 0 | 0 | 105.7 | A10 T14 | A10-I12 VanDerWaalsContact C-N 3.28Å; A10-I12 PolarHBondContact O-N 3.12Å; I12-T14 HydrophobicContact CG2-CG2 3.74Å; I12-T14 PolarHBondContact O-N 3.48Å | ||
| 13 | L | 38.1 | Very low | 53.5 | Low | 141 Ų | 141 | 116.7 Ų | 116.7 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | trans | -65.9 | 81.1 | 159.5 | -106.2 | 121.5 | 0 | 0 | 0 | 106.8 | V11 T15 | V11-L13 HydrophobicContact CG1-CD1 3.96Å; V11-L13 PolarHBondContact O-N 2.94Å; L13-T15 PolarHBondContact O-N 3.31Å | ||
| 14 | T | 40.1 | Very low | 55.9 | Low | 105 Ų | 105 | 109.1 Ų | 109.1 | 64% | 0.644 | 64% | 0.638 | S | S | * | * | trans | -67.2 | 88.7 | 159.2 | 36.2 | 0 | 0 | 0 | 0 | 106.5 | I12 L16 | I12-T14 HydrophobicContact CG2-CG2 3.74Å; I12-T14 PolarHBondContact O-N 3.48Å; T14-L16 PolarHBondContact O-N 2.63Å | ||
| 15 | T | 43.5 | Very low | 58.2 | Low | 121 Ų | 121 | 104.8 Ų | 104.8 | 74% | 0.742 | 61% | 0.608 | S | S | * | * | trans | -59.4 | 92.7 | 150.8 | 45.5 | 0 | 0 | 0 | 0 | 105.5 | L13 A17 | L13-T15 PolarHBondContact O-N 3.31Å; T15-A17 PolarHBondContact O-N 2.62Å | ||
| 16 | L | 41.6 | Very low | 60.4 | Low | 153 Ų | 153 | 98.4 Ų | 98.4 | 80% | 0.801 | 59% | 0.585 | S | S | * | * | trans | -57.1 | 91.3 | 162.8 | -86.7 | 154 | 0 | 0 | 0 | 105.2 | T14 Q18 | T14-L16 PolarHBondContact O-N 2.63Å; L16-Q18 VanDerWaalsContact C-N 3.28Å; L16-Q18 PolarHBondContact O-N 2.62Å | ||
| 17 | A | 50.6 | Low | 62.3 | Low | 88 Ų | 88 | 94.8 Ų | 94.8 | 73% | 0.727 | 56% | 0.557 | S | S | * | * | trans | -57.2 | 105.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 104.1 | T15 A19 | T15-A17 PolarHBondContact O-N 2.62Å; A17-A19 VanDerWaalsContact C-N 3.33Å; A17-A19 PolarHBondContact O-N 2.86Å | ||
| 18 | Q | 55.8 | Low | 64.7 | Low | 128 Ų | 128 | 96 Ų | 96 | 60% | 0.598 | 54% | 0.544 | S | S | * | . | trans | -61.4 | 105.1 | 175.3 | -74.3 | -179.2 | -63.3 | 0 | 0 | 105.6 | L16 V20 | L16-Q18 VanDerWaalsContact C-N 3.28Å; L16-Q18 PolarHBondContact O-N 2.62Å; Q18-V20 PolarHBondContact O-N 2.87Å | ||
| 19 | A | 68.6 | Low | 67.1 | Low | 80 Ų | 80 | 88.2 Ų | 88.2 | 66% | 0.661 | 50% | 0.504 | S | S | * | . | trans | -64.4 | 121 | 175 | 0 | 0 | 0 | 0 | 0 | 106.6 | A17 T21 | A17-A19 VanDerWaalsContact C-N 3.33Å; A17-A19 PolarHBondContact O-N 2.86Å; A19-T21 PolarHBondContact O-N 3.45Å | ||
| 20 | V | 78.9 | Confident | 69 | Low | 18 Ų | 18 | 87.9 Ų | 87.9 | 11% | 0.109 | 49% | 0.493 | C | S | . | . | trans | -64.6 | 126.5 | 172.6 | -175 | 0 | 0 | 0 | 0 | 107.3 | Q18 D24 M40 I86 I99 F100 | Q18-V20 PolarHBondContact O-N 2.87Å; V20-D24 HydrophobicContact CG1-CB 4.25Å; V20-M40 HydrophobicContact CB-SD 4.4Å; V20-M40 HydrophobicContact CG1-SD 4.12Å; V20-M40 HydrophobicContact CG2-CE 4.5Å; V20-M40 HydrophobicContact CG2-SD 3.38Å; V20-M40 WeakPolarHBondContact CG2-SD 3.21Å; V20-I86 HydrophobicContact CB-CD1 4.42Å; V20-I86 HydrophobicContact CG1-CD1 3.72Å; V20-I86 HydrophobicContact CG2-CD1 4.44Å; V20-I99 HydrophobicContact CG2-CD1 3.99Å; V20-F100 HydrophobicContact CB-CB 4.2Å; V20-F100 HydrophobicContact CB-CD2 4.04Å; V20-F100 HydrophobicContact CB-CG 4.38Å; V20-F100 HydrophobicContact CG1-CD2 4.15Å; V20-F100 HydrophobicContact CG1-CG 4.41Å; V20-F100 WeakPolarHBondContact O-CD2 3.15Å | ||
| 21 | T | 82.4 | Confident | 71 | Confident | 62 Ų | 62 | 86.9 Ų | 86.9 | 38% | 0.38 | 47% | 0.474 | S | S | . | . | trans | -105.8 | 158.7 | 179.6 | 63.3 | 0 | 0 | 0 | 0 | 109.9 | A19 S23 D24 | A19-T21 PolarHBondContact O-N 3.45Å; T21-S23 PolarHBondContact O-N 3.16Å; T21-S23 PolarHBondContact OG1-OG 2.77Å; T21-D24 PolarHBondContact N-OD2 3.05Å; T21-D24 WeakPolarHBondContact O-CB 3.37Å; T21-D24 PolarHBondContact O-N 2.95Å; T21-D24 PolarHBondContact OG1-OD2 3.22Å | ||
| 22 | E | 82 | Confident | 73.3 | Confident | 84 Ų | 84 | 82.5 Ų | 82.5 | 39% | 0.393 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -59.9 | -30 | 176 | -179.9 | 171.1 | -149.7 | 0 | 0 | 112.8 | D24 I25 K102 Y104 | E22-D24 PolarHBondContact O-N 2.8Å; E22-I25 PolarHBondContact O-N 2.85Å; E22-K102 IonicContact OE1-NZ 2.72Å; E22-K102 PolarHBondContact OE1-NZ 2.93Å; E22-K102 IonicContact OE2-NZ 3.25Å; E22-K102 PolarHBondContact OE2-NZ 2.83Å; E22-Y104 WeakPolarHBondContact OE1-CE1 3.49Å |
| 23 | S | 87 | Confident | 75.6 | Confident | 109 Ų | 109 | 76.7 Ų | 76.7 | 76% | 0.762 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -62.4 | -20.2 | 174 | 36.5 | 0 | 0 | 0 | 0 | 113.9 | T21 | T21-S23 PolarHBondContact O-N 3.16Å; T21-S23 PolarHBondContact OG1-OG 2.77Å |
| 24 | D | 91.7 | Very high | 78.4 | Confident | 42 Ų | 42 | 70 Ų | 70 | 23% | 0.225 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -80.2 | -8.7 | 175.4 | -55.6 | -52.6 | 0 | 0 | 0 | 111.8 | V20 T21 E22 V38 N39 M40 | V20-D24 HydrophobicContact CG1-CB 4.25Å; T21-D24 PolarHBondContact N-OD2 3.05Å; T21-D24 WeakPolarHBondContact O-CB 3.37Å; T21-D24 PolarHBondContact O-N 2.95Å; T21-D24 PolarHBondContact OG1-OD2 3.22Å; E22-D24 PolarHBondContact O-N 2.8Å; D24-V38 CarbonylContact O-C 3.56Å; D24-V38 WeakPolarHBondContact O-CA 3.17Å; D24-N39 PolarHBondContact O-N 2.86Å; D24-M40 HydrophobicContact CB-CB 4.3Å |
| 25 | I | 93.3 | Very high | 81 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 7% | 0.072 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 111.2 | -172.4 | -55.2 | 169.1 | 0 | 0 | 0 | 109.8 | E22 R27 Y36 V38 F84 F100 | E22-I25 PolarHBondContact O-N 2.85Å; I25-R27 HydrophobicContact CG2-CG 4.22Å; I25-Y36 HydrophobicContact CG2-CD2 3.88Å; I25-V38 HydrophobicContact CG1-CG2 4.38Å; I25-F84 HydrophobicContact CD1-CD1 3.93Å; I25-F84 HydrophobicContact CD1-CE1 3.95Å; I25-F84 HydrophobicContact CG1-CE1 4.28Å; I25-F84 HydrophobicContact CG2-CD1 4.34Å; I25-F84 HydrophobicContact CG2-CE1 4.12Å; I25-F100 HydrophobicContact CD1-CD1 3.95Å; I25-F100 HydrophobicContact CD1-CE1 3.3Å; I25-F100 HydrophobicContact CD1-CE2 4.02Å; I25-F100 HydrophobicContact CD1-CZ 3.34Å |
| 26 | K | 94.8 | Very high | 83.6 | Confident | 103 Ų | 103 | 60 Ų | 60 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 123 | 172.5 | -170.2 | 178.2 | -166 | 171.7 | 0 | 109.8 | Y36 E37 | K26-Y36 WeakPolarHBondContact O-CA 3.46Å; K26-E37 HydrophobicContact CB-CB 4.41Å; K26-E37 PolarHBondContact N-O 2.62Å; K26-E37 PolarHBondContact O-N 2.85Å |
| 27 | R | 94.6 | Very high | 86.2 | Confident | 56 Ų | 56 | 55.7 Ų | 55.7 | 21% | 0.211 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 136.1 | 177.5 | -54.5 | 175.1 | -61.5 | 177.3 | -1 | 109.6 | I25 Y29 I35 Y36 Y104 E184 | I25-R27 HydrophobicContact CG2-CG 4.22Å; R27-Y29 HydrophobicContact CB-CE2 4.22Å; R27-I35 CarbonylContact C-O 3.57Å; R27-I35 WeakPolarHBondContact CA-O 3.28Å; R27-Y36 HydrophobicContact CB-CE1 4.33Å; R27-Y36 WeakPolarHBondContact CD-OH 3.23Å; R27-Y36 HydrophobicContact CG-CD1 4.44Å; R27-Y36 HydrophobicContact CG-CD2 3.88Å; R27-Y36 HydrophobicContact CG-CE1 4.14Å; R27-Y36 HydrophobicContact CG-CE2 3.56Å; R27-Y36 HydrophobicContact CG-CG 4.3Å; R27-Y104 VanDerWaalsContact NH1-CE1 3.28Å; R27-E184 IonicContact CZ-OE1 3.01Å; R27-E184 IonicContact CZ-OE2 2.75Å; R27-E184 IonicContact NE-OE1 2.97Å; R27-E184 PolarHBondContact NE-OE1 3.48Å; R27-E184 IonicContact NE-OE2 2.8Å; R27-E184 IonicContact NH2-OE1 3.25Å; R27-E184 PolarHBondContact NH2-OE1 2.81Å; R27-E184 IonicContact NH2-OE2 2.6Å |
| 28 | K | 93.7 | Very high | 88.3 | Confident | 86 Ų | 86 | 51.6 Ų | 51.6 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146.3 | 171.8 | -69.2 | -176.1 | -179.4 | 177.6 | 0 | 109.3 | I35 E184 | K28-I35 HydrophobicContact CB-CB 4.34Å; K28-I35 PolarHBondContact N-O 3.38Å; K28-I35 PolarHBondContact O-N 2.93Å; K28-E184 WeakPolarHBondContact CA-O 3.41Å |
| 29 | Y | 91.5 | Very high | 90.1 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135.7 | 176.2 | -57.9 | -85.8 | 0 | 0 | 0 | 109.6 | R27 C33 A34 Y36 L82 K106 L108 E184 I186 | R27-Y29 HydrophobicContact CB-CE2 4.22Å; Y29-C33 WeakPolarHBondContact CA-O 3.37Å; Y29-A34 HydrophobicContact CD1-CB 3.83Å; Y29-A34 HydrophobicContact CE1-CB 3.75Å; Y29-Y36 HydrophobicContact CE1-CE1 4.37Å; Y29-Y36 PolarHBondContact OH-OH 2.78Å; Y29-L82 HydrophobicContact CE1-CD1 3.81Å; Y29-K106 HydrophobicContact CD1-CG 4.34Å; Y29-K106 HydrophobicContact CD2-CD 4.32Å; Y29-K106 VanDerWaalsContact CD2-CE 3.43Å; Y29-K106 HydrophobicContact CE1-CB 4.49Å; Y29-K106 HydrophobicContact CE1-CD 4.45Å; Y29-K106 HydrophobicContact CE1-CG 3.86Å; Y29-K106 HydrophobicContact CE2-CD 3.8Å; Y29-K106 HydrophobicContact CE2-CG 4.11Å; Y29-L108 HydrophobicContact CD1-CD2 3.29Å; Y29-L108 HydrophobicContact CE1-CD2 3.98Å; Y29-L108 HydrophobicContact CG-CD2 3.77Å; Y29-E184 HydrophobicContact CD2-CB 3.75Å; Y29-E184 HydrophobicContact CE2-CB 3.97Å; Y29-E184 WeakPolarHBondContact CE2-OE2 3.38Å; Y29-E184 PolarHBondContact N-O 2.87Å; Y29-I186 PolarHBondContact O-N 2.68Å |
| 30 | R | 88.9 | Confident | 91.1 | Very high | 139 Ų | 139 | 47.7 Ų | 47.7 | 53% | 0.525 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 106 | -179.4 | 179.4 | -172.6 | -69 | 174.3 | -3.2 | 108.1 | D32 C33 V187 | R30-D32 PolarHBondContact O-N 2.79Å; R30-D32 VanDerWaalsContact O-N 3.16Å; R30-C33 PolarHBondContact N-O 2.86Å; R30-C33 WeakPolarHBondContact O-CB 3.43Å; R30-C33 PolarHBondContact O-N 2.96Å; R30-V187 HydrophobicContact CG-CG2 3.98Å |
| 31 | Y | 87.3 | Confident | 91.5 | Very high | 51 Ų | 51 | 54.7 Ų | 54.7 | 20% | 0.2 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -115.7 | -175.1 | -51.1 | -64 | 0 | 0 | 0 | 111.4 | L108 K112 V187 Y188 | Y31-L108 WeakPolarHBondContact O-CD1 3.31Å; Y31-K112 HydrophobicContact CD1-CB 3.57Å; Y31-K112 HydrophobicContact CD1-CD 3.79Å; Y31-K112 HydrophobicContact CD1-CG 3.75Å; Y31-K112 HydrophobicContact CD2-CD 3.89Å; Y31-K112 HydrophobicContact CE1-CB 4.2Å; Y31-K112 HydrophobicContact CE1-CD 4.25Å; Y31-K112 HydrophobicContact CE1-CG 4.01Å; Y31-K112 HydrophobicContact CE2-CD 4.36Å; Y31-K112 HydrophobicContact CG-CB 4.06Å; Y31-K112 HydrophobicContact CG-CD 3.59Å; Y31-K112 HydrophobicContact CG-CG 4.1Å; Y31-V187 HydrophobicContact CD1-CB 4.31Å; Y31-V187 HydrophobicContact CD1-CG1 3.8Å; Y31-V187 HydrophobicContact CD1-CG2 3.54Å; Y31-V187 HydrophobicContact CD2-CG2 3.94Å; Y31-V187 HydrophobicContact CE1-CB 4.07Å; Y31-V187 HydrophobicContact CE1-CG1 3.55Å; Y31-V187 HydrophobicContact CE1-CG2 3.3Å; Y31-V187 HydrophobicContact CE2-CG2 3.71Å; Y31-V187 HydrophobicContact CG-CG2 3.86Å; Y31-Y188 WeakPolarHBondContact CE1-O 3.48Å; Y31-Y188 VanDerWaalsContact CZ-O 3.24Å; Y31-Y188 PolarHBondContact OH-O 3.22Å |
| 32 | D | 90.6 | Very high | 91.6 | Very high | 14 Ų | 14 | 55.9 Ų | 55.9 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 10.7 | 179 | 57.1 | -20.6 | 0 | 0 | 0 | 113.4 | R30 C72 D73 I74 M76 Q132 | R30-D32 PolarHBondContact O-N 2.79Å; R30-D32 VanDerWaalsContact O-N 3.16Å; D32-C72 CarbonylContact O-C 3.59Å; D32-C72 WeakPolarHBondContact O-CA 3.3Å; D32-D73 PolarHBondContact O-N 3.2Å; D32-I74 WeakPolarHBondContact CB-O 3.43Å; D32-I74 WeakPolarHBondContact O-CB 3.48Å; D32-I74 PolarHBondContact O-N 2.87Å; D32-M76 HydrophobicContact CB-CE 4.4Å; D32-M76 HydrophobicContact CB-CG 4.23Å; D32-M76 HydrophobicContact CB-SD 4.25Å; D32-Q132 PolarHBondContact OD2-NE2 3.38Å |
| 33 | C | 93.5 | Very high | 91.9 | Very high | 14 Ų | 14 | 55 Ų | 55 | 10% | 0.095 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 136.7 | 179.4 | -54.3 | 0 | 0 | 0 | 0 | 112.7 | Y29 R30 L71 C72 | Y29-C33 WeakPolarHBondContact CA-O 3.37Å; R30-C33 PolarHBondContact N-O 2.86Å; R30-C33 WeakPolarHBondContact O-CB 3.43Å; R30-C33 PolarHBondContact O-N 2.96Å; C33-L71 CarbonylContact C-O 3.59Å; C33-L71 VanDerWaalsContact CA-O 3.24Å; C33-L71 WeakPolarHBondContact CA-O 3.12Å; C33-C72 HydrophobicContact CB-CB 4.13Å; C33-C72 WeakPolarHBondContact CB-SG 2.96Å; C33-C72 WeakPolarHBondContact SG-CB 3.4Å; C33-C72 CovalentContact SG-SG 2.05Å; C33-C72 PolarHBondContact SG-SG 3.32Å |
| 34 | A | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y29 Y36 L52 E70 L71 I74 L82 | Y29-A34 HydrophobicContact CD1-CB 3.83Å; Y29-A34 HydrophobicContact CE1-CB 3.75Å; A34-Y36 HydrophobicContact CB-CD1 4.47Å; A34-Y36 HydrophobicContact CB-CE1 4.14Å; A34-L52 HydrophobicContact CB-CD2 4.04Å; A34-E70 WeakPolarHBondContact O-CA 3.34Å; A34-L71 PolarHBondContact N-O 2.93Å; A34-L71 PolarHBondContact O-N 3.33Å; A34-I74 HydrophobicContact CB-CD1 3.56Å; A34-L82 HydrophobicContact CB-CD1 3.69Å |
| 35 | I | 96.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 8% | 0.077 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 118.8 | -176.8 | -56.6 | 168 | 0 | 0 | 0 | 108.6 | R27 K28 K68 V69 E70 | R27-I35 CarbonylContact C-O 3.57Å; R27-I35 WeakPolarHBondContact CA-O 3.28Å; K28-I35 HydrophobicContact CB-CB 4.34Å; K28-I35 PolarHBondContact N-O 3.38Å; K28-I35 PolarHBondContact O-N 2.93Å; I35-K68 HydrophobicContact CG2-CD 4.37Å; I35-K68 HydrophobicContact CG2-CG 4.16Å; I35-V69 CarbonylContact C-O 3.56Å; I35-V69 WeakPolarHBondContact CA-O 3.34Å; I35-E70 HydrophobicContact CG1-CB 4.32Å; I35-E70 HydrophobicContact CG1-CG 3.89Å |
| 36 | Y | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126.3 | -178.9 | -79.3 | 55.4 | 0 | 0 | 0 | 108.5 | I25 K26 R27 Y29 A34 L52 K68 V69 L82 F84 Y104 | I25-Y36 HydrophobicContact CG2-CD2 3.88Å; K26-Y36 WeakPolarHBondContact O-CA 3.46Å; R27-Y36 HydrophobicContact CB-CE1 4.33Å; R27-Y36 WeakPolarHBondContact CD-OH 3.23Å; R27-Y36 HydrophobicContact CG-CD1 4.44Å; R27-Y36 HydrophobicContact CG-CD2 3.88Å; R27-Y36 HydrophobicContact CG-CE1 4.14Å; R27-Y36 HydrophobicContact CG-CE2 3.56Å; R27-Y36 HydrophobicContact CG-CG 4.3Å; Y29-Y36 HydrophobicContact CE1-CE1 4.37Å; Y29-Y36 PolarHBondContact OH-OH 2.78Å; A34-Y36 HydrophobicContact CB-CD1 4.47Å; A34-Y36 HydrophobicContact CB-CE1 4.14Å; Y36-L52 HydrophobicContact CD1-CD1 4.05Å; Y36-L52 HydrophobicContact CD1-CD2 3.62Å; Y36-L52 HydrophobicContact CD2-CD1 4.34Å; Y36-L52 HydrophobicContact CE1-CD1 4.02Å; Y36-L52 HydrophobicContact CE1-CD2 4.07Å; Y36-L52 HydrophobicContact CE2-CD1 4.27Å; Y36-L52 HydrophobicContact CG-CD1 4.25Å; Y36-L52 HydrophobicContact CG-CD2 4.19Å; Y36-K68 CarbonylContact O-C 3.54Å; Y36-K68 VanDerWaalsContact O-CA 3.29Å; Y36-K68 WeakPolarHBondContact O-CA 3.41Å; Y36-V69 PolarHBondContact N-O 2.82Å; Y36-V69 PolarHBondContact O-N 2.81Å; Y36-L82 HydrophobicContact CE1-CD1 4.3Å; Y36-F84 HydrophobicContact CD2-CB 4.06Å; Y36-F84 HydrophobicContact CD2-CD1 4.02Å; Y36-F84 AromaticContact CD2-CD2 3.84Å; Y36-F84 HydrophobicContact CD2-CD2 3.84Å; Y36-F84 HydrophobicContact CD2-CE1 4.41Å; Y36-F84 HydrophobicContact CD2-CE2 4.27Å; Y36-F84 AromaticContact CD2-CG 3.7Å; Y36-F84 HydrophobicContact CD2-CG 3.7Å; Y36-F84 HydrophobicContact CE2-CB 4.07Å; Y36-F84 HydrophobicContact CE2-CG 4.23Å; Y36-F84 HydrophobicContact CG-CD2 4.22Å; Y36-F84 HydrophobicContact CG-CE2 4.39Å; Y36-Y104 AromaticContact CE2-CD2 3.63Å; Y36-Y104 HydrophobicContact CE2-CD2 3.63Å; Y36-Y104 AromaticContact CE2-CE2 3.59Å; Y36-Y104 HydrophobicContact CE2-CE2 3.59Å; Y36-Y104 HydrophobicContact CE2-CG 4.43Å; Y36-Y104 WeakPolarHBondContact OH-CD2 3.45Å |
| 37 | E | 97 | Very high | 92 | Very high | 63 Ų | 63 | 59.5 Ų | 59.5 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123.9 | -178.2 | -178.8 | 178.3 | -163.5 | 0 | 0 | 109.6 | K26 N67 | K26-E37 HydrophobicContact CB-CB 4.41Å; K26-E37 PolarHBondContact N-O 2.62Å; K26-E37 PolarHBondContact O-N 2.85Å; E37-N67 CarbonylContact C-O 3.57Å; E37-N67 WeakPolarHBondContact CA-O 3.5Å |
| 38 | V | 95.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.9 | -174.8 | -174 | 0 | 0 | 0 | 0 | 110.5 | D24 I25 M40 Y50 N67 F84 I86 | D24-V38 CarbonylContact O-C 3.56Å; D24-V38 WeakPolarHBondContact O-CA 3.17Å; I25-V38 HydrophobicContact CG1-CG2 4.38Å; V38-M40 HydrophobicContact CG1-CB 3.98Å; V38-M40 HydrophobicContact CG1-CG 3.77Å; V38-M40 HydrophobicContact CG1-SD 3.67Å; V38-Y50 HydrophobicContact CB-CD1 4.35Å; V38-Y50 HydrophobicContact CB-CE1 3.76Å; V38-Y50 HydrophobicContact CG1-CE1 4.08Å; V38-Y50 HydrophobicContact CG2-CD1 3.73Å; V38-Y50 HydrophobicContact CG2-CE1 3.63Å; V38-N67 HydrophobicContact CB-CB 4.48Å; V38-N67 PolarHBondContact N-O 2.67Å; V38-N67 WeakPolarHBondContact O-CB 3.46Å; V38-N67 PolarHBondContact O-ND2 2.95Å; V38-F84 HydrophobicContact CG2-CE1 3.65Å; V38-F84 HydrophobicContact CG2-CZ 3.54Å; V38-I86 HydrophobicContact CG1-CD1 4.05Å; V38-I86 HydrophobicContact CG2-CD1 4.04Å |
| 39 | N | 93.2 | Very high | 92.2 | Very high | 96 Ų | 96 | 57 Ų | 57 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | trans | -111.6 | 57.2 | 178.8 | -66 | -48.5 | 0 | 0 | 0 | 110.6 | D24 | D24-N39 PolarHBondContact O-N 2.86Š| ||
| 40 | M | 89.1 | Confident | 92.5 | Very high | 29 Ų | 29 | 56.9 Ų | 56.9 | 14% | 0.143 | 27% | 0.269 | C | S | . | . | trans | -102.5 | 153.4 | 176.2 | 76.4 | -168.1 | -163.7 | 0 | 0 | 110.9 | V20 D24 V38 Q42 Y48 Y50 I86 I99 | V20-M40 HydrophobicContact CB-SD 4.4Å; V20-M40 HydrophobicContact CG1-SD 4.12Å; V20-M40 HydrophobicContact CG2-CE 4.5Å; V20-M40 HydrophobicContact CG2-SD 3.38Å; V20-M40 WeakPolarHBondContact CG2-SD 3.21Å; D24-M40 HydrophobicContact CB-CB 4.3Å; V38-M40 HydrophobicContact CG1-CB 3.98Å; V38-M40 HydrophobicContact CG1-CG 3.77Å; V38-M40 HydrophobicContact CG1-SD 3.67Å; M40-Q42 HydrophobicContact CE-CG 4.07Å; M40-Q42 HydrophobicContact CG-CG 4.35Å; M40-Q42 PolarHBondContact O-N 3.27Å; M40-Y48 HydrophobicContact CE-CD1 3.25Å; M40-Y48 HydrophobicContact CE-CE1 3.28Å; M40-Y48 HydrophobicContact CE-CG 3.99Å; M40-Y50 HydrophobicContact CE-CE1 4.47Å; M40-Y50 WeakPolarHBondContact CE-OH 3.42Å; M40-I86 HydrophobicContact CE-CG2 4.1Å; M40-I86 HydrophobicContact SD-CD1 4.38Å; M40-I86 HydrophobicContact SD-CG2 4.5Å; M40-I99 HydrophobicContact CE-CD1 4.28Å | ||
| 41 | K | 86.3 | Confident | 92.9 | Very high | 165 Ų | 165 | 50.8 Ų | 50.8 | 72% | 0.717 | 25% | 0.246 | S | C | * | . | trans | -70.6 | 114.3 | 170.1 | -174.7 | 178.5 | -178.5 | -177.5 | 0 | 109.3 | ||||
| 42 | Q | 86.5 | Confident | 93.4 | Very high | 88 Ų | 88 | 48.4 Ų | 48.4 | 41% | 0.411 | 24% | 0.236 | S | C | . | . | trans | -87.9 | 142.8 | 176.8 | -71.8 | -178.3 | -5.4 | 0 | 0 | 111.4 | M40 Y48 Y50 | M40-Q42 HydrophobicContact CE-CG 4.07Å; M40-Q42 HydrophobicContact CG-CG 4.35Å; M40-Q42 PolarHBondContact O-N 3.27Å; Q42-Y48 HydrophobicContact CB-CD2 4.03Å; Q42-Y48 HydrophobicContact CB-CE2 3.51Å; Q42-Y48 HydrophobicContact CG-CD2 3.71Å; Q42-Y48 HydrophobicContact CG-CE2 3.63Å; Q42-Y48 HydrophobicContact CG-CG 4.29Å; Q42-Y50 PolarHBondContact NE2-OH 2.81Å | ||
| 43 | N | 87.8 | Confident | 93.7 | Very high | 66 Ų | 66 | 49.6 Ų | 49.6 | 35% | 0.353 | 24% | 0.242 | S | C | . | . | trans | -81.4 | 126.1 | 171.6 | -175.8 | -31.9 | 0 | 0 | 0 | 109.4 | D45 R46 Y48 | N43-D45 PolarHBondContact O-N 3.05Å; N43-D45 VanDerWaalsContact O-N 3.16Å; N43-D45 PolarHBondContact OD1-N 2.85Å; N43-R46 HydrophobicContact CB-CB 4.27Å; N43-R46 HydrophobicContact CB-CG 4Å; N43-R46 PolarHBondContact O-N 2.75Å; N43-Y48 PolarHBondContact N-OH 2.86Å | ||
| 44 | P | 89.6 | Confident | 93.9 | Very high | 98 Ų | 98 | 49.5 Ų | 49.5 | 64% | 0.636 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.8 | -178.5 | 26.3 | -36.3 | 0 | 0 | 0 | 114.5 | R46 K91 | P44-R46 VanDerWaalsContact C-N 3.27Å; P44-K91 WeakPolarHBondContact O-CE 3.36Å; P44-K91 PolarHBondContact O-NZ 2.91Å |
| 45 | D | 91.9 | Very high | 93.9 | Very high | 111 Ų | 111 | 52.1 Ų | 52.1 | 59% | 0.594 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 2.9 | 178.1 | -59.5 | -35.5 | 0 | 0 | 0 | 112.9 | N43 K91 | N43-D45 PolarHBondContact O-N 3.05Å; N43-D45 VanDerWaalsContact O-N 3.16Å; N43-D45 PolarHBondContact OD1-N 2.85Å; D45-K91 PolarHBondContact O-N 3Å |
| 46 | R | 93.1 | Very high | 93.6 | Very high | 76 Ų | 76 | 54 Ų | 54 | 29% | 0.287 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 152.2 | -178.6 | -63.2 | -170.5 | -179.9 | -123.3 | 15.9 | 112.1 | N43 P44 Y48 E88 K89 | N43-R46 HydrophobicContact CB-CB 4.27Å; N43-R46 HydrophobicContact CB-CG 4Å; N43-R46 PolarHBondContact O-N 2.75Å; P44-R46 VanDerWaalsContact C-N 3.27Å; R46-Y48 HydrophobicContact CB-CE2 3.85Å; R46-E88 VanDerWaalsContact CD-OE2 3.26Å; R46-E88 WeakPolarHBondContact CD-OE2 3.31Å; R46-E88 IonicContact CZ-OE1 2.96Å; R46-E88 VanDerWaalsContact CZ-OE1 3.25Å; R46-E88 IonicContact CZ-OE2 2.64Å; R46-E88 IonicContact NE-OE1 2.84Å; R46-E88 IonicContact NE-OE2 2.68Å; R46-E88 IonicContact NH1-OE1 2.67Å; R46-E88 PolarHBondContact NH1-OE1 2.97Å; R46-E88 IonicContact NH1-OE2 3.92Å; R46-E88 IonicContact NH2-OE1 3.84Å; R46-K89 CarbonylContact C-O 3.58Å; R46-K89 WeakPolarHBondContact CA-O 3.43Å; R46-K89 WeakPolarHBondContact CB-O 3.41Å |
| 47 | E | 94.6 | Very high | 92.5 | Very high | 76 Ų | 76 | 60.7 Ų | 60.7 | 36% | 0.355 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 140 | 168.2 | -66.8 | 179.1 | 177.2 | 0 | 0 | 108.8 | E88 K89 K91 | E47-E88 CarbonylContact O-C 3.52Å; E47-E88 VanDerWaalsContact O-CA 3.27Å; E47-E88 WeakPolarHBondContact O-CA 3.32Å; E47-K89 HydrophobicContact CB-CG 4.12Å; E47-K89 PolarHBondContact N-O 2.84Å; E47-K89 PolarHBondContact O-N 2.87Å; E47-K89 WeakPolarHBondContact OE2-CE 3.03Å; E47-K89 IonicContact OE2-NZ 3.86Å; E47-K89 PolarHBondContact OE2-NZ 2.87Å; E47-K91 HydrophobicContact CG-CG 4.01Å |
| 48 | Y | 95.4 | Very high | 91.7 | Very high | 19 Ų | 19 | 64.8 Ų | 64.8 | 8% | 0.075 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 148 | -178.6 | -65.1 | -85.4 | 0 | 0 | 0 | 110.7 | M40 Q42 N43 R46 Y87 E88 I99 | M40-Y48 HydrophobicContact CE-CD1 3.25Å; M40-Y48 HydrophobicContact CE-CE1 3.28Å; M40-Y48 HydrophobicContact CE-CG 3.99Å; Q42-Y48 HydrophobicContact CB-CD2 4.03Å; Q42-Y48 HydrophobicContact CB-CE2 3.51Å; Q42-Y48 HydrophobicContact CG-CD2 3.71Å; Q42-Y48 HydrophobicContact CG-CE2 3.63Å; Q42-Y48 HydrophobicContact CG-CG 4.29Å; N43-Y48 PolarHBondContact N-OH 2.86Å; R46-Y48 HydrophobicContact CB-CE2 3.85Å; Y48-Y87 WeakPolarHBondContact CA-O 3.44Å; Y48-E88 HydrophobicContact CD1-CB 3.76Å; Y48-E88 HydrophobicContact CE1-CB 3.6Å; Y48-I99 HydrophobicContact CD1-CD1 4.36Å; Y48-I99 HydrophobicContact CE1-CD1 4.08Å |
| 49 | R | 96.3 | Very high | 91 | Very high | 72 Ų | 72 | 68.4 Ų | 68.4 | 27% | 0.272 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136.6 | 173.2 | -178.2 | -177.9 | 73.1 | -172.9 | -0.1 | 108.9 | V63 E64 Y87 Y96 | R49-V63 HydrophobicContact CG-CG1 3.6Å; R49-E64 CarbonylContact C-O 3.53Å; R49-E64 WeakPolarHBondContact CA-O 3.38Å; R49-Y87 PolarHBondContact N-O 2.77Å; R49-Y87 PolarHBondContact O-N 2.87Å; R49-Y96 HydrophobicContact CB-CD1 4.09Å; R49-Y96 HydrophobicContact CB-CE1 3.7Å |
| 50 | Y | 97.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133.8 | -175.7 | -57 | -89.3 | 0 | 0 | 0 | 108.5 | V38 M40 Q42 V63 E64 S66 N67 V69 F84 I86 | V38-Y50 HydrophobicContact CB-CD1 4.35Å; V38-Y50 HydrophobicContact CB-CE1 3.76Å; V38-Y50 HydrophobicContact CG1-CE1 4.08Å; V38-Y50 HydrophobicContact CG2-CD1 3.73Å; V38-Y50 HydrophobicContact CG2-CE1 3.63Å; M40-Y50 HydrophobicContact CE-CE1 4.47Å; M40-Y50 WeakPolarHBondContact CE-OH 3.42Å; Q42-Y50 PolarHBondContact NE2-OH 2.81Å; Y50-V63 CarbonylContact O-C 3.49Å; Y50-V63 WeakPolarHBondContact O-CA 3.25Å; Y50-E64 PolarHBondContact N-O 2.59Å; Y50-E64 PolarHBondContact O-N 2.92Å; Y50-S66 WeakPolarHBondContact CD2-O 3.36Å; Y50-N67 HydrophobicContact CE2-CB 4.23Å; Y50-V69 HydrophobicContact CG-CG2 4.38Å; Y50-F84 HydrophobicContact CD1-CZ 4.07Å; Y50-I86 HydrophobicContact CD1-CB 4.4Å; Y50-I86 HydrophobicContact CD1-CD1 4.41Å; Y50-I86 HydrophobicContact CD1-CG1 3.92Å; Y50-I86 HydrophobicContact CD1-CG2 3.92Å; Y50-I86 HydrophobicContact CE1-CB 4.5Å; Y50-I86 HydrophobicContact CE1-CD1 4.25Å; Y50-I86 HydrophobicContact CE1-CG1 4.16Å; Y50-I86 HydrophobicContact CE1-CG2 3.64Å |
| 51 | E | 97.6 | Very high | 91.4 | Very high | 11 Ų | 11 | 69.5 Ų | 69.5 | 5% | 0.051 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 128.6 | -175.1 | 174.2 | 173.8 | 154 | 0 | 0 | 109.5 | K61 A62 V63 F84 D85 Y87 | E51-K61 HydrophobicContact CG-CD 4.25Å; E51-K61 HydrophobicContact CG-CG 4.28Å; E51-K61 WeakPolarHBondContact OE1-CE 3.44Å; E51-K61 IonicContact OE1-NZ 3.13Å; E51-K61 PolarHBondContact OE1-NZ 3.2Å; E51-K61 VanDerWaalsContact OE2-CE 3.25Å; E51-K61 WeakPolarHBondContact OE2-CE 3.35Å; E51-K61 IonicContact OE2-NZ 2.76Å; E51-K61 PolarHBondContact OE2-NZ 3.33Å; E51-A62 WeakPolarHBondContact CA-O 3.2Å; E51-V63 HydrophobicContact CB-CG2 4.48Å; E51-V63 HydrophobicContact CG-CG2 4.25Å; E51-F84 CarbonylContact O-C 3.58Å; E51-F84 VanDerWaalsContact O-CA 3.32Å; E51-F84 WeakPolarHBondContact O-CA 3.35Å; E51-F84 WeakPolarHBondContact O-CD2 3.42Å; E51-D85 HydrophobicContact CB-CB 4.23Å; E51-D85 PolarHBondContact N-O 2.9Å; E51-D85 PolarHBondContact O-N 3.5Å; E51-Y87 HydrophobicContact CB-CE2 4.01Å |
| 52 | L | 98.1 | Very high | 92 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 123.3 | 173.6 | -175.3 | 61.8 | 0 | 0 | 0 | 108.4 | A34 Y36 K61 A62 V69 L71 L82 K83 F84 | A34-L52 HydrophobicContact CB-CD2 4.04Å; Y36-L52 HydrophobicContact CD1-CD1 4.05Å; Y36-L52 HydrophobicContact CD1-CD2 3.62Å; Y36-L52 HydrophobicContact CD2-CD1 4.34Å; Y36-L52 HydrophobicContact CE1-CD1 4.02Å; Y36-L52 HydrophobicContact CE1-CD2 4.07Å; Y36-L52 HydrophobicContact CE2-CD1 4.27Å; Y36-L52 HydrophobicContact CG-CD1 4.25Å; Y36-L52 HydrophobicContact CG-CD2 4.19Å; L52-K61 CarbonylContact O-C 3.58Å; L52-K61 WeakPolarHBondContact O-CA 3.33Å; L52-A62 PolarHBondContact N-O 3.15Å; L52-A62 PolarHBondContact O-N 2.87Å; L52-V69 HydrophobicContact CB-CB 4.28Å; L52-V69 HydrophobicContact CB-CG1 3.58Å; L52-L71 HydrophobicContact CD2-CB 3.7Å; L52-L71 HydrophobicContact CG-CB 4.1Å; L52-L71 HydrophobicContact CG-CD2 4.13Å; L52-L82 HydrophobicContact CD1-CB 4.11Å; L52-L82 HydrophobicContact CD1-CD2 4.38Å; L52-K83 WeakPolarHBondContact CA-O 3.29Å; L52-F84 HydrophobicContact CB-CD2 4.16Å; L52-F84 HydrophobicContact CD1-CB 4.19Å; L52-F84 HydrophobicContact CD1-CD2 4.05Å |
| 53 | E | 97.5 | Very high | 92.5 | Very high | 40 Ų | 40 | 61.4 Ų | 61.4 | 19% | 0.187 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.8 | -177.5 | -176 | -174.9 | -172.9 | 0 | 0 | 110.5 | L55 L60 K61 L82 K83 | E53-L55 HydrophobicContact CG-CD2 4.03Å; E53-L60 CarbonylContact C-O 3.56Å; E53-L60 WeakPolarHBondContact CA-O 3.45Å; E53-K61 HydrophobicContact CG-CB 4.41Å; E53-L82 CarbonylContact O-C 3.54Å; E53-L82 VanDerWaalsContact O-CA 3.31Å; E53-L82 WeakPolarHBondContact O-CA 3.48Å; E53-K83 HydrophobicContact CB-CB 4.41Å; E53-K83 PolarHBondContact N-O 3.4Å; E53-K83 PolarHBondContact O-N 3.02Å |
| 54 | L | 97.1 | Very high | 93 | Very high | 11 Ų | 11 | 62.3 Ų | 62.3 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 115.6 | 164.5 | 176.5 | 66.1 | 0 | 0 | 0 | 109.2 | S59 L60 L71 I74 I80 L82 | L54-S59 WeakPolarHBondContact O-CA 3.42Å; L54-L60 HydrophobicContact CB-CB 4.16Å; L54-L60 HydrophobicContact CD2-CD1 4.07Å; L54-L60 HydrophobicContact CD2-CG 4.47Å; L54-L60 PolarHBondContact N-O 2.88Å; L54-L71 HydrophobicContact CB-CD2 4.11Å; L54-I74 HydrophobicContact CD1-CG2 4.15Å; L54-I74 HydrophobicContact CD2-CG1 4.5Å; L54-I74 HydrophobicContact CD2-CG2 4.22Å; L54-I80 HydrophobicContact CD1-CB 3.76Å; L54-I80 HydrophobicContact CD1-CD1 4.42Å; L54-I80 HydrophobicContact CD1-CG2 4.01Å; L54-L82 HydrophobicContact CB-CD2 4.16Å; L54-L82 HydrophobicContact CD1-CD2 4.15Å |
| 55 | L | 95.2 | Very high | 93.2 | Very high | 56 Ų | 56 | 62.9 Ų | 62.9 | 29% | 0.293 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 133.7 | 176.7 | -55 | -175.3 | 0 | 0 | 0 | 110.5 | E53 V81 K83 Q103 | E53-L55 HydrophobicContact CG-CD2 4.03Å; L55-V81 HydrophobicContact CB-CB 4.31Å; L55-V81 HydrophobicContact CD1-CB 4.5Å; L55-V81 HydrophobicContact CD1-CG1 3.93Å; L55-V81 HydrophobicContact CG-CG1 4.48Å; L55-V81 PolarHBondContact N-O 3.06Å; L55-K83 HydrophobicContact CD1-CB 4.17Å; L55-K83 HydrophobicContact CD2-CB 4.03Å; L55-K83 HydrophobicContact CD2-CD 4.39Å; L55-K83 HydrophobicContact CG-CB 4.1Å; L55-Q103 HydrophobicContact CD1-CG 4.29Å |
| 56 | G | 88.7 | Confident | 93.3 | Very high | 55 Ų | 55 | 60.4 Ų | 60.4 | 57% | 0.567 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 149.3 | -158.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K58 | G56-K58 VanDerWaalsContact C-N 3.3Å; G56-K58 PolarHBondContact O-N 2.74Å |
| 57 | S | 73.7 | Confident | 93.3 | Very high | 139 Ų | 139 | 59.2 Ų | 59.2 | 97% | 0.972 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -71.2 | -21.1 | -175 | 56.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 58 | K | 80.5 | Confident | 93.5 | Very high | 150 Ų | 150 | 60 Ų | 60 | 65% | 0.652 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -127.1 | 76.5 | 175.6 | -169.7 | -176.7 | -179.2 | -169.7 | 0 | 107.8 | G56 L60 | G56-K58 VanDerWaalsContact C-N 3.3Å; G56-K58 PolarHBondContact O-N 2.74Å; K58-L60 PolarHBondContact O-N 2.7Å; K58-L60 VanDerWaalsContact O-N 3.13Å |
| 59 | S | 81.8 | Confident | 93.6 | Very high | 78 Ų | 78 | 59 Ų | 59 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | trans | -56.3 | 118.9 | 178.3 | -64.3 | 0 | 0 | 0 | 0 | 110 | L54 | L54-S59 WeakPolarHBondContact O-CA 3.42Š| ||
| 60 | L | 94.2 | Very high | 93.6 | Very high | 37 Ų | 37 | 59.2 Ų | 59.2 | 19% | 0.194 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 138.2 | 171.7 | -66.2 | 172.4 | 0 | 0 | 0 | 107.3 | E53 L54 K58 L71 D73 | E53-L60 CarbonylContact C-O 3.56Å; E53-L60 WeakPolarHBondContact CA-O 3.45Å; L54-L60 HydrophobicContact CB-CB 4.16Å; L54-L60 HydrophobicContact CD2-CD1 4.07Å; L54-L60 HydrophobicContact CD2-CG 4.47Å; L54-L60 PolarHBondContact N-O 2.88Å; K58-L60 PolarHBondContact O-N 2.7Å; K58-L60 VanDerWaalsContact O-N 3.13Å; L60-L71 HydrophobicContact CB-CD1 3.98Å; L60-L71 HydrophobicContact CB-CD2 4.43Å; L60-D73 HydrophobicContact CD1-CB 4.02Å; L60-D73 VanDerWaalsContact CD1-O 3.23Å; L60-D73 WeakPolarHBondContact CD1-O 3.18Å |
| 61 | K | 97.1 | Very high | 93.6 | Very high | 112 Ų | 112 | 59.7 Ų | 59.7 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 137.5 | -174.6 | 175.2 | 171.2 | 161.6 | 161.4 | 0 | 111.1 | E51 L52 E53 V63 | E51-K61 HydrophobicContact CG-CD 4.25Å; E51-K61 HydrophobicContact CG-CG 4.28Å; E51-K61 WeakPolarHBondContact OE1-CE 3.44Å; E51-K61 IonicContact OE1-NZ 3.13Å; E51-K61 PolarHBondContact OE1-NZ 3.2Å; E51-K61 VanDerWaalsContact OE2-CE 3.25Å; E51-K61 WeakPolarHBondContact OE2-CE 3.35Å; E51-K61 IonicContact OE2-NZ 2.76Å; E51-K61 PolarHBondContact OE2-NZ 3.33Å; L52-K61 CarbonylContact O-C 3.58Å; L52-K61 WeakPolarHBondContact O-CA 3.33Å; E53-K61 HydrophobicContact CG-CB 4.41Å; K61-V63 HydrophobicContact CD-CG2 4.38Å; K61-V63 HydrophobicContact CG-CG2 4.14Å |
| 62 | A | 97.7 | Very high | 93.4 | Very high | 15 Ų | 15 | 61.2 Ų | 61.2 | 12% | 0.124 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 140.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | E51 L52 V69 E70 L71 | E51-A62 WeakPolarHBondContact CA-O 3.2Å; L52-A62 PolarHBondContact N-O 3.15Å; L52-A62 PolarHBondContact O-N 2.87Å; A62-V69 HydrophobicContact CB-CG1 3.65Å; A62-E70 WeakPolarHBondContact CB-O 3.25Å; A62-L71 HydrophobicContact CB-CB 4.23Å; A62-L71 HydrophobicContact CB-CD1 4.02Å |
| 63 | V | 97.5 | Very high | 93.1 | Very high | 67 Ų | 67 | 66.6 Ų | 66.6 | 41% | 0.406 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 125.4 | -179.7 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | R49 Y50 E51 K61 | R49-V63 HydrophobicContact CG-CG1 3.6Å; Y50-V63 CarbonylContact O-C 3.49Å; Y50-V63 WeakPolarHBondContact O-CA 3.25Å; E51-V63 HydrophobicContact CB-CG2 4.48Å; E51-V63 HydrophobicContact CG-CG2 4.25Å; K61-V63 HydrophobicContact CD-CG2 4.38Å; K61-V63 HydrophobicContact CG-CG2 4.14Å |
| 64 | E | 97.3 | Very high | 92.8 | Very high | 85 Ų | 85 | 64.9 Ų | 64.9 | 40% | 0.397 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 150.7 | -177.7 | -65.4 | -68.3 | 168.7 | 0 | 0 | 111.6 | R49 Y50 V69 | R49-E64 CarbonylContact C-O 3.53Å; R49-E64 WeakPolarHBondContact CA-O 3.38Å; Y50-E64 PolarHBondContact N-O 2.59Å; Y50-E64 PolarHBondContact O-N 2.92Å; E64-V69 HydrophobicContact CB-CG2 4.09Å; E64-V69 HydrophobicContact CG-CB 4.45Å; E64-V69 HydrophobicContact CG-CG1 4.3Å; E64-V69 HydrophobicContact CG-CG2 4.25Å |
| 65 | T | 94.6 | Very high | 92.6 | Very high | 111 Ų | 111 | 66.3 Ų | 66.3 | 68% | 0.681 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -95.6 | -13.3 | 166.8 | 54.8 | 0 | 0 | 0 | 0 | 112 | ||
| 66 | S | 93.6 | Very high | 92.4 | Very high | 58 Ų | 58 | 63.8 Ų | 63.8 | 41% | 0.406 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -75.7 | 150.1 | 166.3 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | Y50 K68 | Y50-S66 WeakPolarHBondContact CD2-O 3.36Å; S66-K68 PolarHBondContact O-N 2.77Å |
| 67 | N | 94.1 | Very high | 92.4 | Very high | 52 Ų | 52 | 61.9 Ų | 61.9 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -67.9 | 2.2 | 177 | 71.5 | -39.9 | 0 | 0 | 0 | 114.2 | E37 V38 Y50 | E37-N67 CarbonylContact C-O 3.57Å; E37-N67 WeakPolarHBondContact CA-O 3.5Å; V38-N67 HydrophobicContact CB-CB 4.48Å; V38-N67 PolarHBondContact N-O 2.67Å; V38-N67 WeakPolarHBondContact O-CB 3.46Å; V38-N67 PolarHBondContact O-ND2 2.95Å; Y50-N67 HydrophobicContact CE2-CB 4.23Å |
| 68 | K | 97.3 | Very high | 93.3 | Very high | 91 Ų | 91 | 60.6 Ų | 60.6 | 40% | 0.396 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 125.7 | 177.1 | -175.8 | -171.2 | 172.6 | -154.9 | 0 | 109.9 | I35 Y36 S66 E70 | I35-K68 HydrophobicContact CG2-CD 4.37Å; I35-K68 HydrophobicContact CG2-CG 4.16Å; Y36-K68 CarbonylContact O-C 3.54Å; Y36-K68 VanDerWaalsContact O-CA 3.29Å; Y36-K68 WeakPolarHBondContact O-CA 3.41Å; S66-K68 PolarHBondContact O-N 2.77Å; K68-E70 IonicContact NZ-OE2 2.87Å |
| 69 | V | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 135.5 | 174.4 | -169.5 | 0 | 0 | 0 | 0 | 109.6 | I35 Y36 Y50 L52 A62 E64 F84 | I35-V69 CarbonylContact C-O 3.56Å; I35-V69 WeakPolarHBondContact CA-O 3.34Å; Y36-V69 PolarHBondContact N-O 2.82Å; Y36-V69 PolarHBondContact O-N 2.81Å; Y50-V69 HydrophobicContact CG-CG2 4.38Å; L52-V69 HydrophobicContact CB-CB 4.28Å; L52-V69 HydrophobicContact CB-CG1 3.58Å; A62-V69 HydrophobicContact CB-CG1 3.65Å; E64-V69 HydrophobicContact CB-CG2 4.09Å; E64-V69 HydrophobicContact CG-CB 4.45Å; E64-V69 HydrophobicContact CG-CG1 4.3Å; E64-V69 HydrophobicContact CG-CG2 4.25Å; V69-F84 HydrophobicContact CB-CE2 4.41Å; V69-F84 HydrophobicContact CG2-CE2 3.95Å |
| 70 | E | 97.3 | Very high | 94.4 | Very high | 76 Ų | 76 | 56.8 Ų | 56.8 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.4 | 174.9 | -179.1 | 160.7 | -170.5 | 0 | 0 | 109.4 | A34 I35 A62 K68 | A34-E70 WeakPolarHBondContact O-CA 3.34Å; I35-E70 HydrophobicContact CG1-CB 4.32Å; I35-E70 HydrophobicContact CG1-CG 3.89Å; A62-E70 WeakPolarHBondContact CB-O 3.25Å; K68-E70 IonicContact NZ-OE2 2.87Å |
| 71 | L | 96.7 | Very high | 94.6 | Very high | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 118.6 | 177.1 | -179 | 64.3 | 0 | 0 | 0 | 108.8 | C33 A34 L52 L54 L60 A62 I74 L82 | C33-L71 CarbonylContact C-O 3.59Å; C33-L71 VanDerWaalsContact CA-O 3.24Å; C33-L71 WeakPolarHBondContact CA-O 3.12Å; A34-L71 PolarHBondContact N-O 2.93Å; A34-L71 PolarHBondContact O-N 3.33Å; L52-L71 HydrophobicContact CD2-CB 3.7Å; L52-L71 HydrophobicContact CG-CB 4.1Å; L52-L71 HydrophobicContact CG-CD2 4.13Å; L54-L71 HydrophobicContact CB-CD2 4.11Å; L60-L71 HydrophobicContact CB-CD1 3.98Å; L60-L71 HydrophobicContact CB-CD2 4.43Å; A62-L71 HydrophobicContact CB-CB 4.23Å; A62-L71 HydrophobicContact CB-CD1 4.02Å; L71-I74 HydrophobicContact CB-CD1 4.31Å; L71-I74 HydrophobicContact CD2-CD1 4.21Å; L71-I74 HydrophobicContact CD2-CG1 4.44Å; L71-I74 HydrophobicContact CG-CD1 4.08Å; L71-I74 HydrophobicContact CG-CG1 4.25Å; L71-I74 VanDerWaalsContact O-CD1 3.23Å; L71-I74 WeakPolarHBondContact O-CD1 3.35Å; L71-L82 HydrophobicContact CD2-CD2 4.08Å |
| 72 | C | 93.6 | Very high | 94.5 | Very high | 42 Ų | 42 | 51.7 Ų | 51.7 | 28% | 0.284 | 28% | 0.282 | S | S | . | . | trans | -108.6 | -176.7 | -179.8 | -66.1 | 0 | 0 | 0 | 0 | 112.1 | D32 C33 I74 | D32-C72 CarbonylContact O-C 3.59Å; D32-C72 WeakPolarHBondContact O-CA 3.3Å; C33-C72 HydrophobicContact CB-CB 4.13Å; C33-C72 WeakPolarHBondContact CB-SG 2.96Å; C33-C72 WeakPolarHBondContact SG-CB 3.4Å; C33-C72 CovalentContact SG-SG 2.05Å; C33-C72 PolarHBondContact SG-SG 3.32Å; C72-I74 PolarHBondContact O-N 2.89Å | ||
| 73 | D | 91.4 | Very high | 94.5 | Very high | 114 Ų | 114 | 53.2 Ų | 53.2 | 61% | 0.61 | 29% | 0.286 | S | S | * | . | trans | 62 | 25 | -176.6 | -56.5 | -50 | 0 | 0 | 0 | 114.1 | D32 L60 | D32-D73 PolarHBondContact O-N 3.2Å; L60-D73 HydrophobicContact CD1-CB 4.02Å; L60-D73 VanDerWaalsContact CD1-O 3.23Å; L60-D73 WeakPolarHBondContact CD1-O 3.18Å | ||
| 74 | I | 92.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -80 | 135.4 | 177.8 | -58.7 | 168.6 | 0 | 0 | 0 | 109.3 | D32 A34 L54 L71 C72 M76 I80 L82 L108 | D32-I74 WeakPolarHBondContact CB-O 3.43Å; D32-I74 WeakPolarHBondContact O-CB 3.48Å; D32-I74 PolarHBondContact O-N 2.87Å; A34-I74 HydrophobicContact CB-CD1 3.56Å; L54-I74 HydrophobicContact CD1-CG2 4.15Å; L54-I74 HydrophobicContact CD2-CG1 4.5Å; L54-I74 HydrophobicContact CD2-CG2 4.22Å; L71-I74 HydrophobicContact CB-CD1 4.31Å; L71-I74 HydrophobicContact CD2-CD1 4.21Å; L71-I74 HydrophobicContact CD2-CG1 4.44Å; L71-I74 HydrophobicContact CG-CD1 4.08Å; L71-I74 HydrophobicContact CG-CG1 4.25Å; L71-I74 VanDerWaalsContact O-CD1 3.23Å; L71-I74 WeakPolarHBondContact O-CD1 3.35Å; C72-I74 PolarHBondContact O-N 2.89Å; I74-M76 PolarHBondContact O-N 3.07Å; I74-I80 HydrophobicContact CG2-CD1 3.24Å; I74-I80 HydrophobicContact CG2-CG1 4.44Å; I74-I80 HydrophobicContact CG2-CG2 4.22Å; I74-L82 HydrophobicContact CD1-CD2 4Å; I74-L108 HydrophobicContact CB-CD1 3.98Å; I74-L108 HydrophobicContact CG2-CD1 3.79Å |
| 75 | P | 92 | Very high | 94.5 | Very high | 41 Ų | 41 | 46 Ų | 46 | 27% | 0.266 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -53.4 | 133.1 | 175.4 | -26.9 | 35.1 | 0 | 0 | 0 | 112.7 | K78 I80 | P75-K78 HydrophobicContact CB-CD 4.44Å; P75-I80 HydrophobicContact CB-CG2 4.41Å |
| 76 | M | 90.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -93.1 | 160.8 | 178.3 | -69.3 | 177 | -73.7 | 0 | 0 | 111 | D32 I74 K78 L108 K112 Q132 D133 N136 | D32-M76 HydrophobicContact CB-CE 4.4Å; D32-M76 HydrophobicContact CB-CG 4.23Å; D32-M76 HydrophobicContact CB-SD 4.25Å; I74-M76 PolarHBondContact O-N 3.07Å; M76-K78 PolarHBondContact O-N 3.24Å; M76-L108 HydrophobicContact CG-CB 4.3Å; M76-K112 HydrophobicContact CE-CB 4.28Å; M76-K112 HydrophobicContact SD-CB 4.13Å; M76-Q132 HydrophobicContact CE-CB 3.92Å; M76-Q132 HydrophobicContact CE-CG 4.19Å; M76-D133 HydrophobicContact CB-CB 4.19Å; M76-D133 HydrophobicContact CE-CB 3.53Å; M76-D133 PolarHBondContact N-OD2 3.36Å; M76-N136 WeakPolarHBondContact O-CB 3.37Å |
| 77 | C | 90.1 | Very high | 94.7 | Very high | 16 Ų | 16 | 39.6 Ų | 39.6 | 11% | 0.108 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 54.8 | 24.1 | 174.5 | -49.8 | 0 | 0 | 0 | 0 | 115 | L108 N136 C137 K140 | C77-L108 PolarHBondContact N-O 3.02Å; C77-N136 HydrophobicContact CB-CB 4.38Å; C77-N136 VanDerWaalsContact CB-O 3.31Å; C77-N136 WeakPolarHBondContact CB-O 3.5Å; C77-C137 HydrophobicContact CB-CB 3.84Å; C77-C137 WeakPolarHBondContact CB-SG 2.96Å; C77-C137 VanDerWaalsContact SG-CA 3.5Å; C77-C137 WeakPolarHBondContact SG-CB 3.23Å; C77-C137 CovalentContact SG-SG 2.04Å; C77-C137 PolarHBondContact SG-SG 2.95Å; C77-K140 HydrophobicContact CB-CG 4.26Å |
| 78 | K | 91 | Very high | 94.7 | Very high | 111 Ų | 111 | 38.6 Ų | 38.6 | 48% | 0.483 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -138.6 | 140.8 | -176.1 | -177.4 | 176.6 | 179 | 176.6 | 0 | 108.5 | P75 M76 I80 S107 N136 | P75-K78 HydrophobicContact CB-CD 4.44Å; M76-K78 PolarHBondContact O-N 3.24Å; K78-I80 PolarHBondContact O-N 3.21Å; K78-S107 PolarHBondContact N-OG 2.98Å; K78-S107 WeakPolarHBondContact O-CA 3.19Å; K78-N136 HydrophobicContact CB-CB 4.45Å |
| 79 | N | 92.7 | Very high | 94.6 | Very high | 136 Ų | 136 | 36 Ų | 36 | 73% | 0.727 | 18% | 0.184 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 125.9 | 171.7 | -72.8 | -10 | 0 | 0 | 0 | 110.1 | K106 S107 | N79-K106 CarbonylContact C-O 3.54Å; N79-K106 WeakPolarHBondContact CA-O 3.48Å; N79-S107 WeakPolarHBondContact OD1-CB 3.1Å |
| 80 | I | 94.2 | Very high | 94.4 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 160.1 | 179.7 | 55 | 167 | 0 | 0 | 0 | 109.5 | L54 I74 P75 K78 L82 E105 K106 L108 | L54-I80 HydrophobicContact CD1-CB 3.76Å; L54-I80 HydrophobicContact CD1-CD1 4.42Å; L54-I80 HydrophobicContact CD1-CG2 4.01Å; I74-I80 HydrophobicContact CG2-CD1 3.24Å; I74-I80 HydrophobicContact CG2-CG1 4.44Å; I74-I80 HydrophobicContact CG2-CG2 4.22Å; P75-I80 HydrophobicContact CB-CG2 4.41Å; K78-I80 PolarHBondContact O-N 3.21Å; I80-L82 HydrophobicContact CD1-CD1 4.23Å; I80-L82 HydrophobicContact CD1-CG 4.28Å; I80-E105 WeakPolarHBondContact O-CA 3.24Å; I80-K106 HydrophobicContact CD1-CB 4.43Å; I80-K106 HydrophobicContact CG1-CB 4.18Å; I80-K106 WeakPolarHBondContact CG1-O 3.29Å; I80-K106 PolarHBondContact N-O 3.02Å; I80-K106 PolarHBondContact O-N 3.25Å; I80-L108 HydrophobicContact CD1-CD1 4.3Å; I80-L108 HydrophobicContact CD1-CD2 4.38Å; I80-L108 HydrophobicContact CD1-CG 4.08Å |
| 81 | V | 96.4 | Very high | 94.1 | Very high | 41 Ų | 41 | 42.9 Ų | 42.9 | 25% | 0.248 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 119.7 | 173.3 | -173.3 | 0 | 0 | 0 | 0 | 109 | L55 Q103 Y104 E105 | L55-V81 HydrophobicContact CB-CB 4.31Å; L55-V81 HydrophobicContact CD1-CB 4.5Å; L55-V81 HydrophobicContact CD1-CG1 3.93Å; L55-V81 HydrophobicContact CG-CG1 4.48Å; L55-V81 PolarHBondContact N-O 3.06Å; V81-Q103 HydrophobicContact CG1-CB 4.05Å; V81-Q103 HydrophobicContact CG1-CG 4.44Å; V81-Y104 WeakPolarHBondContact CA-O 3.34Å; V81-E105 HydrophobicContact CG2-CG 4.31Å |
| 82 | L | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 124.1 | 175.6 | -69.5 | 167.6 | 0 | 0 | 0 | 109.6 | Y29 A34 Y36 L52 E53 L54 L71 I74 I80 Q103 Y104 | Y29-L82 HydrophobicContact CE1-CD1 3.81Å; A34-L82 HydrophobicContact CB-CD1 3.69Å; Y36-L82 HydrophobicContact CE1-CD1 4.3Å; L52-L82 HydrophobicContact CD1-CB 4.11Å; L52-L82 HydrophobicContact CD1-CD2 4.38Å; E53-L82 CarbonylContact O-C 3.54Å; E53-L82 VanDerWaalsContact O-CA 3.31Å; E53-L82 WeakPolarHBondContact O-CA 3.48Å; L54-L82 HydrophobicContact CB-CD2 4.16Å; L54-L82 HydrophobicContact CD1-CD2 4.15Å; L71-L82 HydrophobicContact CD2-CD2 4.08Å; I74-L82 HydrophobicContact CD1-CD2 4Å; I80-L82 HydrophobicContact CD1-CD1 4.23Å; I80-L82 HydrophobicContact CD1-CG 4.28Å; L82-Q103 CarbonylContact O-C 3.52Å; L82-Q103 WeakPolarHBondContact O-CA 3.14Å; L82-Y104 PolarHBondContact N-O 2.72Å; L82-Y104 PolarHBondContact O-N 2.05Å |
| 83 | K | 97.1 | Very high | 93.7 | Very high | 47 Ų | 47 | 49 Ų | 49 | 20% | 0.204 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 126.5 | 171.7 | -171.2 | -179 | -178.6 | -123 | 0 | 109 | L52 E53 L55 D85 K102 Q103 | L52-K83 WeakPolarHBondContact CA-O 3.29Å; E53-K83 HydrophobicContact CB-CB 4.41Å; E53-K83 PolarHBondContact N-O 3.4Å; E53-K83 PolarHBondContact O-N 3.02Å; L55-K83 HydrophobicContact CD1-CB 4.17Å; L55-K83 HydrophobicContact CD2-CB 4.03Å; L55-K83 HydrophobicContact CD2-CD 4.39Å; L55-K83 HydrophobicContact CG-CB 4.1Å; K83-D85 VanDerWaalsContact CE-OD2 3.29Å; K83-D85 WeakPolarHBondContact CE-OD2 3.47Å; K83-D85 IonicContact NZ-OD1 3.8Å; K83-D85 IonicContact NZ-OD2 3.6Å; K83-D85 PolarHBondContact NZ-OD2 2.81Å; K83-K102 WeakPolarHBondContact CA-O 3.05Å; K83-Q103 HydrophobicContact CB-CG 4.29Å; K83-Q103 HydrophobicContact CG-CG 4.17Å |
| 84 | F | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.1 | 175.6 | -171.8 | -117.5 | 0 | 0 | 0 | 110 | I25 Y36 V38 Y50 E51 L52 V69 I86 F100 S101 K102 Y104 | I25-F84 HydrophobicContact CD1-CD1 3.93Å; I25-F84 HydrophobicContact CD1-CE1 3.95Å; I25-F84 HydrophobicContact CG1-CE1 4.28Å; I25-F84 HydrophobicContact CG2-CD1 4.34Å; I25-F84 HydrophobicContact CG2-CE1 4.12Å; Y36-F84 HydrophobicContact CD2-CB 4.06Å; Y36-F84 HydrophobicContact CD2-CD1 4.02Å; Y36-F84 AromaticContact CD2-CD2 3.84Å; Y36-F84 HydrophobicContact CD2-CD2 3.84Å; Y36-F84 HydrophobicContact CD2-CE1 4.41Å; Y36-F84 HydrophobicContact CD2-CE2 4.27Å; Y36-F84 AromaticContact CD2-CG 3.7Å; Y36-F84 HydrophobicContact CD2-CG 3.7Å; Y36-F84 HydrophobicContact CE2-CB 4.07Å; Y36-F84 HydrophobicContact CE2-CG 4.23Å; Y36-F84 HydrophobicContact CG-CD2 4.22Å; Y36-F84 HydrophobicContact CG-CE2 4.39Å; V38-F84 HydrophobicContact CG2-CE1 3.65Å; V38-F84 HydrophobicContact CG2-CZ 3.54Å; Y50-F84 HydrophobicContact CD1-CZ 4.07Å; E51-F84 CarbonylContact O-C 3.58Å; E51-F84 VanDerWaalsContact O-CA 3.32Å; E51-F84 WeakPolarHBondContact O-CA 3.35Å; E51-F84 WeakPolarHBondContact O-CD2 3.42Å; L52-F84 HydrophobicContact CB-CD2 4.16Å; L52-F84 HydrophobicContact CD1-CB 4.19Å; L52-F84 HydrophobicContact CD1-CD2 4.05Å; V69-F84 HydrophobicContact CB-CE2 4.41Å; V69-F84 HydrophobicContact CG2-CE2 3.95Å; F84-I86 HydrophobicContact CD1-CG1 4.34Å; F84-I86 HydrophobicContact CE1-CD1 3.91Å; F84-I86 HydrophobicContact CE1-CG1 3.73Å; F84-I86 HydrophobicContact CZ-CG1 4.19Å; F84-F100 HydrophobicContact CD1-CD1 4.29Å; F84-F100 HydrophobicContact CD1-CE1 4.15Å; F84-S101 WeakPolarHBondContact O-CA 3.33Å; F84-K102 PolarHBondContact N-O 2.76Å; F84-K102 PolarHBondContact O-N 3.39Å; F84-Y104 HydrophobicContact CB-CD2 4.32Å; F84-Y104 HydrophobicContact CB-CE2 3.87Å |
| 85 | D | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 140.9 | 179.2 | -70.2 | -57.4 | 0 | 0 | 0 | 110.5 | E51 K83 Y87 N98 F100 S101 | E51-D85 HydrophobicContact CB-CB 4.23Å; E51-D85 PolarHBondContact N-O 2.9Å; E51-D85 PolarHBondContact O-N 3.5Å; K83-D85 VanDerWaalsContact CE-OD2 3.29Å; K83-D85 WeakPolarHBondContact CE-OD2 3.47Å; K83-D85 IonicContact NZ-OD1 3.8Å; K83-D85 IonicContact NZ-OD2 3.6Å; K83-D85 PolarHBondContact NZ-OD2 2.81Å; D85-Y87 HydrophobicContact CB-CD2 4.31Å; D85-Y87 HydrophobicContact CB-CE2 3.48Å; D85-Y87 VanDerWaalsContact CB-CE2 3.48Å; D85-N98 PolarHBondContact OD1-ND2 2.84Å; D85-F100 CarbonylContact C-O 3.5Å; D85-F100 VanDerWaalsContact CA-O 3.29Å; D85-F100 WeakPolarHBondContact CA-O 3.04Å; D85-S101 WeakPolarHBondContact OD1-CA 3.49Å; D85-S101 WeakPolarHBondContact OD1-CB 3.35Å; D85-S101 PolarHBondContact OD1-OG 2.99Å |
| 86 | I | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.8 | 170.2 | -50 | 173.4 | 0 | 0 | 0 | 107.4 | V20 V38 M40 Y50 F84 I99 F100 | V20-I86 HydrophobicContact CB-CD1 4.42Å; V20-I86 HydrophobicContact CG1-CD1 3.72Å; V20-I86 HydrophobicContact CG2-CD1 4.44Å; V38-I86 HydrophobicContact CG1-CD1 4.05Å; V38-I86 HydrophobicContact CG2-CD1 4.04Å; M40-I86 HydrophobicContact CE-CG2 4.1Å; M40-I86 HydrophobicContact SD-CD1 4.38Å; M40-I86 HydrophobicContact SD-CG2 4.5Å; Y50-I86 HydrophobicContact CD1-CB 4.4Å; Y50-I86 HydrophobicContact CD1-CD1 4.41Å; Y50-I86 HydrophobicContact CD1-CG1 3.92Å; Y50-I86 HydrophobicContact CD1-CG2 3.92Å; Y50-I86 HydrophobicContact CE1-CB 4.5Å; Y50-I86 HydrophobicContact CE1-CD1 4.25Å; Y50-I86 HydrophobicContact CE1-CG1 4.16Å; Y50-I86 HydrophobicContact CE1-CG2 3.64Å; F84-I86 HydrophobicContact CD1-CG1 4.34Å; F84-I86 HydrophobicContact CE1-CD1 3.91Å; F84-I86 HydrophobicContact CE1-CG1 3.73Å; F84-I86 HydrophobicContact CZ-CG1 4.19Å; I86-I99 HydrophobicContact CB-CG1 4.07Å; I86-I99 HydrophobicContact CG2-CD1 3.88Å; I86-I99 HydrophobicContact CG2-CG1 3.92Å; I86-I99 VanDerWaalsContact O-CG1 3.3Å; I86-I99 WeakPolarHBondContact O-CG1 3.47Å; I86-I99 PolarHBondContact O-N 2.92Å; I86-F100 HydrophobicContact CB-CB 3.92Å; I86-F100 HydrophobicContact CD1-CB 3.93Å; I86-F100 HydrophobicContact CD1-CD1 4.14Å; I86-F100 HydrophobicContact CD1-CG 4.15Å; I86-F100 HydrophobicContact CG1-CB 3.99Å; I86-F100 HydrophobicContact CG1-CD1 4.19Å; I86-F100 HydrophobicContact CG1-CG 4.43Å; I86-F100 PolarHBondContact N-O 2.92Å; I86-F100 PolarHBondContact O-N 3.16Å |
| 87 | Y | 95.5 | Very high | 94 | Very high | 35 Ų | 35 | 66 Ų | 66 | 14% | 0.137 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 148.7 | 176.1 | -54.8 | -95.6 | 0 | 0 | 0 | 110.4 | Y48 R49 E51 D85 K97 N98 | Y48-Y87 WeakPolarHBondContact CA-O 3.44Å; R49-Y87 PolarHBondContact N-O 2.77Å; R49-Y87 PolarHBondContact O-N 2.87Å; E51-Y87 HydrophobicContact CB-CE2 4.01Å; D85-Y87 HydrophobicContact CB-CD2 4.31Å; D85-Y87 HydrophobicContact CB-CE2 3.48Å; D85-Y87 VanDerWaalsContact CB-CE2 3.48Å; Y87-K97 CarbonylContact C-O 3.51Å; Y87-K97 WeakPolarHBondContact CA-O 3.26Å; Y87-N98 HydrophobicContact CD1-CB 3.89Å; Y87-N98 HydrophobicContact CE1-CB 3.77Å |
| 88 | E | 94.8 | Very high | 94.3 | Very high | 32 Ų | 32 | 68.7 Ų | 68.7 | 15% | 0.15 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 153.3 | 167.8 | 77.2 | -177.6 | -173.8 | 0 | 0 | 110.7 | R46 E47 Y48 K97 I99 | R46-E88 VanDerWaalsContact CD-OE2 3.26Å; R46-E88 WeakPolarHBondContact CD-OE2 3.31Å; R46-E88 IonicContact CZ-OE1 2.96Å; R46-E88 VanDerWaalsContact CZ-OE1 3.25Å; R46-E88 IonicContact CZ-OE2 2.64Å; R46-E88 IonicContact NE-OE1 2.84Å; R46-E88 IonicContact NE-OE2 2.68Å; R46-E88 IonicContact NH1-OE1 2.67Å; R46-E88 PolarHBondContact NH1-OE1 2.97Å; R46-E88 IonicContact NH1-OE2 3.92Å; R46-E88 IonicContact NH2-OE1 3.84Å; E47-E88 CarbonylContact O-C 3.52Å; E47-E88 VanDerWaalsContact O-CA 3.27Å; E47-E88 WeakPolarHBondContact O-CA 3.32Å; Y48-E88 HydrophobicContact CD1-CB 3.76Å; Y48-E88 HydrophobicContact CE1-CB 3.6Å; E88-K97 PolarHBondContact N-O 3.32Å; E88-K97 PolarHBondContact O-N 2.04Å; E88-I99 HydrophobicContact CB-CD1 4.13Å; E88-I99 HydrophobicContact CB-CG2 4.41Å; E88-I99 HydrophobicContact CG-CD1 4.28Å; E88-I99 HydrophobicContact CG-CG2 3.55Å |
| 89 | K | 94.7 | Very high | 94.4 | Very high | 35 Ų | 35 | 66.1 Ų | 66.1 | 15% | 0.152 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 159.3 | 163.3 | 62.4 | 174.5 | -172.1 | 147.8 | 0 | 109.5 | R46 E47 D93 E95 Y96 | R46-K89 CarbonylContact C-O 3.58Å; R46-K89 WeakPolarHBondContact CA-O 3.43Å; R46-K89 WeakPolarHBondContact CB-O 3.41Å; E47-K89 HydrophobicContact CB-CG 4.12Å; E47-K89 PolarHBondContact N-O 2.84Å; E47-K89 PolarHBondContact O-N 2.87Å; E47-K89 WeakPolarHBondContact OE2-CE 3.03Å; E47-K89 IonicContact OE2-NZ 3.86Å; E47-K89 PolarHBondContact OE2-NZ 2.87Å; K89-D93 HydrophobicContact CB-CB 4.33Å; K89-D93 PolarHBondContact NZ-O 2.84Å; K89-E95 VanDerWaalsContact CB-O 3.25Å; K89-E95 WeakPolarHBondContact CB-O 3.08Å; K89-Y96 HydrophobicContact CB-CD1 4.16Å; K89-Y96 HydrophobicContact CB-CE1 4.45Å; K89-Y96 HydrophobicContact CB-CG 4.38Å; K89-Y96 HydrophobicContact CD-CD1 4.29Å; K89-Y96 HydrophobicContact CD-CD2 3.86Å; K89-Y96 HydrophobicContact CD-CE1 4.1Å; K89-Y96 HydrophobicContact CD-CE2 3.66Å; K89-Y96 HydrophobicContact CD-CG 4.18Å; K89-Y96 HydrophobicContact CG-CD1 3.9Å; K89-Y96 HydrophobicContact CG-CD2 4.39Å; K89-Y96 HydrophobicContact CG-CE1 3.72Å; K89-Y96 HydrophobicContact CG-CE2 4.22Å; K89-Y96 HydrophobicContact CG-CG 4.24Å |
| 90 | K | 93.7 | Very high | 94.5 | Very high | 98 Ų | 98 | 60.9 Ų | 60.9 | 43% | 0.426 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 155.8 | 163.6 | -58.2 | 178.4 | 177.5 | 177.9 | 0 | 109.4 | D92 D93 | K90-D92 WeakPolarHBondContact CB-OD1 3.43Å; K90-D92 PolarHBondContact O-N 2.98Å; K90-D93 HydrophobicContact CB-CB 4.11Å; K90-D93 WeakPolarHBondContact CB-OD2 3.31Å; K90-D93 WeakPolarHBondContact CG-OD2 3.21Å; K90-D93 PolarHBondContact O-N 3.21Å; K90-D93 VanDerWaalsContact O-N 3.09Å |
| 91 | K | 91.5 | Very high | 94.5 | Very high | 123 Ų | 123 | 63.5 Ų | 63.5 | 54% | 0.535 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28.3 | 179.1 | -73.3 | 175.9 | -179.8 | 173.8 | 0 | 113.7 | P44 D45 E47 | P44-K91 WeakPolarHBondContact O-CE 3.36Å; P44-K91 PolarHBondContact O-NZ 2.91Å; D45-K91 PolarHBondContact O-N 3Å; E47-K91 HydrophobicContact CG-CG 4.01Å |
| 92 | D | 90.9 | Very high | 94.5 | Very high | 130 Ų | 130 | 64.7 Ų | 64.7 | 70% | 0.695 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -7.9 | 177 | 60.6 | -31.3 | 0 | 0 | 0 | 113.7 | K90 | K90-D92 WeakPolarHBondContact CB-OD1 3.43Å; K90-D92 PolarHBondContact O-N 2.98Å |
| 93 | D | 92 | Very high | 94.5 | Very high | 52 Ų | 52 | 70.1 Ų | 70.1 | 28% | 0.278 | 34% | 0.338 | S | S | . | . | trans | -84.8 | 148.9 | 175.6 | -73.7 | -20.5 | 0 | 0 | 0 | 111 | K89 K90 | K89-D93 HydrophobicContact CB-CB 4.33Å; K89-D93 PolarHBondContact NZ-O 2.84Å; K90-D93 HydrophobicContact CB-CB 4.11Å; K90-D93 WeakPolarHBondContact CB-OD2 3.31Å; K90-D93 WeakPolarHBondContact CG-OD2 3.21Å; K90-D93 PolarHBondContact O-N 3.21Å; K90-D93 VanDerWaalsContact O-N 3.09Å | ||
| 94 | N | 90.5 | Very high | 94.3 | Very high | 160 Ų | 160 | 68.2 Ų | 68.2 | 86% | 0.856 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -88.5 | -21.6 | 175.9 | -69.5 | -35 | 0 | 0 | 0 | 113.3 | ||
| 95 | E | 93.7 | Very high | 94.2 | Very high | 154 Ų | 154 | 76.2 Ų | 76.2 | 72% | 0.72 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -118.4 | 132.3 | -168.7 | -67.5 | -174.9 | 178.2 | 0 | 0 | 112.9 | K89 | K89-E95 VanDerWaalsContact CB-O 3.25Å; K89-E95 WeakPolarHBondContact CB-O 3.08Å |
| 96 | Y | 94.6 | Very high | 94 | Very high | 64 Ų | 64 | 77.3 Ų | 77.3 | 25% | 0.251 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -76 | 130.9 | 170.6 | -82.1 | -81.7 | 0 | 0 | 0 | 111.1 | R49 K89 | R49-Y96 HydrophobicContact CB-CD1 4.09Å; R49-Y96 HydrophobicContact CB-CE1 3.7Å; K89-Y96 HydrophobicContact CB-CD1 4.16Å; K89-Y96 HydrophobicContact CB-CE1 4.45Å; K89-Y96 HydrophobicContact CB-CG 4.38Å; K89-Y96 HydrophobicContact CD-CD1 4.29Å; K89-Y96 HydrophobicContact CD-CD2 3.86Å; K89-Y96 HydrophobicContact CD-CE1 4.1Å; K89-Y96 HydrophobicContact CD-CE2 3.66Å; K89-Y96 HydrophobicContact CD-CG 4.18Å; K89-Y96 HydrophobicContact CG-CD1 3.9Å; K89-Y96 HydrophobicContact CG-CD2 4.39Å; K89-Y96 HydrophobicContact CG-CE1 3.72Å; K89-Y96 HydrophobicContact CG-CE2 4.22Å; K89-Y96 HydrophobicContact CG-CG 4.24Å |
| 97 | K | 94.1 | Very high | 93.6 | Very high | 139 Ų | 139 | 78 Ų | 78 | 60% | 0.604 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 135.2 | 170.6 | -64.3 | 179.9 | -178.8 | 175.6 | 0 | 109.3 | Y87 E88 I99 | Y87-K97 CarbonylContact C-O 3.51Å; Y87-K97 WeakPolarHBondContact CA-O 3.26Å; E88-K97 PolarHBondContact N-O 3.32Å; E88-K97 PolarHBondContact O-N 2.04Å; K97-I99 PolarHBondContact O-N 3.45Å |
| 98 | N | 94.4 | Very high | 93.3 | Very high | 73 Ų | 73 | 76.4 Ų | 76.4 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 126.3 | 172.7 | -174.9 | -64.3 | 0 | 0 | 0 | 109 | D85 Y87 F100 | D85-N98 PolarHBondContact OD1-ND2 2.84Å; Y87-N98 HydrophobicContact CD1-CB 3.89Å; Y87-N98 HydrophobicContact CE1-CB 3.77Å; N98-F100 PolarHBondContact ND2-O 2.86Å; N98-F100 PolarHBondContact OD1-N 2.82Å; N98-F100 VanDerWaalsContact OD1-N 3.12Å; N98-F100 PolarHBondContact OD1-O 2.79Å |
| 99 | I | 93.3 | Very high | 92.8 | Very high | 56 Ų | 56 | 77.8 Ų | 77.8 | 29% | 0.287 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | -12 | 177.7 | 57.3 | 166.2 | 0 | 0 | 0 | 112.9 | V20 M40 Y48 I86 E88 K97 | V20-I99 HydrophobicContact CG2-CD1 3.99Å; M40-I99 HydrophobicContact CE-CD1 4.28Å; Y48-I99 HydrophobicContact CD1-CD1 4.36Å; Y48-I99 HydrophobicContact CE1-CD1 4.08Å; I86-I99 HydrophobicContact CB-CG1 4.07Å; I86-I99 HydrophobicContact CG2-CD1 3.88Å; I86-I99 HydrophobicContact CG2-CG1 3.92Å; I86-I99 VanDerWaalsContact O-CG1 3.3Å; I86-I99 WeakPolarHBondContact O-CG1 3.47Å; I86-I99 PolarHBondContact O-N 2.92Å; E88-I99 HydrophobicContact CB-CD1 4.13Å; E88-I99 HydrophobicContact CB-CG2 4.41Å; E88-I99 HydrophobicContact CG-CD1 4.28Å; E88-I99 HydrophobicContact CG-CG2 3.55Å; K97-I99 PolarHBondContact O-N 3.45Å |
| 100 | F | 94.8 | Very high | 92.4 | Very high | 26 Ų | 26 | 76.2 Ų | 76.2 | 11% | 0.114 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 136.5 | 176.1 | -176.2 | -90.4 | 0 | 0 | 0 | 109.1 | V20 I25 F84 D85 I86 N98 K102 | V20-F100 HydrophobicContact CB-CB 4.2Å; V20-F100 HydrophobicContact CB-CD2 4.04Å; V20-F100 HydrophobicContact CB-CG 4.38Å; V20-F100 HydrophobicContact CG1-CD2 4.15Å; V20-F100 HydrophobicContact CG1-CG 4.41Å; V20-F100 WeakPolarHBondContact O-CD2 3.15Å; I25-F100 HydrophobicContact CD1-CD1 3.95Å; I25-F100 HydrophobicContact CD1-CE1 3.3Å; I25-F100 HydrophobicContact CD1-CE2 4.02Å; I25-F100 HydrophobicContact CD1-CZ 3.34Å; F84-F100 HydrophobicContact CD1-CD1 4.29Å; F84-F100 HydrophobicContact CD1-CE1 4.15Å; D85-F100 CarbonylContact C-O 3.5Å; D85-F100 VanDerWaalsContact CA-O 3.29Å; D85-F100 WeakPolarHBondContact CA-O 3.04Å; I86-F100 HydrophobicContact CB-CB 3.92Å; I86-F100 HydrophobicContact CD1-CB 3.93Å; I86-F100 HydrophobicContact CD1-CD1 4.14Å; I86-F100 HydrophobicContact CD1-CG 4.15Å; I86-F100 HydrophobicContact CG1-CB 3.99Å; I86-F100 HydrophobicContact CG1-CD1 4.19Å; I86-F100 HydrophobicContact CG1-CG 4.43Å; I86-F100 PolarHBondContact N-O 2.92Å; I86-F100 PolarHBondContact O-N 3.16Å; N98-F100 PolarHBondContact ND2-O 2.86Å; N98-F100 PolarHBondContact OD1-N 2.82Å; N98-F100 VanDerWaalsContact OD1-N 3.12Å; N98-F100 PolarHBondContact OD1-O 2.79Å; F100-K102 HydrophobicContact CE1-CB 3.51Å; F100-K102 HydrophobicContact CZ-CB 3.56Å; F100-K102 HydrophobicContact CZ-CD 4.2Å; F100-K102 HydrophobicContact CZ-CG 4.48Å |
| 101 | S | 95.2 | Very high | 92.1 | Very high | 68 Ų | 68 | 71.6 Ų | 71.6 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 119.1 | 174.1 | 164.1 | 0 | 0 | 0 | 0 | 108.1 | F84 D85 | F84-S101 WeakPolarHBondContact O-CA 3.33Å; D85-S101 WeakPolarHBondContact OD1-CA 3.49Å; D85-S101 WeakPolarHBondContact OD1-CB 3.35Å; D85-S101 PolarHBondContact OD1-OG 2.99Å |
| 102 | K | 96.1 | Very high | 92 | Very high | 67 Ų | 67 | 68.8 Ų | 68.8 | 29% | 0.291 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 143.8 | 173.6 | -169.6 | 164.5 | -174.3 | -172.5 | 0 | 111.7 | E22 K83 F84 F100 Y104 | E22-K102 IonicContact OE1-NZ 2.72Å; E22-K102 PolarHBondContact OE1-NZ 2.93Å; E22-K102 IonicContact OE2-NZ 3.25Å; E22-K102 PolarHBondContact OE2-NZ 2.83Å; K83-K102 WeakPolarHBondContact CA-O 3.05Å; F84-K102 PolarHBondContact N-O 2.76Å; F84-K102 PolarHBondContact O-N 3.39Å; F100-K102 HydrophobicContact CE1-CB 3.51Å; F100-K102 HydrophobicContact CZ-CB 3.56Å; F100-K102 HydrophobicContact CZ-CD 4.2Å; F100-K102 HydrophobicContact CZ-CG 4.48Å; K102-Y104 HydrophobicContact CB-CE2 3.94Å; K102-Y104 HydrophobicContact CD-CD1 4.43Å; K102-Y104 HydrophobicContact CD-CE1 3.66Å; K102-Y104 HydrophobicContact CD-CE2 4.48Å; K102-Y104 HydrophobicContact CG-CD1 4.41Å; K102-Y104 HydrophobicContact CG-CE1 3.97Å; K102-Y104 HydrophobicContact CG-CE2 4.08Å |
| 103 | Q | 96.2 | Very high | 91.9 | Very high | 114 Ų | 114 | 63.3 Ų | 63.3 | 53% | 0.533 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 142.7 | 170.3 | -65.2 | -177.9 | 17.7 | 0 | 0 | 110.1 | L55 V81 L82 K83 | L55-Q103 HydrophobicContact CD1-CG 4.29Å; V81-Q103 HydrophobicContact CG1-CB 4.05Å; V81-Q103 HydrophobicContact CG1-CG 4.44Å; L82-Q103 CarbonylContact O-C 3.52Å; L82-Q103 WeakPolarHBondContact O-CA 3.14Å; K83-Q103 HydrophobicContact CB-CG 4.29Å; K83-Q103 HydrophobicContact CG-CG 4.17Å |
| 104 | Y | 94.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 64 Ų | 64 | 3% | 0.027 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 116.4 | -177.9 | -60.8 | -75.1 | 0 | 0 | 0 | 109.6 | E22 R27 Y36 V81 L82 F84 K102 | E22-Y104 WeakPolarHBondContact OE1-CE1 3.49Å; R27-Y104 VanDerWaalsContact NH1-CE1 3.28Å; Y36-Y104 AromaticContact CE2-CD2 3.63Å; Y36-Y104 HydrophobicContact CE2-CD2 3.63Å; Y36-Y104 AromaticContact CE2-CE2 3.59Å; Y36-Y104 HydrophobicContact CE2-CE2 3.59Å; Y36-Y104 HydrophobicContact CE2-CG 4.43Å; Y36-Y104 WeakPolarHBondContact OH-CD2 3.45Å; V81-Y104 WeakPolarHBondContact CA-O 3.34Å; L82-Y104 PolarHBondContact N-O 2.72Å; L82-Y104 PolarHBondContact O-N 2.05Å; F84-Y104 HydrophobicContact CB-CD2 4.32Å; F84-Y104 HydrophobicContact CB-CE2 3.87Å; K102-Y104 HydrophobicContact CB-CE2 3.94Å; K102-Y104 HydrophobicContact CD-CD1 4.43Å; K102-Y104 HydrophobicContact CD-CE1 3.66Å; K102-Y104 HydrophobicContact CD-CE2 4.48Å; K102-Y104 HydrophobicContact CG-CD1 4.41Å; K102-Y104 HydrophobicContact CG-CE1 3.97Å; K102-Y104 HydrophobicContact CG-CE2 4.08Å |
| 105 | E | 94.4 | Very high | 92 | Very high | 168 Ų | 168 | 59.8 Ų | 59.8 | 79% | 0.785 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 132.3 | 168.4 | -62.9 | -173.3 | -175.6 | 0 | 0 | 109.6 | I80 V81 | I80-E105 WeakPolarHBondContact O-CA 3.24Å; V81-E105 HydrophobicContact CG2-CG 4.31Å |
| 106 | K | 92.3 | Very high | 91.9 | Very high | 23 Ų | 23 | 53.3 Ų | 53.3 | 10% | 0.1 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 155 | 178.8 | -166.5 | 68.5 | 175.9 | -168 | 0 | 110.1 | Y29 N79 I80 L108 D182 E184 | Y29-K106 HydrophobicContact CD1-CG 4.34Å; Y29-K106 HydrophobicContact CD2-CD 4.32Å; Y29-K106 VanDerWaalsContact CD2-CE 3.43Å; Y29-K106 HydrophobicContact CE1-CB 4.49Å; Y29-K106 HydrophobicContact CE1-CD 4.45Å; Y29-K106 HydrophobicContact CE1-CG 3.86Å; Y29-K106 HydrophobicContact CE2-CD 3.8Å; Y29-K106 HydrophobicContact CE2-CG 4.11Å; N79-K106 CarbonylContact C-O 3.54Å; N79-K106 WeakPolarHBondContact CA-O 3.48Å; I80-K106 HydrophobicContact CD1-CB 4.43Å; I80-K106 HydrophobicContact CG1-CB 4.18Å; I80-K106 WeakPolarHBondContact CG1-O 3.29Å; I80-K106 PolarHBondContact N-O 3.02Å; I80-K106 PolarHBondContact O-N 3.25Å; K106-L108 HydrophobicContact CG-CD2 3.96Å; K106-D182 WeakPolarHBondContact CE-OD2 3.31Å; K106-D182 IonicContact NZ-OD1 3.94Å; K106-D182 PolarHBondContact NZ-OD1 2.9Å; K106-D182 IonicContact NZ-OD2 2.7Å; K106-D182 PolarHBondContact NZ-OD2 3.18Å; K106-E184 IonicContact NZ-OE2 2.61Å; K106-E184 PolarHBondContact NZ-OE2 3.33Å |
| 107 | S | 88.7 | Confident | 91.9 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 10% | 0.098 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.1 | 158.8 | 178.9 | 0 | 0 | 0 | 0 | 107.6 | K78 N79 E109 | K78-S107 PolarHBondContact N-OG 2.98Å; K78-S107 WeakPolarHBondContact O-CA 3.19Å; N79-S107 WeakPolarHBondContact OD1-CB 3.1Å; S107-E109 VanDerWaalsContact C-N 3.31Å; S107-E109 WeakPolarHBondContact CB-OE1 3.07Å; S107-E109 PolarHBondContact O-N 2.85Å; S107-E109 PolarHBondContact OG-OE1 2.96Å |
| 108 | L | 88 | Confident | 92 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | trans | -81.8 | 83.1 | 178.3 | -51 | -178.9 | 0 | 0 | 0 | 108.7 | Y29 Y31 I74 M76 C77 I80 K106 A110 | Y29-L108 HydrophobicContact CD1-CD2 3.29Å; Y29-L108 HydrophobicContact CE1-CD2 3.98Å; Y29-L108 HydrophobicContact CG-CD2 3.77Å; Y31-L108 WeakPolarHBondContact O-CD1 3.31Å; I74-L108 HydrophobicContact CB-CD1 3.98Å; I74-L108 HydrophobicContact CG2-CD1 3.79Å; M76-L108 HydrophobicContact CG-CB 4.3Å; C77-L108 PolarHBondContact N-O 3.02Å; I80-L108 HydrophobicContact CD1-CD1 4.3Å; I80-L108 HydrophobicContact CD1-CD2 4.38Å; I80-L108 HydrophobicContact CD1-CG 4.08Å; K106-L108 HydrophobicContact CG-CD2 3.96Å; L108-A110 PolarHBondContact O-N 2.99Å | ||
| 109 | E | 85.8 | Confident | 92 | Very high | 60 Ų | 60 | 51.5 Ų | 51.5 | 28% | 0.28 | 26% | 0.257 | S | S | . | . | trans | -72.1 | -4 | -170.6 | -70.3 | -67 | 131.4 | 0 | 0 | 114.8 | S107 P111 K140 | S107-E109 VanDerWaalsContact C-N 3.31Å; S107-E109 WeakPolarHBondContact CB-OE1 3.07Å; S107-E109 PolarHBondContact O-N 2.85Å; S107-E109 PolarHBondContact OG-OE1 2.96Å; E109-P111 WeakPolarHBondContact O-CD 3.42Å; E109-K140 IonicContact OE1-NZ 3.85Å; E109-K140 PolarHBondContact OE1-NZ 2.83Å; E109-K140 WeakPolarHBondContact OE2-CE 3.37Å; E109-K140 IonicContact OE2-NZ 3.32Å; E109-K140 PolarHBondContact OE2-NZ 2.98Å | ||
| 110 | A | 85.2 | Confident | 91.9 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -102.8 | 90.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L108 P178 M181 T185 V187 | L108-A110 PolarHBondContact O-N 2.99Å; A110-P178 HydrophobicContact CB-CG 3.92Å; A110-M181 HydrophobicContact CB-CG 4.4Å; A110-M181 HydrophobicContact CB-SD 3.95Å; A110-T185 HydrophobicContact CB-CG2 3.56Å; A110-V187 HydrophobicContact CB-CB 4.43Å; A110-V187 HydrophobicContact CB-CG1 3.72Å |
| 111 | P | 87.9 | Confident | 91.6 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 144.5 | -178.7 | 31.7 | -38.2 | 0 | 0 | 0 | 110.8 | E109 L131 C137 K140 L142 T189 | E109-P111 WeakPolarHBondContact O-CD 3.42Å; P111-L131 HydrophobicContact CB-CD1 4.49Å; P111-L131 HydrophobicContact CB-CD2 4.18Å; P111-C137 HydrophobicContact CB-CB 3.87Å; P111-K140 HydrophobicContact CG-CB 4.37Å; P111-L142 HydrophobicContact CG-CD2 3.77Å; P111-T189 WeakPolarHBondContact O-CB 3.25Å; P111-T189 WeakPolarHBondContact O-CG2 3.29Å |
| 112 | K | 88.3 | Confident | 91.1 | Very high | 65 Ų | 65 | 61.8 Ų | 61.8 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 129.3 | 172.9 | -175 | 164.1 | 159.1 | -153.7 | 0 | 110.6 | Y31 M76 L131 Q132 | Y31-K112 HydrophobicContact CD1-CB 3.57Å; Y31-K112 HydrophobicContact CD1-CD 3.79Å; Y31-K112 HydrophobicContact CD1-CG 3.75Å; Y31-K112 HydrophobicContact CD2-CD 3.89Å; Y31-K112 HydrophobicContact CE1-CB 4.2Å; Y31-K112 HydrophobicContact CE1-CD 4.25Å; Y31-K112 HydrophobicContact CE1-CG 4.01Å; Y31-K112 HydrophobicContact CE2-CD 4.36Å; Y31-K112 HydrophobicContact CG-CB 4.06Å; Y31-K112 HydrophobicContact CG-CD 3.59Å; Y31-K112 HydrophobicContact CG-CG 4.1Å; M76-K112 HydrophobicContact CE-CB 4.28Å; M76-K112 HydrophobicContact SD-CB 4.13Å; K112-L131 WeakPolarHBondContact O-CA 3.43Å; K112-Q132 HydrophobicContact CB-CB 4.18Å; K112-Q132 PolarHBondContact O-N 2.76Å |
| 113 | I | 90.6 | Very high | 90.5 | Very high | 14 Ų | 14 | 63.7 Ų | 63.7 | 7% | 0.072 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 118.5 | 168.7 | -66.7 | 177.3 | 0 | 0 | 0 | 107.6 | E115 L116 W129 Q130 L131 L142 F144 A176 T189 N190 | I113-E115 WeakPolarHBondContact CG2-O 3.42Å; I113-L116 HydrophobicContact CD1-CD1 4.24Å; I113-L116 HydrophobicContact CG2-CB 4.07Å; I113-W129 HydrophobicContact CD1-CB 4.31Å; I113-W129 HydrophobicContact CD1-CG 4.38Å; I113-W129 HydrophobicContact CG2-CB 4.02Å; I113-Q130 CarbonylContact C-O 3.58Å; I113-Q130 VanDerWaalsContact CA-O 3.31Å; I113-Q130 WeakPolarHBondContact CA-O 3.24Å; I113-L131 HydrophobicContact CG1-CD2 4.14Å; I113-L142 HydrophobicContact CD1-CD1 4.13Å; I113-L142 HydrophobicContact CG1-CD1 4.41Å; I113-F144 HydrophobicContact CD1-CZ 4.42Å; I113-A176 HydrophobicContact CD1-CB 3.68Å; I113-T189 WeakPolarHBondContact CB-O 3.49Å; I113-T189 WeakPolarHBondContact CD1-OG1 3.09Å; I113-T189 PolarHBondContact N-O 3.02Å; I113-N190 HydrophobicContact CB-CB 4.3Å; I113-N190 HydrophobicContact CD1-CB 4.42Å |
| 114 | S | 90.3 | Very high | 90.3 | Very high | 68 Ų | 68 | 61.1 Ų | 61.1 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -31.7 | 176.3 | 52.8 | 0 | 0 | 0 | 0 | 112 | Q130 | S114-Q130 PolarHBondContact N-O 2.76Å; S114-Q130 WeakPolarHBondContact OG-CB 2.98Å; S114-Q130 PolarHBondContact OG-O 2.8Å |
| 115 | E | 92.4 | Very high | 90.2 | Very high | 70 Ų | 70 | 61 Ų | 61 | 33% | 0.327 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 138.2 | 179.9 | -171.7 | 177.8 | -132.2 | 0 | 0 | 110.2 | I113 K117 W129 Q130 | I113-E115 WeakPolarHBondContact CG2-O 3.42Å; E115-K117 HydrophobicContact CG-CD 4.44Å; E115-K117 HydrophobicContact CG-CG 4.3Å; E115-K117 WeakPolarHBondContact OE1-CE 3.2Å; E115-K117 IonicContact OE1-NZ 3.25Å; E115-K117 PolarHBondContact OE1-NZ 2.8Å; E115-K117 WeakPolarHBondContact OE2-CE 3.01Å; E115-K117 IonicContact OE2-NZ 3Å; E115-K117 PolarHBondContact OE2-NZ 3.43Å; E115-W129 CarbonylContact O-C 3.6Å; E115-W129 WeakPolarHBondContact O-CA 3.44Å; E115-W129 WeakPolarHBondContact O-CB 3.47Å; E115-Q130 HydrophobicContact CB-CB 4.25Å; E115-Q130 HydrophobicContact CB-CG 4.47Å; E115-Q130 PolarHBondContact O-N 2.96Å |
| 116 | L | 93.3 | Very high | 90.3 | Very high | 19 Ų | 19 | 53 Ų | 53 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 130.1 | 172.8 | -165 | 151.2 | 0 | 0 | 0 | 108.6 | I113 I127 N128 F144 V174 F193 | I113-L116 HydrophobicContact CD1-CD1 4.24Å; I113-L116 HydrophobicContact CG2-CB 4.07Å; L116-I127 HydrophobicContact CD1-CG2 4.31Å; L116-I127 HydrophobicContact CD2-CG2 3.67Å; L116-I127 HydrophobicContact CG-CG2 3.91Å; L116-N128 WeakPolarHBondContact CA-O 3.26Å; L116-F144 HydrophobicContact CD1-CE1 4Å; L116-V174 HydrophobicContact CD1-CG1 4.4Å; L116-F193 HydrophobicContact CD2-CB 3.94Å; L116-F193 HydrophobicContact CD2-CD1 3.09Å; L116-F193 HydrophobicContact CD2-CD2 4.25Å; L116-F193 HydrophobicContact CD2-CE1 3.46Å; L116-F193 VanDerWaalsContact CD2-CE1 3.46Å; L116-F193 HydrophobicContact CD2-CG 3.51Å; L116-F193 HydrophobicContact CD2-CZ 4.22Å; L116-F193 HydrophobicContact CG-CD1 4.49Å; L116-F193 WeakPolarHBondContact O-CE2 3.26Å |
| 117 | K | 94.8 | Very high | 90.4 | Very high | 109 Ų | 109 | 51.9 Ų | 51.9 | 47% | 0.474 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 147.5 | -177.7 | -77 | 171.3 | 171 | 149.5 | 0 | 109.6 | E115 I127 N128 | E115-K117 HydrophobicContact CG-CD 4.44Å; E115-K117 HydrophobicContact CG-CG 4.3Å; E115-K117 WeakPolarHBondContact OE1-CE 3.2Å; E115-K117 IonicContact OE1-NZ 3.25Å; E115-K117 PolarHBondContact OE1-NZ 2.8Å; E115-K117 WeakPolarHBondContact OE2-CE 3.01Å; E115-K117 IonicContact OE2-NZ 3Å; E115-K117 PolarHBondContact OE2-NZ 3.43Å; K117-I127 CarbonylContact O-C 3.43Å; K117-I127 WeakPolarHBondContact O-CA 3.31Å; K117-N128 PolarHBondContact N-O 2.67Å; K117-N128 PolarHBondContact O-N 2.72Å |
| 118 | A | 94.6 | Very high | 90.7 | Very high | 34 Ų | 34 | 53.2 Ų | 53.2 | 28% | 0.281 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 143.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I126 I127 F193 I195 | A118-I126 CarbonylContact C-O 3.58Å; A118-I126 VanDerWaalsContact CA-O 3.25Å; A118-I126 WeakPolarHBondContact CA-O 3.47Å; A118-I127 HydrophobicContact CB-CG1 4.37Å; A118-F193 HydrophobicContact CB-CE1 3.99Å; A118-I195 HydrophobicContact CB-CB 4.34Å; A118-I195 HydrophobicContact CB-CG2 3.44Å; A118-I195 VanDerWaalsContact CB-CG2 3.44Å |
| 119 | R | 94.3 | Very high | 91 | Very high | 95 Ų | 95 | 53.4 Ų | 53.4 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 160.3 | 172.4 | 65 | -168.8 | -177 | 104.8 | 4.2 | 109.2 | E121 I126 N128 E160 | R119-E121 IonicContact CZ-OE1 4Å; R119-E121 IonicContact NH1-OE1 3.7Å; R119-E121 PolarHBondContact NH1-OE1 2.93Å; R119-E121 IonicContact NH2-OE1 3.05Å; R119-I126 HydrophobicContact CG-CB 3.76Å; R119-I126 HydrophobicContact CG-CD1 4.45Å; R119-I126 HydrophobicContact CG-CG2 4.22Å; R119-I126 PolarHBondContact N-O 2.84Å; R119-I126 PolarHBondContact O-N 3.24Å; R119-N128 PolarHBondContact NE-OD1 2.83Å; R119-E160 IonicContact CZ-OE2 2.62Å; R119-E160 IonicContact NH2-OE2 3.49Å; R119-E160 PolarHBondContact NH2-OE2 2.66Å |
| 120 | Y | 91.6 | Very high | 91.3 | Very high | 80 Ų | 80 | 55.4 Ų | 55.4 | 31% | 0.314 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.9 | -176.3 | -62.2 | -84.2 | 0 | 0 | 0 | 109.9 | E124 T125 R196 V197 P198 | Y120-E124 WeakPolarHBondContact CA-O 3.48Å; Y120-T125 HydrophobicContact CD1-CG2 4.16Å; Y120-T125 HydrophobicContact CE1-CG2 3.6Å; Y120-T125 WeakPolarHBondContact CE1-OG1 3.3Å; Y120-R196 VanDerWaalsContact CZ-O 3.27Å; Y120-R196 PolarHBondContact OH-O 3.19Å; Y120-V197 HydrophobicContact CE1-CB 4.25Å; Y120-V197 HydrophobicContact CE1-CG1 4.09Å; Y120-V197 HydrophobicContact CE1-CG2 4.3Å; Y120-V197 PolarHBondContact OH-N 3.08Å; Y120-P198 HydrophobicContact CD1-CG 3.85Å; Y120-P198 HydrophobicContact CD2-CG 3.78Å; Y120-P198 HydrophobicContact CE1-CG 4.31Å; Y120-P198 HydrophobicContact CE2-CG 4.27Å; Y120-P198 VanDerWaalsContact CG-CD 3.45Å; Y120-P198 HydrophobicContact CG-CG 3.56Å; Y120-P198 VanDerWaalsContact CZ-CD 3.45Å |
| 121 | E | 89.3 | Confident | 91.6 | Very high | 75 Ų | 75 | 56 Ų | 56 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 112 | 175.3 | -75.3 | -171.7 | 170.9 | 0 | 0 | 109.6 | R119 T123 E124 I126 R162 | R119-E121 IonicContact CZ-OE1 4Å; R119-E121 IonicContact NH1-OE1 3.7Å; R119-E121 PolarHBondContact NH1-OE1 2.93Å; R119-E121 IonicContact NH2-OE1 3.05Å; E121-T123 PolarHBondContact O-N 3.32Å; E121-E124 PolarHBondContact N-O 3.02Å; E121-E124 PolarHBondContact O-N 2.54Å; E121-I126 HydrophobicContact CB-CD1 3.88Å; E121-I126 HydrophobicContact CG-CD1 3.59Å; E121-I126 WeakPolarHBondContact OE2-CD1 3.2Å; E121-R162 IonicContact OE2-CZ 3.6Å; E121-R162 IonicContact OE2-NH1 2.93Å; E121-R162 PolarHBondContact OE2-NH1 3.01Å; E121-R162 IonicContact OE2-NH2 3.68Å |
| 122 | K | 83.6 | Confident | 91.7 | Very high | 211 Ų | 211 | 59.7 Ų | 59.7 | 92% | 0.917 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | -88.1 | 177.2 | -59.5 | 175.7 | -179.9 | 175.5 | 0 | 113.3 | ||
| 123 | T | 84.1 | Confident | 91.8 | Very high | 107 Ų | 107 | 58.2 Ų | 58.2 | 66% | 0.656 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119 | 2.7 | -175.8 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | E121 P164 | E121-T123 PolarHBondContact O-N 3.32Å; T123-P164 CarbonylContact O-C 3.49Å |
| 124 | E | 91.9 | Very high | 91.8 | Very high | 59 Ų | 59 | 61.8 Ų | 61.8 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 141.9 | -171.6 | -47.2 | -169.2 | 140.9 | 0 | 0 | 111.5 | Y120 E121 R162 P164 | Y120-E124 WeakPolarHBondContact CA-O 3.48Å; E121-E124 PolarHBondContact N-O 3.02Å; E121-E124 PolarHBondContact O-N 2.54Å; E124-R162 IonicContact OE2-NH1 3.97Å; E124-P164 HydrophobicContact CG-CB 3.98Å |
| 125 | T | 93.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 64.2 Ų | 64.2 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 127.6 | 163.1 | -54.4 | 0 | 0 | 0 | 0 | 108.2 | Y120 I127 I163 L166 I195 | Y120-T125 HydrophobicContact CD1-CG2 4.16Å; Y120-T125 HydrophobicContact CE1-CG2 3.6Å; Y120-T125 WeakPolarHBondContact CE1-OG1 3.3Å; T125-I127 HydrophobicContact CG2-CG1 4.35Å; T125-I163 PolarHBondContact N-O 2.77Å; T125-I163 PolarHBondContact O-N 2.83Å; T125-L166 HydrophobicContact CG2-CD1 4Å; T125-I195 HydrophobicContact CG2-CD1 3.8Å |
| 126 | I | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125.4 | 177.6 | -55 | -179.4 | 0 | 0 | 0 | 107.5 | A118 R119 E121 E160 I161 R162 | A118-I126 CarbonylContact C-O 3.58Å; A118-I126 VanDerWaalsContact CA-O 3.25Å; A118-I126 WeakPolarHBondContact CA-O 3.47Å; R119-I126 HydrophobicContact CG-CB 3.76Å; R119-I126 HydrophobicContact CG-CD1 4.45Å; R119-I126 HydrophobicContact CG-CG2 4.22Å; R119-I126 PolarHBondContact N-O 2.84Å; R119-I126 PolarHBondContact O-N 3.24Å; E121-I126 HydrophobicContact CB-CD1 3.88Å; E121-I126 HydrophobicContact CG-CD1 3.59Å; E121-I126 WeakPolarHBondContact OE2-CD1 3.2Å; I126-E160 HydrophobicContact CG2-CG 3.49Å; I126-E160 VanDerWaalsContact CG2-CG 3.49Å; I126-E160 VanDerWaalsContact CG2-OE2 3.25Å; I126-E160 WeakPolarHBondContact CG2-OE2 3.43Å; I126-I161 WeakPolarHBondContact CA-O 3.41Å; I126-R162 HydrophobicContact CG1-CG 4.22Å |
| 127 | I | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.5 | 174.3 | -59.6 | 177.5 | 0 | 0 | 0 | 107.9 | L116 K117 A118 T125 F144 L146 E160 I161 I163 V174 I195 | L116-I127 HydrophobicContact CD1-CG2 4.31Å; L116-I127 HydrophobicContact CD2-CG2 3.67Å; L116-I127 HydrophobicContact CG-CG2 3.91Å; K117-I127 CarbonylContact O-C 3.43Å; K117-I127 WeakPolarHBondContact O-CA 3.31Å; A118-I127 HydrophobicContact CB-CG1 4.37Å; T125-I127 HydrophobicContact CG2-CG1 4.35Å; I127-F144 HydrophobicContact CG2-CE1 4.31Å; I127-L146 HydrophobicContact CD1-CD2 3.86Å; I127-E160 CarbonylContact O-C 3.58Å; I127-E160 WeakPolarHBondContact O-CA 3.43Å; I127-I161 HydrophobicContact CB-CD1 4.22Å; I127-I161 HydrophobicContact CB-CG1 3.72Å; I127-I161 HydrophobicContact CD1-CD1 4.3Å; I127-I161 HydrophobicContact CG1-CG1 4.46Å; I127-I161 HydrophobicContact CG2-CG1 4.49Å; I127-I161 PolarHBondContact N-O 3.36Å; I127-I161 PolarHBondContact O-N 2.97Å; I127-I163 HydrophobicContact CD1-CD1 3.82Å; I127-I163 HydrophobicContact CG1-CD1 4.44Å; I127-V174 HydrophobicContact CD1-CG1 4.02Å; I127-V174 HydrophobicContact CD1-CG2 3.82Å; I127-I195 HydrophobicContact CD1-CD1 4.3Å |
| 128 | N | 94.9 | Very high | 91.6 | Very high | 42 Ų | 42 | 61.5 Ų | 61.5 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 146.5 | 175.7 | -63 | 105.3 | 0 | 0 | 0 | 109.6 | L116 K117 R119 Q159 E160 | L116-N128 WeakPolarHBondContact CA-O 3.26Å; K117-N128 PolarHBondContact N-O 2.67Å; K117-N128 PolarHBondContact O-N 2.72Å; R119-N128 PolarHBondContact NE-OD1 2.83Å; N128-Q159 VanDerWaalsContact CA-O 3.24Å; N128-Q159 WeakPolarHBondContact CA-O 3.34Å; N128-Q159 PolarHBondContact ND2-O 2.84Å; N128-E160 VanDerWaalsContact ND2-CB 3.34Å; N128-E160 WeakPolarHBondContact ND2-CB 3.32Å; N128-E160 VanDerWaalsContact ND2-CG 3.29Å; N128-E160 WeakPolarHBondContact ND2-CG 3.36Å; N128-E160 PolarHBondContact ND2-OE2 2.87Å |
| 129 | W | 94.2 | Very high | 91.4 | Very high | 7 Ų | 7 | 64.9 Ų | 64.9 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 158.3 | 176.6 | 65.9 | 92.8 | 0 | 0 | 0 | 112.8 | I113 E115 F144 A156 G158 Q159 E160 I161 | I113-W129 HydrophobicContact CD1-CB 4.31Å; I113-W129 HydrophobicContact CD1-CG 4.38Å; I113-W129 HydrophobicContact CG2-CB 4.02Å; E115-W129 CarbonylContact O-C 3.6Å; E115-W129 WeakPolarHBondContact O-CA 3.44Å; E115-W129 WeakPolarHBondContact O-CB 3.47Å; W129-F144 HydrophobicContact CD2-CE2 4.32Å; W129-F144 AromaticContact CD2-CZ 3.66Å; W129-F144 HydrophobicContact CD2-CZ 3.66Å; W129-F144 HydrophobicContact CE3-CE1 4.18Å; W129-F144 HydrophobicContact CE3-CE2 4.04Å; W129-F144 AromaticContact CE3-CZ 3.42Å; W129-F144 HydrophobicContact CE3-CZ 3.42Å; W129-F144 VanDerWaalsContact CE3-CZ 3.42Å; W129-F144 HydrophobicContact CG-CZ 4.32Å; W129-F144 AromaticContact CH2-CE2 3.89Å; W129-F144 HydrophobicContact CH2-CE2 3.89Å; W129-F144 HydrophobicContact CH2-CZ 4.13Å; W129-F144 HydrophobicContact CZ2-CE2 4.13Å; W129-F144 HydrophobicContact CZ2-CZ 4.3Å; W129-F144 AromaticContact CZ3-CE2 3.81Å; W129-F144 HydrophobicContact CZ3-CE2 3.81Å; W129-F144 AromaticContact CZ3-CZ 3.66Å; W129-F144 HydrophobicContact CZ3-CZ 3.66Å; W129-A156 HydrophobicContact CH2-CB 3.58Å; W129-A156 HydrophobicContact CZ2-CB 4.11Å; W129-A156 HydrophobicContact CZ3-CB 4.43Å; W129-G158 VanDerWaalsContact CZ2-C 3.4Å; W129-G158 WeakPolarHBondContact CZ2-O 3.11Å; W129-G158 PolarHBondContact NE1-O 2.91Å; W129-G158 VanDerWaalsContact NE1-O 3.07Å; W129-Q159 PolarHBondContact N-O 3.04Å; W129-E160 VanDerWaalsContact CH2-N 3.28Å; W129-E160 VanDerWaalsContact CZ3-CA 3.49Å; W129-E160 VanDerWaalsContact CZ3-N 3.32Å; W129-I161 HydrophobicContact CH2-CG2 3.92Å; W129-I161 HydrophobicContact CZ3-CB 4.37Å; W129-I161 HydrophobicContact CZ3-CG1 4.23Å; W129-I161 HydrophobicContact CZ3-CG2 3.89Å |
| 130 | Q | 93 | Very high | 91.2 | Very high | 101 Ų | 101 | 63.1 Ų | 63.1 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 140.2 | 169.9 | -63.6 | -172.5 | -8 | 0 | 0 | 109.7 | I113 S114 E115 | I113-Q130 CarbonylContact C-O 3.58Å; I113-Q130 VanDerWaalsContact CA-O 3.31Å; I113-Q130 WeakPolarHBondContact CA-O 3.24Å; S114-Q130 PolarHBondContact N-O 2.76Å; S114-Q130 WeakPolarHBondContact OG-CB 2.98Å; S114-Q130 PolarHBondContact OG-O 2.8Å; E115-Q130 HydrophobicContact CB-CB 4.25Å; E115-Q130 HydrophobicContact CB-CG 4.47Å; E115-Q130 PolarHBondContact O-N 2.96Å |
| 131 | L | 91.4 | Very high | 91.1 | Very high | 14 Ų | 14 | 62.6 Ų | 62.6 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 138.6 | 174.8 | -57.8 | -179.3 | 0 | 0 | 0 | 109 | P111 K112 I113 D133 Y134 C137 L142 | P111-L131 HydrophobicContact CB-CD1 4.49Å; P111-L131 HydrophobicContact CB-CD2 4.18Å; K112-L131 WeakPolarHBondContact O-CA 3.43Å; I113-L131 HydrophobicContact CG1-CD2 4.14Å; L131-D133 VanDerWaalsContact C-N 3.29Å; L131-D133 PolarHBondContact O-N 2.97Å; L131-Y134 PolarHBondContact O-N 2.98Å; L131-C137 HydrophobicContact CD1-CB 3.71Å; L131-L142 HydrophobicContact CD2-CD1 4.32Å |
| 132 | Q | 90.1 | Very high | 91.2 | Very high | 79 Ų | 79 | 59.1 Ų | 59.1 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -38.2 | 178 | -180 | -178 | -50.1 | 0 | 0 | 112 | D32 M76 K112 | D32-Q132 PolarHBondContact OD2-NE2 3.38Å; M76-Q132 HydrophobicContact CE-CB 3.92Å; M76-Q132 HydrophobicContact CE-CG 4.19Å; K112-Q132 HydrophobicContact CB-CB 4.18Å; K112-Q132 PolarHBondContact O-N 2.76Å |
| 133 | D | 89.2 | Confident | 91.7 | Very high | 34 Ų | 34 | 51.2 Ų | 51.2 | 18% | 0.182 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 66.1 | 174.6 | -169.3 | -6.5 | 0 | 0 | 0 | 110.1 | M76 L131 E135 N136 C137 | M76-D133 HydrophobicContact CB-CB 4.19Å; M76-D133 HydrophobicContact CE-CB 3.53Å; M76-D133 PolarHBondContact N-OD2 3.36Å; L131-D133 VanDerWaalsContact C-N 3.29Å; L131-D133 PolarHBondContact O-N 2.97Å; D133-E135 VanDerWaalsContact C-N 3.33Å; D133-E135 PolarHBondContact O-N 3Å; D133-N136 PolarHBondContact O-N 2.81Å; D133-N136 PolarHBondContact OD1-ND2 2.83Å; D133-N136 PolarHBondContact OD2-ND2 3.32Å; D133-C137 WeakPolarHBondContact O-CB 3.13Å; D133-C137 PolarHBondContact O-N 3.37Å |
| 134 | Y | 91.2 | Very high | 92.1 | Very high | 89 Ų | 89 | 46.1 Ų | 46.1 | 35% | 0.349 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.6 | -44.2 | -173.9 | 175.1 | -102.6 | 0 | 0 | 0 | 113 | L131 N136 C137 K138 Q159 | L131-Y134 PolarHBondContact O-N 2.98Å; Y134-N136 VanDerWaalsContact C-N 3.31Å; Y134-N136 PolarHBondContact O-N 2.97Å; Y134-C137 PolarHBondContact O-N 3.22Å; Y134-K138 HydrophobicContact CD2-CB 4.15Å; Y134-K138 HydrophobicContact CE1-CB 4.39Å; Y134-K138 HydrophobicContact CE1-CD 4.38Å; Y134-K138 HydrophobicContact CE2-CB 3.75Å; Y134-K138 VanDerWaalsContact O-CB 3.3Å; Y134-K138 WeakPolarHBondContact O-CB 3.37Å; Y134-K138 PolarHBondContact O-N 2.61Å; Y134-Q159 HydrophobicContact CE2-CG 4.05Å; Y134-Q159 VanDerWaalsContact CE2-NE2 3.33Å |
| 135 | E | 92.4 | Very high | 92.2 | Very high | 119 Ų | 119 | 45.4 Ų | 45.4 | 56% | 0.556 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -62.9 | -38 | -173.8 | -72.7 | -52.9 | 141.9 | 0 | 0 | 113.1 | D133 K138 | D133-E135 VanDerWaalsContact C-N 3.33Å; D133-E135 PolarHBondContact O-N 3Å; E135-K138 IonicContact OE2-NZ 3.69Å; E135-K138 PolarHBondContact OE2-NZ 2.75Å |
| 136 | N | 92.2 | Very high | 92.3 | Very high | 61 Ų | 61 | 45.2 Ų | 45.2 | 33% | 0.326 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -83.5 | -29.7 | 176.6 | -61.7 | -44 | 0 | 0 | 0 | 112.4 | M76 C77 K78 D133 Y134 | M76-N136 WeakPolarHBondContact O-CB 3.37Å; C77-N136 HydrophobicContact CB-CB 4.38Å; C77-N136 VanDerWaalsContact CB-O 3.31Å; C77-N136 WeakPolarHBondContact CB-O 3.5Å; K78-N136 HydrophobicContact CB-CB 4.45Å; D133-N136 PolarHBondContact O-N 2.81Å; D133-N136 PolarHBondContact OD1-ND2 2.83Å; D133-N136 PolarHBondContact OD2-ND2 3.32Å; Y134-N136 VanDerWaalsContact C-N 3.31Å; Y134-N136 PolarHBondContact O-N 2.97Å |
| 137 | C | 91.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -102.8 | -3.6 | -170.9 | -64.7 | 0 | 0 | 0 | 0 | 116.3 | C77 P111 L131 D133 Y134 D139 K140 | C77-C137 HydrophobicContact CB-CB 3.84Å; C77-C137 WeakPolarHBondContact CB-SG 2.96Å; C77-C137 VanDerWaalsContact SG-CA 3.5Å; C77-C137 WeakPolarHBondContact SG-CB 3.23Å; C77-C137 CovalentContact SG-SG 2.04Å; C77-C137 PolarHBondContact SG-SG 2.95Å; P111-C137 HydrophobicContact CB-CB 3.87Å; L131-C137 HydrophobicContact CD1-CB 3.71Å; D133-C137 WeakPolarHBondContact O-CB 3.13Å; D133-C137 PolarHBondContact O-N 3.37Å; Y134-C137 PolarHBondContact O-N 3.22Å; C137-D139 PolarHBondContact O-N 2.98Å; C137-K140 HydrophobicContact CB-CG 4.43Å; C137-K140 WeakPolarHBondContact O-CB 3.4Å; C137-K140 PolarHBondContact O-N 2.7Å |
| 138 | K | 91.3 | Very high | 92.4 | Very high | 80 Ų | 80 | 51.3 Ų | 51.3 | 35% | 0.348 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -25.3 | -175.6 | 61.1 | -169.9 | 170.3 | -160.6 | 0 | 115.2 | Y134 E135 | Y134-K138 HydrophobicContact CD2-CB 4.15Å; Y134-K138 HydrophobicContact CE1-CB 4.39Å; Y134-K138 HydrophobicContact CE1-CD 4.38Å; Y134-K138 HydrophobicContact CE2-CB 3.75Å; Y134-K138 VanDerWaalsContact O-CB 3.3Å; Y134-K138 WeakPolarHBondContact O-CB 3.37Å; Y134-K138 PolarHBondContact O-N 2.61Å; E135-K138 IonicContact OE2-NZ 3.69Å; E135-K138 PolarHBondContact OE2-NZ 2.75Å |
| 139 | D | 89.5 | Confident | 92.4 | Very high | 106 Ų | 106 | 53.4 Ų | 53.4 | 57% | 0.567 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -5 | -179.5 | -76.3 | -56.9 | 0 | 0 | 0 | 114.9 | C137 K157 | C137-D139 PolarHBondContact O-N 2.98Å; D139-K157 VanDerWaalsContact O-CE 3.32Å; D139-K157 WeakPolarHBondContact O-CE 3.33Å; D139-K157 VanDerWaalsContact OD1-CE 3.26Å; D139-K157 WeakPolarHBondContact OD1-CE 2.84Å; D139-K157 IonicContact OD1-NZ 2.74Å; D139-K157 PolarHBondContact OD1-NZ 2.78Å |
| 140 | K | 89.4 | Confident | 92.5 | Very high | 58 Ų | 58 | 57 Ų | 57 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | trans | -73 | 143 | -178.9 | -63.3 | -56.3 | -178.3 | -171.1 | 0 | 112.1 | C77 E109 P111 C137 | C77-K140 HydrophobicContact CB-CG 4.26Å; E109-K140 IonicContact OE1-NZ 3.85Å; E109-K140 PolarHBondContact OE1-NZ 2.83Å; E109-K140 WeakPolarHBondContact OE2-CE 3.37Å; E109-K140 IonicContact OE2-NZ 3.32Å; E109-K140 PolarHBondContact OE2-NZ 2.98Å; P111-K140 HydrophobicContact CG-CB 4.37Å; C137-K140 HydrophobicContact CB-CG 4.43Å; C137-K140 WeakPolarHBondContact O-CB 3.4Å; C137-K140 PolarHBondContact O-N 2.7Å | ||
| 141 | E | 90.8 | Very high | 92.5 | Very high | 68 Ų | 68 | 56.4 Ų | 56.4 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 128.3 | 174.4 | -161.4 | -174.4 | 155.9 | 0 | 0 | 109.4 | M155 A156 K179 | E141-M155 HydrophobicContact CG-CE 3.82Å; E141-M155 WeakPolarHBondContact OE1-CB 3.49Å; E141-M155 WeakPolarHBondContact OE1-CE 3.47Å; E141-A156 CarbonylContact C-O 3.53Å; E141-A156 VanDerWaalsContact CA-O 3.31Å; E141-A156 WeakPolarHBondContact CA-O 3.44Å; E141-A156 WeakPolarHBondContact CG-O 3.37Å; E141-K179 HydrophobicContact CB-CD 4.37Å; E141-K179 HydrophobicContact CG-CD 4.45Å; E141-K179 PolarHBondContact O-N 3.09Å; E141-K179 IonicContact OE1-NZ 2.66Å; E141-K179 PolarHBondContact OE1-NZ 3.2Å; E141-K179 VanDerWaalsContact OE2-CD 3.31Å; E141-K179 WeakPolarHBondContact OE2-CD 3.23Å; E141-K179 IonicContact OE2-NZ 2.54Å; E141-K179 PolarHBondContact OE2-NZ 3.23Å |
| 142 | L | 91.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 142.7 | 177.6 | -62.6 | -177.8 | 0 | 0 | 0 | 110.3 | P111 I113 L131 F144 M155 A156 F177 T189 | P111-L142 HydrophobicContact CG-CD2 3.77Å; I113-L142 HydrophobicContact CD1-CD1 4.13Å; I113-L142 HydrophobicContact CG1-CD1 4.41Å; L131-L142 HydrophobicContact CD2-CD1 4.32Å; L142-F144 HydrophobicContact CB-CD2 4.25Å; L142-F144 HydrophobicContact CB-CE2 3.74Å; L142-F144 HydrophobicContact CD1-CE2 4.25Å; L142-F144 HydrophobicContact CD1-CZ 4.3Å; L142-M155 CarbonylContact O-C 3.56Å; L142-M155 WeakPolarHBondContact O-CA 3.37Å; L142-A156 PolarHBondContact N-O 2.8Å; L142-A156 PolarHBondContact O-N 2.79Å; L142-F177 CarbonylContact C-O 3.6Å; L142-F177 WeakPolarHBondContact CA-O 3.47Å; L142-T189 HydrophobicContact CD2-CG2 4.1Å |
| 143 | Q | 92.3 | Very high | 92.9 | Very high | 45 Ų | 45 | 57.8 Ų | 57.8 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 116.1 | 170.4 | -172.8 | 172.5 | 39.8 | 0 | 0 | 109 | F145 M153 M155 A176 F177 | Q143-F145 HydrophobicContact CB-CE2 4.38Å; Q143-F145 VanDerWaalsContact CD-CZ 3.46Å; Q143-F145 HydrophobicContact CG-CD2 4.12Å; Q143-F145 HydrophobicContact CG-CE2 3.51Å; Q143-F145 HydrophobicContact CG-CZ 3.97Å; Q143-M153 HydrophobicContact CG-CG 4Å; Q143-M153 PolarHBondContact NE2-SD 2.8Å; Q143-M155 HydrophobicContact CB-CE 4Å; Q143-M155 HydrophobicContact CB-SD 3.54Å; Q143-M155 VanDerWaalsContact CB-SD 3.54Å; Q143-M155 HydrophobicContact CG-SD 3.51Å; Q143-M155 VanDerWaalsContact CG-SD 3.51Å; Q143-A176 CarbonylContact O-C 3.56Å; Q143-A176 WeakPolarHBondContact O-CA 3.35Å; Q143-F177 PolarHBondContact N-O 3.4Å; Q143-F177 PolarHBondContact O-N 3.25Å |
| 144 | F | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 128.6 | 174.6 | -72.8 | -100.7 | 0 | 0 | 0 | 109.9 | I113 L116 I127 W129 L142 L146 M153 Q154 A156 I161 V174 Y175 A176 | I113-F144 HydrophobicContact CD1-CZ 4.42Å; L116-F144 HydrophobicContact CD1-CE1 4Å; I127-F144 HydrophobicContact CG2-CE1 4.31Å; W129-F144 HydrophobicContact CD2-CE2 4.32Å; W129-F144 AromaticContact CD2-CZ 3.66Å; W129-F144 HydrophobicContact CD2-CZ 3.66Å; W129-F144 HydrophobicContact CE3-CE1 4.18Å; W129-F144 HydrophobicContact CE3-CE2 4.04Å; W129-F144 AromaticContact CE3-CZ 3.42Å; W129-F144 HydrophobicContact CE3-CZ 3.42Å; W129-F144 VanDerWaalsContact CE3-CZ 3.42Å; W129-F144 HydrophobicContact CG-CZ 4.32Å; W129-F144 AromaticContact CH2-CE2 3.89Å; W129-F144 HydrophobicContact CH2-CE2 3.89Å; W129-F144 HydrophobicContact CH2-CZ 4.13Å; W129-F144 HydrophobicContact CZ2-CE2 4.13Å; W129-F144 HydrophobicContact CZ2-CZ 4.3Å; W129-F144 AromaticContact CZ3-CE2 3.81Å; W129-F144 HydrophobicContact CZ3-CE2 3.81Å; W129-F144 AromaticContact CZ3-CZ 3.66Å; W129-F144 HydrophobicContact CZ3-CZ 3.66Å; L142-F144 HydrophobicContact CB-CD2 4.25Å; L142-F144 HydrophobicContact CB-CE2 3.74Å; L142-F144 HydrophobicContact CD1-CE2 4.25Å; L142-F144 HydrophobicContact CD1-CZ 4.3Å; F144-L146 HydrophobicContact CB-CD1 4.2Å; F144-M153 CarbonylContact O-C 3.58Å; F144-M153 VanDerWaalsContact O-CA 3.3Å; F144-M153 WeakPolarHBondContact O-CA 3.06Å; F144-Q154 PolarHBondContact N-O 2.97Å; F144-Q154 PolarHBondContact O-N 2.88Å; F144-A156 HydrophobicContact CD2-CB 3.94Å; F144-A156 HydrophobicContact CE2-CB 3.83Å; F144-I161 HydrophobicContact CB-CD1 3.74Å; F144-I161 HydrophobicContact CD1-CD1 3.87Å; F144-I161 HydrophobicContact CD2-CD1 3.87Å; F144-I161 HydrophobicContact CD2-CG2 4.43Å; F144-I161 HydrophobicContact CE1-CD1 4.46Å; F144-I161 HydrophobicContact CE2-CD1 4.46Å; F144-I161 HydrophobicContact CG-CD1 3.55Å; F144-V174 HydrophobicContact CD1-CG1 3.84Å; F144-V174 HydrophobicContact CE1-CG1 4.49Å; F144-Y175 CarbonylContact C-O 3.55Å; F144-Y175 WeakPolarHBondContact CA-O 3.32Å; F144-A176 HydrophobicContact CD1-CB 3.79Å; F144-A176 HydrophobicContact CD2-CB 4.47Å; F144-A176 HydrophobicContact CE1-CB 3.63Å; F144-A176 HydrophobicContact CE2-CB 4.32Å; F144-A176 HydrophobicContact CG-CB 4.22Å; F144-A176 HydrophobicContact CZ-CB 3.89Å |
| 145 | F | 94.3 | Very high | 93.1 | Very high | 43 Ų | 43 | 57.6 Ų | 57.6 | 19% | 0.189 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.9 | 167.4 | -69.8 | -91 | 0 | 0 | 0 | 109.3 | Q143 F147 T151 V152 M153 V174 Y175 F177 | Q143-F145 HydrophobicContact CB-CE2 4.38Å; Q143-F145 VanDerWaalsContact CD-CZ 3.46Å; Q143-F145 HydrophobicContact CG-CD2 4.12Å; Q143-F145 HydrophobicContact CG-CE2 3.51Å; Q143-F145 HydrophobicContact CG-CZ 3.97Å; F145-F147 HydrophobicContact CB-CD2 4.43Å; F145-F147 HydrophobicContact CB-CE2 3.69Å; F145-F147 HydrophobicContact CB-CZ 3.87Å; F145-F147 HydrophobicContact CD1-CZ 4.33Å; F145-F147 HydrophobicContact CG-CZ 4.33Å; F145-T151 HydrophobicContact CD1-CG2 4.43Å; F145-V152 CarbonylContact C-O 3.56Å; F145-V152 WeakPolarHBondContact CA-O 3.48Å; F145-M153 HydrophobicContact CD1-CB 4.2Å; F145-M153 HydrophobicContact CD1-CG 4.27Å; F145-M153 HydrophobicContact CE1-CB 4.06Å; F145-M153 HydrophobicContact CE1-CG 3.8Å; F145-M153 HydrophobicContact CE1-SD 4.13Å; F145-M153 HydrophobicContact CZ-CG 4.05Å; F145-M153 HydrophobicContact CZ-SD 4.23Å; F145-V174 CarbonylContact O-C 3.53Å; F145-V174 WeakPolarHBondContact O-CA 3.15Å; F145-Y175 PolarHBondContact N-O 3.13Å; F145-Y175 PolarHBondContact O-N 2.6Å; F145-F177 AromaticContact CD2-CD2 3.53Å; F145-F177 HydrophobicContact CD2-CD2 3.53Å; F145-F177 AromaticContact CD2-CE2 3.54Å; F145-F177 HydrophobicContact CD2-CE2 3.54Å; F145-F177 AromaticContact CE2-CD2 3.89Å; F145-F177 HydrophobicContact CE2-CD2 3.89Å; F145-F177 HydrophobicContact CE2-CE2 4.14Å; F145-F177 HydrophobicContact CG-CE2 4.38Å |
| 146 | L | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 115.6 | 175.9 | -62.6 | 84.7 | 0 | 0 | 0 | 108.1 | I127 F144 T151 V152 I163 L166 Y172 T173 V174 I195 | I127-L146 HydrophobicContact CD1-CD2 3.86Å; F144-L146 HydrophobicContact CB-CD1 4.2Å; L146-T151 WeakPolarHBondContact O-CA 3.47Å; L146-V152 HydrophobicContact CB-CB 4.2Å; L146-V152 HydrophobicContact CD1-CB 4.34Å; L146-V152 HydrophobicContact CD1-CG1 4.38Å; L146-V152 PolarHBondContact N-O 2.81Å; L146-V152 PolarHBondContact O-N 2.94Å; L146-I163 HydrophobicContact CD1-CD1 3.71Å; L146-I163 HydrophobicContact CD2-CD1 3.33Å; L146-I163 HydrophobicContact CG-CD1 4.19Å; L146-L166 HydrophobicContact CD2-CD1 3.9Å; L146-L166 HydrophobicContact CD2-CD2 4.29Å; L146-Y172 HydrophobicContact CB-CD1 4.15Å; L146-T173 WeakPolarHBondContact CA-O 3.31Å; L146-V174 HydrophobicContact CD2-CG2 4.04Å; L146-V174 HydrophobicContact CG-CG1 4.36Å; L146-V174 HydrophobicContact CG-CG2 4.03Å; L146-I195 HydrophobicContact CD2-CD1 3.98Å |
| 147 | F | 95.8 | Very high | 92.7 | Very high | 90 Ų | 90 | 55.5 Ų | 55.5 | 40% | 0.395 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 117.4 | -179.2 | -61.8 | -77.4 | 0 | 0 | 0 | 110.4 | F145 T151 Y172 T173 Y175 | F145-F147 HydrophobicContact CB-CD2 4.43Å; F145-F147 HydrophobicContact CB-CE2 3.69Å; F145-F147 HydrophobicContact CB-CZ 3.87Å; F145-F147 HydrophobicContact CD1-CZ 4.33Å; F145-F147 HydrophobicContact CG-CZ 4.33Å; F147-T151 HydrophobicContact CD1-CG2 3.87Å; F147-T151 HydrophobicContact CE1-CG2 3.71Å; F147-Y172 CarbonylContact O-C 3.59Å; F147-Y172 WeakPolarHBondContact O-CA 3.49Å; F147-T173 PolarHBondContact N-O 2.8Å; F147-T173 PolarHBondContact O-N 3.45Å; F147-Y175 AromaticContact CD2-CD2 3.74Å; F147-Y175 HydrophobicContact CD2-CD2 3.74Å; F147-Y175 HydrophobicContact CD2-CE2 4.04Å; F147-Y175 AromaticContact CE2-CD2 3.78Å; F147-Y175 HydrophobicContact CE2-CD2 3.78Å; F147-Y175 HydrophobicContact CE2-CE2 4.32Å |
| 148 | G | 96 | Very high | 92.4 | Very high | 39 Ų | 39 | 56.9 Ų | 56.9 | 40% | 0.402 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -148.9 | -133 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | K150 T171 | G148-K150 PolarHBondContact N-O 2.87Å; G148-K150 VanDerWaalsContact N-O 3.16Å; G148-K150 PolarHBondContact O-N 3.25Å; G148-T171 WeakPolarHBondContact CA-O 3.43Å |
| 149 | D | 95.9 | Very high | 92.3 | Very high | 85 Ų | 85 | 57 Ų | 57 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -62 | -25.3 | 168.5 | 67.2 | -37.8 | 0 | 0 | 0 | 112.7 | T167 N170 Y172 | D149-T167 WeakPolarHBondContact OD2-CB 3.27Å; D149-T167 PolarHBondContact OD2-OG1 2.98Å; D149-N170 WeakPolarHBondContact CB-ND2 3.41Å; D149-N170 PolarHBondContact OD2-ND2 3.29Å; D149-N170 VanDerWaalsContact OD2-ND2 3.12Å; D149-Y172 WeakPolarHBondContact OD1-CE1 3.43Å; D149-Y172 PolarHBondContact OD1-OH 2.88Å |
| 150 | K | 94.3 | Very high | 92.5 | Very high | 82 Ų | 82 | 55 Ų | 55 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -136.9 | 159.6 | 169 | 63.6 | -172.6 | 171.7 | -162.7 | 0 | 110.7 | G148 V152 F165 Y172 | G148-K150 PolarHBondContact N-O 2.87Å; G148-K150 VanDerWaalsContact N-O 3.16Å; G148-K150 PolarHBondContact O-N 3.25Å; K150-V152 HydrophobicContact CG-CG2 4.33Å; K150-F165 WeakPolarHBondContact CE-O 3.36Å; K150-F165 PolarHBondContact NZ-O 2.89Å; K150-Y172 HydrophobicContact CG-CE1 4.07Å; K150-Y172 WeakPolarHBondContact O-CE1 3.35Å |
| 151 | T | 94.6 | Very high | 92.7 | Very high | 90 Ų | 90 | 52.6 Ų | 52.6 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126 | 171.8 | -55.9 | 0 | 0 | 0 | 0 | 109.6 | F145 L146 F147 | F145-T151 HydrophobicContact CD1-CG2 4.43Å; L146-T151 WeakPolarHBondContact O-CA 3.47Å; F147-T151 HydrophobicContact CD1-CG2 3.87Å; F147-T151 HydrophobicContact CE1-CG2 3.71Å |
| 152 | V | 94.1 | Very high | 92.8 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.5 | 171.3 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | F145 L146 K150 I163 F165 L166 | F145-V152 CarbonylContact C-O 3.56Å; F145-V152 WeakPolarHBondContact CA-O 3.48Å; L146-V152 HydrophobicContact CB-CB 4.2Å; L146-V152 HydrophobicContact CD1-CB 4.34Å; L146-V152 HydrophobicContact CD1-CG1 4.38Å; L146-V152 PolarHBondContact N-O 2.81Å; L146-V152 PolarHBondContact O-N 2.94Å; K150-V152 HydrophobicContact CG-CG2 4.33Å; V152-I163 HydrophobicContact CG1-CG2 4.13Å; V152-F165 HydrophobicContact CB-CE2 4.12Å; V152-F165 HydrophobicContact CG1-CE2 3.42Å; V152-F165 VanDerWaalsContact CG1-CE2 3.42Å; V152-F165 HydrophobicContact CG1-CZ 3.76Å; V152-F165 HydrophobicContact CG2-CD2 4.07Å; V152-F165 HydrophobicContact CG2-CE2 3.57Å; V152-L166 HydrophobicContact CG2-CD2 3.79Å |
| 153 | M | 94 | Very high | 92.9 | Very high | 114 Ų | 114 | 53.8 Ų | 53.8 | 56% | 0.562 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.1 | 173.8 | 178.8 | -165.7 | 68.4 | 0 | 0 | 108.6 | Q143 F144 F145 | Q143-M153 HydrophobicContact CG-CG 4Å; Q143-M153 PolarHBondContact NE2-SD 2.8Å; F144-M153 CarbonylContact O-C 3.58Å; F144-M153 VanDerWaalsContact O-CA 3.3Å; F144-M153 WeakPolarHBondContact O-CA 3.06Å; F145-M153 HydrophobicContact CD1-CB 4.2Å; F145-M153 HydrophobicContact CD1-CG 4.27Å; F145-M153 HydrophobicContact CE1-CB 4.06Å; F145-M153 HydrophobicContact CE1-CG 3.8Å; F145-M153 HydrophobicContact CE1-SD 4.13Å; F145-M153 HydrophobicContact CZ-CG 4.05Å; F145-M153 HydrophobicContact CZ-SD 4.23Å |
| 154 | Q | 93.2 | Very high | 92.7 | Very high | 51 Ų | 51 | 54.7 Ų | 54.7 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 130.2 | 179 | -170.9 | 163.3 | 7.7 | 0 | 0 | 111.5 | F144 R162 | F144-Q154 PolarHBondContact N-O 2.97Å; F144-Q154 PolarHBondContact O-N 2.88Å; Q154-R162 PolarHBondContact NE2-O 2.92Å; Q154-R162 PolarHBondContact OE1-O 2.89Å |
| 155 | M | 92.5 | Very high | 92.4 | Very high | 69 Ų | 69 | 59.7 Ų | 59.7 | 34% | 0.34 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 145 | 171.8 | -60.7 | -54.5 | -63.1 | 0 | 0 | 110.2 | E141 L142 Q143 K179 | E141-M155 HydrophobicContact CG-CE 3.82Å; E141-M155 WeakPolarHBondContact OE1-CB 3.49Å; E141-M155 WeakPolarHBondContact OE1-CE 3.47Å; L142-M155 CarbonylContact O-C 3.56Å; L142-M155 WeakPolarHBondContact O-CA 3.37Å; Q143-M155 HydrophobicContact CB-CE 4Å; Q143-M155 HydrophobicContact CB-SD 3.54Å; Q143-M155 VanDerWaalsContact CB-SD 3.54Å; Q143-M155 HydrophobicContact CG-SD 3.51Å; Q143-M155 VanDerWaalsContact CG-SD 3.51Å; M155-K179 HydrophobicContact CE-CB 3.93Å; M155-K179 HydrophobicContact CE-CD 3.79Å; M155-K179 HydrophobicContact CE-CG 3.74Å |
| 156 | A | 91.6 | Very high | 92.4 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 7% | 0.066 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 141.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | W129 E141 L142 F144 I161 | W129-A156 HydrophobicContact CH2-CB 3.58Å; W129-A156 HydrophobicContact CZ2-CB 4.11Å; W129-A156 HydrophobicContact CZ3-CB 4.43Å; E141-A156 CarbonylContact C-O 3.53Å; E141-A156 VanDerWaalsContact CA-O 3.31Å; E141-A156 WeakPolarHBondContact CA-O 3.44Å; E141-A156 WeakPolarHBondContact CG-O 3.37Å; L142-A156 PolarHBondContact N-O 2.8Å; L142-A156 PolarHBondContact O-N 2.79Å; F144-A156 HydrophobicContact CD2-CB 3.94Å; F144-A156 HydrophobicContact CE2-CB 3.83Å; A156-I161 HydrophobicContact CB-CG2 3.11Å |
| 157 | K | 85.4 | Confident | 92.3 | Very high | 127 Ų | 127 | 60.9 Ų | 60.9 | 55% | 0.552 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145.8 | 164.8 | -173.7 | 179.7 | -180 | -179.4 | 0 | 108.1 | D139 | D139-K157 VanDerWaalsContact O-CE 3.32Å; D139-K157 WeakPolarHBondContact O-CE 3.33Å; D139-K157 VanDerWaalsContact OD1-CE 3.26Å; D139-K157 WeakPolarHBondContact OD1-CE 2.84Å; D139-K157 IonicContact OD1-NZ 2.74Å; D139-K157 PolarHBondContact OD1-NZ 2.78Å |
| 158 | G | 84.3 | Confident | 92.1 | Very high | 30 Ų | 30 | 63.9 Ų | 63.9 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 97.9 | -131.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | W129 | W129-G158 VanDerWaalsContact CZ2-C 3.4Å; W129-G158 WeakPolarHBondContact CZ2-O 3.11Å; W129-G158 PolarHBondContact NE1-O 2.91Å; W129-G158 VanDerWaalsContact NE1-O 3.07Å |
| 159 | Q | 89 | Confident | 92 | Very high | 82 Ų | 82 | 63.9 Ų | 63.9 | 38% | 0.383 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -138 | 10 | -170.3 | -64.3 | -178.5 | -53.8 | 0 | 0 | 113.7 | N128 W129 Y134 | N128-Q159 VanDerWaalsContact CA-O 3.24Å; N128-Q159 WeakPolarHBondContact CA-O 3.34Å; N128-Q159 PolarHBondContact ND2-O 2.84Å; W129-Q159 PolarHBondContact N-O 3.04Å; Y134-Q159 HydrophobicContact CE2-CG 4.05Å; Y134-Q159 VanDerWaalsContact CE2-NE2 3.33Å |
| 160 | E | 93 | Very high | 92 | Very high | 64 Ų | 64 | 62.5 Ų | 62.5 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 140.2 | 179.7 | -172.5 | 169.8 | 97.7 | 0 | 0 | 111.6 | R119 I126 I127 N128 W129 R162 | R119-E160 IonicContact CZ-OE2 2.62Å; R119-E160 IonicContact NH2-OE2 3.49Å; R119-E160 PolarHBondContact NH2-OE2 2.66Å; I126-E160 HydrophobicContact CG2-CG 3.49Å; I126-E160 VanDerWaalsContact CG2-CG 3.49Å; I126-E160 VanDerWaalsContact CG2-OE2 3.25Å; I126-E160 WeakPolarHBondContact CG2-OE2 3.43Å; I127-E160 CarbonylContact O-C 3.58Å; I127-E160 WeakPolarHBondContact O-CA 3.43Å; N128-E160 VanDerWaalsContact ND2-CB 3.34Å; N128-E160 WeakPolarHBondContact ND2-CB 3.32Å; N128-E160 VanDerWaalsContact ND2-CG 3.29Å; N128-E160 WeakPolarHBondContact ND2-CG 3.36Å; N128-E160 PolarHBondContact ND2-OE2 2.87Å; W129-E160 VanDerWaalsContact CH2-N 3.28Å; W129-E160 VanDerWaalsContact CZ3-CA 3.49Å; W129-E160 VanDerWaalsContact CZ3-N 3.32Å; E160-R162 IonicContact OE1-CZ 2.85Å; E160-R162 VanDerWaalsContact OE1-CZ 3.25Å; E160-R162 IonicContact OE1-NE 3.87Å; E160-R162 PolarHBondContact OE1-NE 3.16Å; E160-R162 IonicContact OE1-NH2 3.96Å; E160-R162 PolarHBondContact OE1-NH2 2.87Å; E160-R162 IonicContact OE2-NH2 3.86Å |
| 161 | I | 94 | Very high | 92.1 | Very high | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 148.9 | 159.6 | 57.6 | 177 | 0 | 0 | 0 | 110.2 | I126 I127 W129 F144 A156 I163 | I126-I161 WeakPolarHBondContact CA-O 3.41Å; I127-I161 HydrophobicContact CB-CD1 4.22Å; I127-I161 HydrophobicContact CB-CG1 3.72Å; I127-I161 HydrophobicContact CD1-CD1 4.3Å; I127-I161 HydrophobicContact CG1-CG1 4.46Å; I127-I161 HydrophobicContact CG2-CG1 4.49Å; I127-I161 PolarHBondContact N-O 3.36Å; I127-I161 PolarHBondContact O-N 2.97Å; W129-I161 HydrophobicContact CH2-CG2 3.92Å; W129-I161 HydrophobicContact CZ3-CB 4.37Å; W129-I161 HydrophobicContact CZ3-CG1 4.23Å; W129-I161 HydrophobicContact CZ3-CG2 3.89Å; F144-I161 HydrophobicContact CB-CD1 3.74Å; F144-I161 HydrophobicContact CD1-CD1 3.87Å; F144-I161 HydrophobicContact CD2-CD1 3.87Å; F144-I161 HydrophobicContact CD2-CG2 4.43Å; F144-I161 HydrophobicContact CE1-CD1 4.46Å; F144-I161 HydrophobicContact CE2-CD1 4.46Å; F144-I161 HydrophobicContact CG-CD1 3.55Å; A156-I161 HydrophobicContact CB-CG2 3.11Å; I161-I163 HydrophobicContact CD1-CD1 3.84Å; I161-I163 HydrophobicContact CD1-CG1 4.27Å; I161-I163 HydrophobicContact CG1-CD1 4.35Å; I161-I163 HydrophobicContact CG1-CG1 4.35Å |
| 162 | R | 94.1 | Very high | 92.2 | Very high | 95 Ų | 95 | 57.3 Ų | 57.3 | 36% | 0.358 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 129 | 175.6 | -59.3 | -175.7 | 171.6 | -111.2 | -6.2 | 109.2 | E121 E124 I126 Q154 E160 | E121-R162 IonicContact OE2-CZ 3.6Å; E121-R162 IonicContact OE2-NH1 2.93Å; E121-R162 PolarHBondContact OE2-NH1 3.01Å; E121-R162 IonicContact OE2-NH2 3.68Å; E124-R162 IonicContact OE2-NH1 3.97Å; I126-R162 HydrophobicContact CG1-CG 4.22Å; Q154-R162 PolarHBondContact NE2-O 2.92Å; Q154-R162 PolarHBondContact OE1-O 2.89Å; E160-R162 IonicContact OE1-CZ 2.85Å; E160-R162 VanDerWaalsContact OE1-CZ 3.25Å; E160-R162 IonicContact OE1-NE 3.87Å; E160-R162 PolarHBondContact OE1-NE 3.16Å; E160-R162 IonicContact OE1-NH2 3.96Å; E160-R162 PolarHBondContact OE1-NH2 2.87Å; E160-R162 IonicContact OE2-NH2 3.86Å |
| 163 | I | 93.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 95.6 | -172.3 | -37.5 | -173.4 | 0 | 0 | 0 | 108.6 | T125 I127 L146 V152 I161 F165 L166 | T125-I163 PolarHBondContact N-O 2.77Å; T125-I163 PolarHBondContact O-N 2.83Å; I127-I163 HydrophobicContact CD1-CD1 3.82Å; I127-I163 HydrophobicContact CG1-CD1 4.44Å; L146-I163 HydrophobicContact CD1-CD1 3.71Å; L146-I163 HydrophobicContact CD2-CD1 3.33Å; L146-I163 HydrophobicContact CG-CD1 4.19Å; V152-I163 HydrophobicContact CG1-CG2 4.13Å; I161-I163 HydrophobicContact CD1-CD1 3.84Å; I161-I163 HydrophobicContact CD1-CG1 4.27Å; I161-I163 HydrophobicContact CG1-CD1 4.35Å; I161-I163 HydrophobicContact CG1-CG1 4.35Å; I163-F165 VanDerWaalsContact C-N 3.31Å; I163-F165 HydrophobicContact CG2-CD2 4.41Å; I163-F165 HydrophobicContact CG2-CE2 4.07Å; I163-F165 HydrophobicContact CG2-CZ 4.1Å; I163-F165 PolarHBondContact O-N 2.88Å; I163-L166 HydrophobicContact CB-CG 4.32Å; I163-L166 HydrophobicContact CG2-CD1 4.45Å; I163-L166 HydrophobicContact CG2-CD2 3.79Å; I163-L166 HydrophobicContact CG2-CG 3.83Å |
| 164 | P | 89 | Confident | 92.4 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 42% | 0.422 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -7.7 | -171.1 | 24.7 | -27.8 | 0 | 0 | 0 | 114.9 | T123 E124 | T123-P164 CarbonylContact O-C 3.49Å; E124-P164 HydrophobicContact CG-CB 3.98Å |
| 165 | F | 87.3 | Confident | 92.4 | Very high | 105 Ų | 105 | 54.3 Ų | 54.3 | 46% | 0.461 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 24.2 | -164.9 | 50 | -101.3 | 0 | 0 | 0 | 114 | K150 V152 I163 | K150-F165 WeakPolarHBondContact CE-O 3.36Å; K150-F165 PolarHBondContact NZ-O 2.89Å; V152-F165 HydrophobicContact CB-CE2 4.12Å; V152-F165 HydrophobicContact CG1-CE2 3.42Å; V152-F165 VanDerWaalsContact CG1-CE2 3.42Å; V152-F165 HydrophobicContact CG1-CZ 3.76Å; V152-F165 HydrophobicContact CG2-CD2 4.07Å; V152-F165 HydrophobicContact CG2-CE2 3.57Å; I163-F165 VanDerWaalsContact C-N 3.31Å; I163-F165 HydrophobicContact CG2-CD2 4.41Å; I163-F165 HydrophobicContact CG2-CE2 4.07Å; I163-F165 HydrophobicContact CG2-CZ 4.1Å; I163-F165 PolarHBondContact O-N 2.88Å |
| 166 | L | 93 | Very high | 92.4 | Very high | 17 Ų | 17 | 51 Ų | 51 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 141.9 | 171.6 | -58.5 | -171.5 | 0 | 0 | 0 | 111.1 | T125 L146 V152 I163 K168 Y172 I195 V197 | T125-L166 HydrophobicContact CG2-CD1 4Å; L146-L166 HydrophobicContact CD2-CD1 3.9Å; L146-L166 HydrophobicContact CD2-CD2 4.29Å; V152-L166 HydrophobicContact CG2-CD2 3.79Å; I163-L166 HydrophobicContact CB-CG 4.32Å; I163-L166 HydrophobicContact CG2-CD1 4.45Å; I163-L166 HydrophobicContact CG2-CD2 3.79Å; I163-L166 HydrophobicContact CG2-CG 3.83Å; L166-K168 PolarHBondContact O-N 3.02Å; L166-Y172 HydrophobicContact CB-CD2 4.41Å; L166-Y172 HydrophobicContact CB-CE2 3.78Å; L166-Y172 HydrophobicContact CD1-CD2 4.13Å; L166-Y172 HydrophobicContact CD1-CE2 4.31Å; L166-Y172 HydrophobicContact CD1-CG 4.44Å; L166-Y172 HydrophobicContact CD2-CD1 4.16Å; L166-Y172 HydrophobicContact CD2-CD2 4.42Å; L166-Y172 HydrophobicContact CD2-CE1 3.83Å; L166-Y172 HydrophobicContact CD2-CE2 4.1Å; L166-Y172 HydrophobicContact CD2-CG 4.45Å; L166-Y172 HydrophobicContact CG-CE2 4.29Å; L166-I195 HydrophobicContact CD1-CD1 3.61Å; L166-V197 HydrophobicContact CB-CG2 3.67Å; L166-V197 HydrophobicContact CD1-CG2 4.08Å |
| 167 | T | 93.6 | Very high | 92.3 | Very high | 50 Ų | 50 | 52.7 Ų | 52.7 | 31% | 0.307 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 124.9 | -177.7 | -53.2 | 0 | 0 | 0 | 0 | 109.9 | D149 N170 Y172 V197 | D149-T167 WeakPolarHBondContact OD2-CB 3.27Å; D149-T167 PolarHBondContact OD2-OG1 2.98Å; T167-N170 WeakPolarHBondContact CB-ND2 3.34Å; T167-N170 VanDerWaalsContact CG2-ND2 3.31Å; T167-N170 WeakPolarHBondContact CG2-ND2 3.38Å; T167-N170 PolarHBondContact O-N 2.8Å; T167-Y172 PolarHBondContact N-OH 2.61Å; T167-Y172 PolarHBondContact OG1-OH 2.75Å; T167-V197 WeakPolarHBondContact O-CB 3.46Å |
| 168 | K | 92.5 | Very high | 92.4 | Very high | 154 Ų | 154 | 47.1 Ų | 47.1 | 67% | 0.67 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 142.8 | 179 | -67.1 | -169 | 175.5 | -171.8 | 0 | 112.1 | L166 N170 V197 | L166-K168 PolarHBondContact O-N 3.02Å; K168-N170 PolarHBondContact O-N 2.9Å; K168-V197 HydrophobicContact CG-CG1 4.32Å |
| 169 | G | 93.3 | Very high | 92.3 | Very high | 38 Ų | 38 | 50.2 Ų | 50.2 | 39% | 0.392 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -13.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V197 | G169-V197 WeakPolarHBondContact CA-O 3.49Å; G169-V197 PolarHBondContact N-O 3.06Å |
| 170 | N | 95.1 | Very high | 91.7 | Very high | 57 Ų | 57 | 53 Ų | 53 | 31% | 0.305 | 27% | 0.265 | S | S | . | . | trans | -87.4 | 153 | 178 | -74.7 | -34 | 0 | 0 | 0 | 112.3 | D149 T167 K168 Y172 V197 | D149-N170 WeakPolarHBondContact CB-ND2 3.41Å; D149-N170 PolarHBondContact OD2-ND2 3.29Å; D149-N170 VanDerWaalsContact OD2-ND2 3.12Å; T167-N170 WeakPolarHBondContact CB-ND2 3.34Å; T167-N170 VanDerWaalsContact CG2-ND2 3.31Å; T167-N170 WeakPolarHBondContact CG2-ND2 3.38Å; T167-N170 PolarHBondContact O-N 2.8Å; K168-N170 PolarHBondContact O-N 2.9Å; N170-Y172 HydrophobicContact CB-CE2 4.05Å; N170-V197 PolarHBondContact O-N 3.23Å | ||
| 171 | T | 96.9 | Very high | 91 | Very high | 63 Ų | 63 | 53.7 Ų | 53.7 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 137.8 | 169.5 | -58.8 | 0 | 0 | 0 | 0 | 109.4 | G148 D194 I195 | G148-T171 WeakPolarHBondContact CA-O 3.43Å; T171-D194 HydrophobicContact CG2-CB 4.05Å; T171-I195 CarbonylContact C-O 3.52Å; T171-I195 VanDerWaalsContact CA-O 3.23Å; T171-I195 WeakPolarHBondContact CA-O 3.33Å |
| 172 | Y | 96.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.9 | 170.5 | -64.3 | -104 | 0 | 0 | 0 | 110.1 | L146 F147 D149 K150 L166 T167 N170 D194 I195 V197 | L146-Y172 HydrophobicContact CB-CD1 4.15Å; F147-Y172 CarbonylContact O-C 3.59Å; F147-Y172 WeakPolarHBondContact O-CA 3.49Å; D149-Y172 WeakPolarHBondContact OD1-CE1 3.43Å; D149-Y172 PolarHBondContact OD1-OH 2.88Å; K150-Y172 HydrophobicContact CG-CE1 4.07Å; K150-Y172 WeakPolarHBondContact O-CE1 3.35Å; L166-Y172 HydrophobicContact CB-CD2 4.41Å; L166-Y172 HydrophobicContact CB-CE2 3.78Å; L166-Y172 HydrophobicContact CD1-CD2 4.13Å; L166-Y172 HydrophobicContact CD1-CE2 4.31Å; L166-Y172 HydrophobicContact CD1-CG 4.44Å; L166-Y172 HydrophobicContact CD2-CD1 4.16Å; L166-Y172 HydrophobicContact CD2-CD2 4.42Å; L166-Y172 HydrophobicContact CD2-CE1 3.83Å; L166-Y172 HydrophobicContact CD2-CE2 4.1Å; L166-Y172 HydrophobicContact CD2-CG 4.45Å; L166-Y172 HydrophobicContact CG-CE2 4.29Å; T167-Y172 PolarHBondContact N-OH 2.61Å; T167-Y172 PolarHBondContact OG1-OH 2.75Å; N170-Y172 HydrophobicContact CB-CE2 4.05Å; Y172-D194 WeakPolarHBondContact O-CA 3.2Å; Y172-I195 PolarHBondContact N-O 3.38Å; Y172-I195 VanDerWaalsContact O-CG1 3.29Å; Y172-I195 WeakPolarHBondContact O-CG1 3.29Å; Y172-I195 PolarHBondContact O-N 3.13Å; Y172-V197 HydrophobicContact CD2-CG2 3.88Å; Y172-V197 HydrophobicContact CE2-CG2 3.81Å |
| 173 | T | 97 | Very high | 90.1 | Very high | 37 Ų | 37 | 58.2 Ų | 58.2 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.6 | 170.2 | -51.8 | 0 | 0 | 0 | 0 | 109.4 | L146 F147 Y175 D194 | L146-T173 WeakPolarHBondContact CA-O 3.31Å; F147-T173 PolarHBondContact N-O 2.8Å; F147-T173 PolarHBondContact O-N 3.45Å; T173-Y175 HydrophobicContact CG2-CD2 4.19Å; T173-Y175 HydrophobicContact CG2-CE2 3.45Å; T173-Y175 VanDerWaalsContact CG2-CE2 3.45Å; T173-D194 WeakPolarHBondContact CA-OD1 3.3Å; T173-D194 VanDerWaalsContact CB-OD1 3.28Å; T173-D194 WeakPolarHBondContact CB-OD1 3.29Å; T173-D194 WeakPolarHBondContact CG2-OD1 3.06Å; T173-D194 PolarHBondContact OG1-OD1 2.97Å |
| 174 | V | 95 | Very high | 89.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.4 | -176.3 | -172.7 | 0 | 0 | 0 | 0 | 110.6 | L116 I127 F144 F145 L146 N190 F193 I195 | L116-V174 HydrophobicContact CD1-CG1 4.4Å; I127-V174 HydrophobicContact CD1-CG1 4.02Å; I127-V174 HydrophobicContact CD1-CG2 3.82Å; F144-V174 HydrophobicContact CD1-CG1 3.84Å; F144-V174 HydrophobicContact CE1-CG1 4.49Å; F145-V174 CarbonylContact O-C 3.53Å; F145-V174 WeakPolarHBondContact O-CA 3.15Å; L146-V174 HydrophobicContact CD2-CG2 4.04Å; L146-V174 HydrophobicContact CG-CG1 4.36Å; L146-V174 HydrophobicContact CG-CG2 4.03Å; V174-N190 PolarHBondContact O-ND2 2.76Å; V174-F193 HydrophobicContact CB-CB 4.35Å; V174-F193 WeakPolarHBondContact CB-O 3.21Å; V174-F193 HydrophobicContact CG2-CD1 4.42Å; V174-F193 WeakPolarHBondContact CG2-O 3.25Å; V174-F193 PolarHBondContact N-O 2.96Å; V174-F193 PolarHBondContact O-N 2.86Å; V174-I195 HydrophobicContact CG2-CD1 4.07Å; V174-I195 HydrophobicContact CG2-CG1 3.93Å; V174-I195 HydrophobicContact CG2-CG2 4.13Å |
| 175 | Y | 93.7 | Very high | 89.3 | Confident | 72 Ų | 72 | 57.5 Ų | 57.5 | 28% | 0.282 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 141.1 | 168.7 | -65 | -86.8 | 0 | 0 | 0 | 109.8 | F144 F145 F147 T173 Y188 G192 | F144-Y175 CarbonylContact C-O 3.55Å; F144-Y175 WeakPolarHBondContact CA-O 3.32Å; F145-Y175 PolarHBondContact N-O 3.13Å; F145-Y175 PolarHBondContact O-N 2.6Å; F147-Y175 AromaticContact CD2-CD2 3.74Å; F147-Y175 HydrophobicContact CD2-CD2 3.74Å; F147-Y175 HydrophobicContact CD2-CE2 4.04Å; F147-Y175 AromaticContact CE2-CD2 3.78Å; F147-Y175 HydrophobicContact CE2-CD2 3.78Å; F147-Y175 HydrophobicContact CE2-CE2 4.32Å; T173-Y175 HydrophobicContact CG2-CD2 4.19Å; T173-Y175 HydrophobicContact CG2-CE2 3.45Å; T173-Y175 VanDerWaalsContact CG2-CE2 3.45Å; Y175-Y188 AromaticContact CD1-CD1 3.83Å; Y175-Y188 HydrophobicContact CD1-CD1 3.83Å; Y175-Y188 HydrophobicContact CD1-CE1 4.27Å; Y175-Y188 HydrophobicContact CE1-CD1 4.42Å; Y175-G192 VanDerWaalsContact CE1-CA 3.46Å |
| 176 | A | 92.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 140.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I113 Q143 F144 T189 N190 | I113-A176 HydrophobicContact CD1-CB 3.68Å; Q143-A176 CarbonylContact O-C 3.56Å; Q143-A176 WeakPolarHBondContact O-CA 3.35Å; F144-A176 HydrophobicContact CD1-CB 3.79Å; F144-A176 HydrophobicContact CD2-CB 4.47Å; F144-A176 HydrophobicContact CE1-CB 3.63Å; F144-A176 HydrophobicContact CE2-CB 4.32Å; F144-A176 HydrophobicContact CG-CB 4.22Å; F144-A176 HydrophobicContact CZ-CB 3.89Å; A176-T189 WeakPolarHBondContact CB-OG1 3.44Å; A176-T189 WeakPolarHBondContact O-CB 3.08Å; A176-T189 WeakPolarHBondContact O-CG2 3.47Å; A176-T189 PolarHBondContact O-N 2.96Å; A176-T189 PolarHBondContact O-OG1 3.12Å; A176-N190 PolarHBondContact N-OD1 2.91Å |
| 177 | F | 89.2 | Confident | 87.3 | Confident | 43 Ų | 43 | 57.8 Ų | 57.8 | 19% | 0.189 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 144.2 | -179.1 | -58.4 | -96 | 0 | 0 | 0 | 109.4 | L142 Q143 F145 Y188 | L142-F177 CarbonylContact C-O 3.6Å; L142-F177 WeakPolarHBondContact CA-O 3.47Å; Q143-F177 PolarHBondContact N-O 3.4Å; Q143-F177 PolarHBondContact O-N 3.25Å; F145-F177 AromaticContact CD2-CD2 3.53Å; F145-F177 HydrophobicContact CD2-CD2 3.53Å; F145-F177 AromaticContact CD2-CE2 3.54Å; F145-F177 HydrophobicContact CD2-CE2 3.54Å; F145-F177 AromaticContact CE2-CD2 3.89Å; F145-F177 HydrophobicContact CE2-CD2 3.89Å; F145-F177 HydrophobicContact CE2-CE2 4.14Å; F145-F177 HydrophobicContact CG-CE2 4.38Å; F177-Y188 HydrophobicContact CD1-CD1 4.24Å; F177-Y188 AromaticContact CE1-CD1 3.24Å; F177-Y188 HydrophobicContact CE1-CD1 3.24Å; F177-Y188 AromaticContact CE1-CE1 3.32Å; F177-Y188 HydrophobicContact CE1-CE1 3.32Å; F177-Y188 HydrophobicContact CE1-CG 4.09Å; F177-Y188 HydrophobicContact CE2-CD1 4.45Å; F177-Y188 AromaticContact CZ-CD1 3.39Å; F177-Y188 HydrophobicContact CZ-CD1 3.39Å; F177-Y188 AromaticContact CZ-CE1 3.34Å; F177-Y188 HydrophobicContact CZ-CE1 3.34Å |
| 178 | P | 87.8 | Confident | 86.1 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 7% | 0.065 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 143.7 | 163.7 | 30.3 | -35.7 | 0 | 0 | 0 | 109.8 | A110 H180 M181 T189 | A110-P178 HydrophobicContact CB-CG 3.92Å; P178-H180 VanDerWaalsContact C-N 3.26Å; P178-H180 PolarHBondContact O-N 3.27Å; P178-M181 HydrophobicContact CB-CG 4.16Å; P178-M181 HydrophobicContact CG-CE 3.77Å; P178-M181 HydrophobicContact CG-CG 3.31Å; P178-M181 HydrophobicContact CG-SD 3.26Å; P178-M181 WeakPolarHBondContact CG-SD 3.07Å; P178-T189 VanDerWaalsContact CD-CG2 3.49Å |
| 179 | K | 82.3 | Confident | 85.3 | Confident | 95 Ų | 95 | 54.5 Ų | 54.5 | 41% | 0.413 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -60.2 | -36.3 | 179.2 | -174.5 | -179 | -172.8 | 166.4 | 0 | 113.4 | E141 M155 | E141-K179 HydrophobicContact CB-CD 4.37Å; E141-K179 HydrophobicContact CG-CD 4.45Å; E141-K179 PolarHBondContact O-N 3.09Å; E141-K179 IonicContact OE1-NZ 2.66Å; E141-K179 PolarHBondContact OE1-NZ 3.2Å; E141-K179 VanDerWaalsContact OE2-CD 3.31Å; E141-K179 WeakPolarHBondContact OE2-CD 3.23Å; E141-K179 IonicContact OE2-NZ 2.54Å; E141-K179 PolarHBondContact OE2-NZ 3.23Å; M155-K179 HydrophobicContact CE-CB 3.93Å; M155-K179 HydrophobicContact CE-CD 3.79Å; M155-K179 HydrophobicContact CE-CG 3.74Å |
| 180 | H | 77.5 | Confident | 84.8 | Confident | 141 Ų | 141 | 53.3 Ų | 53.3 | 65% | 0.653 | 27% | 0.266 | S | S | * | . | trans | -133.6 | 136.3 | -177.8 | -62.3 | -57.8 | 0 | 0 | 0 | 109.6 | P178 | P178-H180 VanDerWaalsContact C-N 3.26Å; P178-H180 PolarHBondContact O-N 3.27Å | ||
| 181 | M | 78 | Confident | 84.2 | Confident | 77 Ų | 77 | 57.8 Ų | 57.8 | 38% | 0.379 | 29% | 0.288 | S | S | . | . | trans | -140.9 | 146.6 | 170.9 | -70.6 | -176.1 | -71.9 | 0 | 0 | 109.1 | A110 P178 T185 | A110-M181 HydrophobicContact CB-CG 4.4Å; A110-M181 HydrophobicContact CB-SD 3.95Å; P178-M181 HydrophobicContact CB-CG 4.16Å; P178-M181 HydrophobicContact CG-CE 3.77Å; P178-M181 HydrophobicContact CG-CG 3.31Å; P178-M181 HydrophobicContact CG-SD 3.26Å; P178-M181 WeakPolarHBondContact CG-SD 3.07Å; M181-T185 HydrophobicContact CG-CG2 4.29Å; M181-T185 HydrophobicContact SD-CG2 4Å | ||
| 182 | D | 82.9 | Confident | 83.9 | Confident | 57 Ų | 57 | 56.2 Ų | 56.2 | 31% | 0.305 | 29% | 0.285 | S | S | . | . | trans | -73.9 | 168.7 | 164.1 | 60.1 | 62.4 | 0 | 0 | 0 | 111.6 | K106 E184 T185 | K106-D182 WeakPolarHBondContact CE-OD2 3.31Å; K106-D182 IonicContact NZ-OD1 3.94Å; K106-D182 PolarHBondContact NZ-OD1 2.9Å; K106-D182 IonicContact NZ-OD2 2.7Å; K106-D182 PolarHBondContact NZ-OD2 3.18Å; D182-E184 PolarHBondContact O-N 2.64Å; D182-E184 WeakPolarHBondContact OD1-CA 3.44Å; D182-E184 WeakPolarHBondContact OD1-CB 3.39Å; D182-E184 PolarHBondContact OD1-N 2.9Å; D182-T185 PolarHBondContact O-N 2.99Å; D182-T185 WeakPolarHBondContact OD1-CB 3.42Å; D182-T185 PolarHBondContact OD1-N 3.33Å; D182-T185 PolarHBondContact OD1-OG1 2.86Å; D182-T185 PolarHBondContact OD2-OG1 2.9Å | ||
| 183 | T | 85.3 | Confident | 83.7 | Confident | 141 Ų | 141 | 59.4 Ų | 59.4 | 87% | 0.865 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -13.2 | -176.5 | 51.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 184 | E | 85.2 | Confident | 83.7 | Confident | 42 Ų | 42 | 62.6 Ų | 62.6 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -15.6 | 179.3 | -56.3 | -179.1 | 139.4 | 0 | 0 | 112 | R27 K28 Y29 K106 D182 | R27-E184 IonicContact CZ-OE1 3.01Å; R27-E184 IonicContact CZ-OE2 2.75Å; R27-E184 IonicContact NE-OE1 2.97Å; R27-E184 PolarHBondContact NE-OE1 3.48Å; R27-E184 IonicContact NE-OE2 2.8Å; R27-E184 IonicContact NH2-OE1 3.25Å; R27-E184 PolarHBondContact NH2-OE1 2.81Å; R27-E184 IonicContact NH2-OE2 2.6Å; K28-E184 WeakPolarHBondContact CA-O 3.41Å; Y29-E184 HydrophobicContact CD2-CB 3.75Å; Y29-E184 HydrophobicContact CE2-CB 3.97Å; Y29-E184 WeakPolarHBondContact CE2-OE2 3.38Å; Y29-E184 PolarHBondContact N-O 2.87Å; K106-E184 IonicContact NZ-OE2 2.61Å; K106-E184 PolarHBondContact NZ-OE2 3.33Å; D182-E184 PolarHBondContact O-N 2.64Å; D182-E184 WeakPolarHBondContact OD1-CA 3.44Å; D182-E184 WeakPolarHBondContact OD1-CB 3.39Å; D182-E184 PolarHBondContact OD1-N 2.9Å |
| 185 | T | 81.5 | Confident | 83.7 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 5% | 0.049 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -99.3 | 113.5 | -177.7 | -53.6 | 0 | 0 | 0 | 0 | 109.5 | A110 M181 D182 | A110-T185 HydrophobicContact CB-CG2 3.56Å; M181-T185 HydrophobicContact CG-CG2 4.29Å; M181-T185 HydrophobicContact SD-CG2 4Å; D182-T185 PolarHBondContact O-N 2.99Å; D182-T185 WeakPolarHBondContact OD1-CB 3.42Å; D182-T185 PolarHBondContact OD1-N 3.33Å; D182-T185 PolarHBondContact OD1-OG1 2.86Å; D182-T185 PolarHBondContact OD2-OG1 2.9Å |
| 186 | I | 67.4 | Low | 83.7 | Confident | 117 Ų | 117 | 67.8 Ų | 67.8 | 60% | 0.6 | 33% | 0.334 | S | S | * | . | trans | -124 | 104.1 | -179.4 | -56.5 | 175 | 0 | 0 | 0 | 108.1 | Y29 | Y29-I186 PolarHBondContact O-N 2.68Š| ||
| 187 | V | 70.5 | Confident | 83.7 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | trans | -154.5 | 143.3 | 178.5 | 118.7 | 0 | 0 | 0 | 0 | 114.3 | R30 Y31 A110 | R30-V187 HydrophobicContact CG-CG2 3.98Å; Y31-V187 HydrophobicContact CD1-CB 4.31Å; Y31-V187 HydrophobicContact CD1-CG1 3.8Å; Y31-V187 HydrophobicContact CD1-CG2 3.54Å; Y31-V187 HydrophobicContact CD2-CG2 3.94Å; Y31-V187 HydrophobicContact CE1-CB 4.07Å; Y31-V187 HydrophobicContact CE1-CG1 3.55Å; Y31-V187 HydrophobicContact CE1-CG2 3.3Å; Y31-V187 HydrophobicContact CE2-CG2 3.71Å; Y31-V187 HydrophobicContact CG-CG2 3.86Å; A110-V187 HydrophobicContact CB-CB 4.43Å; A110-V187 HydrophobicContact CB-CG1 3.72Å | ||
| 188 | Y | 67.8 | Low | 83.8 | Confident | 134 Ų | 134 | 71.6 Ų | 71.6 | 53% | 0.525 | 36% | 0.363 | S | S | . | . | trans | -89.4 | 128.7 | 155.4 | -65.8 | -96.3 | 0 | 0 | 0 | 107.1 | Y31 Y175 F177 N190 | Y31-Y188 WeakPolarHBondContact CE1-O 3.48Å; Y31-Y188 VanDerWaalsContact CZ-O 3.24Å; Y31-Y188 PolarHBondContact OH-O 3.22Å; Y175-Y188 AromaticContact CD1-CD1 3.83Å; Y175-Y188 HydrophobicContact CD1-CD1 3.83Å; Y175-Y188 HydrophobicContact CD1-CE1 4.27Å; Y175-Y188 HydrophobicContact CE1-CD1 4.42Å; F177-Y188 HydrophobicContact CD1-CD1 4.24Å; F177-Y188 AromaticContact CE1-CD1 3.24Å; F177-Y188 HydrophobicContact CE1-CD1 3.24Å; F177-Y188 AromaticContact CE1-CE1 3.32Å; F177-Y188 HydrophobicContact CE1-CE1 3.32Å; F177-Y188 HydrophobicContact CE1-CG 4.09Å; F177-Y188 HydrophobicContact CE2-CD1 4.45Å; F177-Y188 AromaticContact CZ-CD1 3.39Å; F177-Y188 HydrophobicContact CZ-CD1 3.39Å; F177-Y188 AromaticContact CZ-CE1 3.34Å; F177-Y188 HydrophobicContact CZ-CE1 3.34Å; Y188-N190 WeakPolarHBondContact CB-O 3.37Å; Y188-N190 PolarHBondContact O-N 2.81Å; Y188-N190 VanDerWaalsContact O-N 3.15Å | ||
| 189 | T | 76.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -66.3 | -19.9 | -175.9 | 64.5 | 0 | 0 | 0 | 0 | 113.1 | P111 I113 L142 A176 P178 | P111-T189 WeakPolarHBondContact O-CB 3.25Å; P111-T189 WeakPolarHBondContact O-CG2 3.29Å; I113-T189 WeakPolarHBondContact CB-O 3.49Å; I113-T189 WeakPolarHBondContact CD1-OG1 3.09Å; I113-T189 PolarHBondContact N-O 3.02Å; L142-T189 HydrophobicContact CD2-CG2 4.1Å; A176-T189 WeakPolarHBondContact CB-OG1 3.44Å; A176-T189 WeakPolarHBondContact O-CB 3.08Å; A176-T189 WeakPolarHBondContact O-CG2 3.47Å; A176-T189 PolarHBondContact O-N 2.96Å; A176-T189 PolarHBondContact O-OG1 3.12Å; P178-T189 VanDerWaalsContact CD-CG2 3.49Å |
| 190 | N | 81.1 | Confident | 83.6 | Confident | 12 Ų | 12 | 73.6 Ų | 73.6 | 6% | 0.064 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -140.1 | 159.7 | 175.6 | 66.3 | -55.6 | 0 | 0 | 0 | 111.6 | I113 V174 A176 Y188 | I113-N190 HydrophobicContact CB-CB 4.3Å; I113-N190 HydrophobicContact CD1-CB 4.42Å; V174-N190 PolarHBondContact O-ND2 2.76Å; A176-N190 PolarHBondContact N-OD1 2.91Å; Y188-N190 WeakPolarHBondContact CB-O 3.37Å; Y188-N190 PolarHBondContact O-N 2.81Å; Y188-N190 VanDerWaalsContact O-N 3.15Å |
| 191 | I | 83.6 | Confident | 84 | Confident | 151 Ų | 151 | 69.9 Ų | 69.9 | 77% | 0.774 | 36% | 0.361 | S | S | * | . | trans | -68.7 | 149.7 | 157.3 | 63.2 | 172.2 | 0 | 0 | 0 | 109.1 | F193 | I191-F193 PolarHBondContact O-N 3.04Š| ||
| 192 | G | 90 | Very high | 84.3 | Confident | 31 Ų | 31 | 69.5 Ų | 69.5 | 32% | 0.32 | 36% | 0.359 | S | S | . | . | trans | -51.2 | 126.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y175 | Y175-G192 VanDerWaalsContact CE1-CA 3.46Š| ||
| 193 | F | 94 | Very high | 84.4 | Confident | 67 Ų | 67 | 70.3 Ų | 70.3 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 113.2 | -177.5 | 178.1 | -100.6 | 0 | 0 | 0 | 110.3 | L116 A118 V174 I191 I195 | L116-F193 HydrophobicContact CD2-CB 3.94Å; L116-F193 HydrophobicContact CD2-CD1 3.09Å; L116-F193 HydrophobicContact CD2-CD2 4.25Å; L116-F193 HydrophobicContact CD2-CE1 3.46Å; L116-F193 VanDerWaalsContact CD2-CE1 3.46Å; L116-F193 HydrophobicContact CD2-CG 3.51Å; L116-F193 HydrophobicContact CD2-CZ 4.22Å; L116-F193 HydrophobicContact CG-CD1 4.49Å; L116-F193 WeakPolarHBondContact O-CE2 3.26Å; A118-F193 HydrophobicContact CB-CE1 3.99Å; V174-F193 HydrophobicContact CB-CB 4.35Å; V174-F193 WeakPolarHBondContact CB-O 3.21Å; V174-F193 HydrophobicContact CG2-CD1 4.42Å; V174-F193 WeakPolarHBondContact CG2-O 3.25Å; V174-F193 PolarHBondContact N-O 2.96Å; V174-F193 PolarHBondContact O-N 2.86Å; I191-F193 PolarHBondContact O-N 3.04Å; F193-I195 HydrophobicContact CD1-CG2 3.51Å; F193-I195 HydrophobicContact CE1-CG2 3.28Å; F193-I195 HydrophobicContact CZ-CG2 4.39Å |
| 194 | D | 95.9 | Very high | 84.3 | Confident | 103 Ų | 103 | 65.5 Ų | 65.5 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 129.4 | -178.8 | -69 | -22.9 | 0 | 0 | 0 | 111.7 | T171 Y172 T173 | T171-D194 HydrophobicContact CG2-CB 4.05Å; Y172-D194 WeakPolarHBondContact O-CA 3.2Å; T173-D194 WeakPolarHBondContact CA-OD1 3.3Å; T173-D194 VanDerWaalsContact CB-OD1 3.28Å; T173-D194 WeakPolarHBondContact CB-OD1 3.29Å; T173-D194 WeakPolarHBondContact CG2-OD1 3.06Å; T173-D194 PolarHBondContact OG1-OD1 2.97Å |
| 195 | I | 94.6 | Very high | 84.3 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.5 | 173.2 | 58.3 | 162 | 0 | 0 | 0 | 109.5 | A118 T125 I127 L146 L166 T171 Y172 V174 F193 | A118-I195 HydrophobicContact CB-CB 4.34Å; A118-I195 HydrophobicContact CB-CG2 3.44Å; A118-I195 VanDerWaalsContact CB-CG2 3.44Å; T125-I195 HydrophobicContact CG2-CD1 3.8Å; I127-I195 HydrophobicContact CD1-CD1 4.3Å; L146-I195 HydrophobicContact CD2-CD1 3.98Å; L166-I195 HydrophobicContact CD1-CD1 3.61Å; T171-I195 CarbonylContact C-O 3.52Å; T171-I195 VanDerWaalsContact CA-O 3.23Å; T171-I195 WeakPolarHBondContact CA-O 3.33Å; Y172-I195 PolarHBondContact N-O 3.38Å; Y172-I195 VanDerWaalsContact O-CG1 3.29Å; Y172-I195 WeakPolarHBondContact O-CG1 3.29Å; Y172-I195 PolarHBondContact O-N 3.13Å; V174-I195 HydrophobicContact CG2-CD1 4.07Å; V174-I195 HydrophobicContact CG2-CG1 3.93Å; V174-I195 HydrophobicContact CG2-CG2 4.13Å; F193-I195 HydrophobicContact CD1-CG2 3.51Å; F193-I195 HydrophobicContact CE1-CG2 3.28Å; F193-I195 HydrophobicContact CZ-CG2 4.39Å |
| 196 | R | 94.1 | Very high | 84.5 | Confident | 178 Ų | 178 | 71.8 Ų | 71.8 | 67% | 0.672 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 114.5 | 173.6 | -176 | 178.1 | -175.5 | 126.4 | 4.4 | 109.6 | Y120 P198 | Y120-R196 VanDerWaalsContact CZ-O 3.27Å; Y120-R196 PolarHBondContact OH-O 3.19Å; R196-P198 WeakPolarHBondContact O-CD 3.38Å |
| 197 | V | 92.6 | Very high | 85.9 | Confident | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.048 | 34% | 0.341 | C | S | . | . | trans | -70 | 120.3 | 178.9 | -170.6 | 0 | 0 | 0 | 0 | 109 | Y120 L166 T167 K168 G169 N170 Y172 | Y120-V197 HydrophobicContact CE1-CB 4.25Å; Y120-V197 HydrophobicContact CE1-CG1 4.09Å; Y120-V197 HydrophobicContact CE1-CG2 4.3Å; Y120-V197 PolarHBondContact OH-N 3.08Å; L166-V197 HydrophobicContact CB-CG2 3.67Å; L166-V197 HydrophobicContact CD1-CG2 4.08Å; T167-V197 WeakPolarHBondContact O-CB 3.46Å; K168-V197 HydrophobicContact CG-CG1 4.32Å; G169-V197 WeakPolarHBondContact CA-O 3.49Å; G169-V197 PolarHBondContact N-O 3.06Å; N170-V197 PolarHBondContact O-N 3.23Å; Y172-V197 HydrophobicContact CD2-CG2 3.88Å; Y172-V197 HydrophobicContact CE2-CG2 3.81Å | ||
| 198 | P | 90.1 | Very high | 87.3 | Confident | 115 Ų | 115 | 73.1 Ų | 73.1 | 75% | 0.747 | 37% | 0.366 | S | S | * | . | trans | -69.7 | 0 | -178.9 | 31.3 | -35.5 | 0 | 0 | 0 | 112.8 | Y120 R196 | Y120-P198 HydrophobicContact CD1-CG 3.85Å; Y120-P198 HydrophobicContact CD2-CG 3.78Å; Y120-P198 HydrophobicContact CE1-CG 4.31Å; Y120-P198 HydrophobicContact CE2-CG 4.27Å; Y120-P198 VanDerWaalsContact CG-CD 3.45Å; Y120-P198 HydrophobicContact CG-CG 3.56Å; Y120-P198 VanDerWaalsContact CZ-CD 3.45Å; R196-P198 WeakPolarHBondContact O-CD 3.38Å |
Retrieved 198 of 198 residues in 841.4 ms
(Link to these results)