| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.7 | Very low | 31.3 | Very low | 255 Ų | 255 | 140.5 Ų | 140.5 | 100% | 1.256 | 80% | 0.797 | S | S | * | * | 0 | 97.7 | 0 | -72.2 | 170.4 | 175.7 | 0 | 0 | 107.1 | |||||
| 2 | G | 34.9 | Very low | 31.1 | Very low | 62 Ų | 62 | 135.8 Ų | 135.8 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | trans | -173.1 | 150.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 3 | F | 30.2 | Very low | 31.2 | Very low | 212 Ų | 212 | 134.3 Ų | 134.3 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | trans | 83.1 | 86.2 | -177 | -55.7 | -79.5 | 0 | 0 | 0 | 115.6 | ||||
| 4 | S | 30 | Very low | 31.4 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | -168 | 76.4 | 124 | -81.8 | 0 | 0 | 0 | 0 | 108.6 | L6 | S4-L6 VanDerWaalsContact C-N 3.33Å; S4-L6 PolarHBondContact O-N 2.86Å; S4-L6 VanDerWaalsContact O-N 3.12Å | |||
| 5 | S | 36.7 | Very low | 32.2 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -72.1 | 100.5 | 158.2 | -171.1 | 0 | 0 | 0 | 0 | 105.9 | V7 | S5-V7 VanDerWaalsContact C-N 3.28Å; S5-V7 PolarHBondContact O-N 2.9Å | ||
| 6 | L | 34.3 | Very low | 33.4 | Very low | 148 Ų | 148 | 131.1 Ų | 131.1 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | -58.3 | 95.8 | 167.8 | -104.9 | 109.4 | 0 | 0 | 0 | 107.5 | S4 K8 | S4-L6 VanDerWaalsContact C-N 3.33Å; S4-L6 PolarHBondContact O-N 2.86Å; S4-L6 VanDerWaalsContact O-N 3.12Å; L6-K8 PolarHBondContact O-N 3.47Å | ||
| 7 | V | 29.1 | Very low | 35 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | trans | -65.1 | 95.7 | 161 | 179.9 | 0 | 0 | 0 | 0 | 105.5 | S5 V9 | S5-V7 VanDerWaalsContact C-N 3.28Å; S5-V7 PolarHBondContact O-N 2.9Å; V7-V9 HydrophobicContact CG1-CG2 3.89Å; V7-V9 PolarHBondContact O-N 3.12Å | ||
| 8 | K | 28.5 | Very low | 37.5 | Very low | 182 Ų | 182 | 127.8 Ų | 127.8 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | -61.1 | 92.4 | 163.3 | -87.6 | -179.2 | 172 | 178.4 | 0 | 106.6 | L6 T10 | L6-K8 PolarHBondContact O-N 3.47Å; K8-T10 PolarHBondContact O-N 3.45Å | ||
| 9 | V | 26.1 | Very low | 40 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 67% | 0.673 | 72% | 0.724 | S | S | * | * | trans | -73.1 | 86.4 | 164.5 | -176.7 | 0 | 0 | 0 | 0 | 105.5 | V7 V11 | V7-V9 HydrophobicContact CG1-CG2 3.89Å; V7-V9 PolarHBondContact O-N 3.12Å; V9-V11 VanDerWaalsContact C-N 3.28Å; V9-V11 HydrophobicContact CG1-CG2 3.98Å; V9-V11 PolarHBondContact O-N 3.17Å | ||
| 10 | T | 30.8 | Very low | 42.3 | Very low | 116 Ų | 116 | 119.8 Ų | 119.8 | 71% | 0.712 | 69% | 0.691 | S | S | * | * | trans | -66.9 | 97 | 166.1 | -28.1 | 0 | 0 | 0 | 0 | 105.6 | K8 S12 | K8-T10 PolarHBondContact O-N 3.45Å; T10-S12 PolarHBondContact O-N 2.75Å | ||
| 11 | V | 27.4 | Very low | 44.4 | Very low | 117 Ų | 117 | 117 Ų | 117 | 71% | 0.709 | 68% | 0.675 | S | S | * | * | trans | -70.3 | 81.2 | 168.4 | -179.1 | 0 | 0 | 0 | 0 | 106.1 | V9 V13 | V9-V11 VanDerWaalsContact C-N 3.28Å; V9-V11 HydrophobicContact CG1-CG2 3.98Å; V9-V11 PolarHBondContact O-N 3.17Å; V11-V13 HydrophobicContact CG1-CG2 4.21Å; V11-V13 PolarHBondContact O-N 2.87Å; V11-V13 VanDerWaalsContact O-N 3.12Å | ||
| 12 | S | 28.9 | Very low | 46.8 | Very low | 85 Ų | 85 | 110.3 Ų | 110.3 | 59% | 0.594 | 64% | 0.636 | S | S | * | * | trans | -66.9 | 105 | 160.9 | -64.1 | 0 | 0 | 0 | 0 | 105.4 | T10 T14 | T10-S12 PolarHBondContact O-N 2.75Å; S12-T14 PolarHBondContact O-N 3.06Å; S12-T14 PolarHBondContact O-OG1 3.45Å | ||
| 13 | V | 31.8 | Very low | 49.3 | Very low | 116 Ų | 116 | 108.3 Ų | 108.3 | 70% | 0.703 | 61% | 0.612 | S | S | * | * | trans | -67.6 | 76.7 | 164.4 | -175.9 | 0 | 0 | 0 | 0 | 106.1 | V11 L15 | V11-V13 HydrophobicContact CG1-CG2 4.21Å; V11-V13 PolarHBondContact O-N 2.87Å; V11-V13 VanDerWaalsContact O-N 3.12Å; V13-L15 VanDerWaalsContact C-N 3.25Å; V13-L15 HydrophobicContact CG1-CD1 4.09Å; V13-L15 PolarHBondContact O-N 2.79Å | ||
| 14 | T | 34.7 | Very low | 52.2 | Low | 113 Ų | 113 | 98.7 Ų | 98.7 | 69% | 0.693 | 57% | 0.57 | S | S | * | * | trans | -70.1 | 95.9 | 158.7 | 21.2 | 0 | 0 | 0 | 0 | 104.6 | S12 A16 | S12-T14 PolarHBondContact O-N 3.06Å; S12-T14 PolarHBondContact O-OG1 3.45Å; T14-A16 VanDerWaalsContact C-N 3.27Å; T14-A16 PolarHBondContact O-N 3.12Å | ||
| 15 | L | 42.5 | Very low | 55.1 | Low | 145 Ų | 145 | 93.4 Ų | 93.4 | 76% | 0.759 | 53% | 0.533 | S | S | * | . | trans | -48.8 | 109.4 | 151.5 | -93.4 | 90.7 | 0 | 0 | 0 | 104.4 | V13 L17 | V13-L15 VanDerWaalsContact C-N 3.25Å; V13-L15 HydrophobicContact CG1-CD1 4.09Å; V13-L15 PolarHBondContact O-N 2.79Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 2.85Å | ||
| 16 | A | 52.1 | Low | 57.6 | Low | 94 Ų | 94 | 88 Ų | 88 | 78% | 0.777 | 50% | 0.495 | S | S | * | . | trans | -59.9 | 98.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | T14 K18 | T14-A16 VanDerWaalsContact C-N 3.27Å; T14-A16 PolarHBondContact O-N 3.12Å; A16-K18 PolarHBondContact O-N 2.97Å; A16-K18 VanDerWaalsContact O-N 3.17Å | ||
| 17 | L | 60.5 | Low | 60.2 | Low | 59 Ų | 59 | 83.1 Ų | 83.1 | 31% | 0.309 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -56 | 125.3 | 176.8 | -85.7 | 151.8 | 0 | 0 | 0 | 105.8 | L15 T19 P79 E82 | L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 2.85Å; L17-T19 PolarHBondContact O-N 2.97Å; L17-P79 VanDerWaalsContact CD2-O 3.22Å; L17-P79 WeakPolarHBondContact CD2-O 3.31Å; L17-E82 HydrophobicContact CB-CB 4.11Å; L17-E82 HydrophobicContact CB-CG 3.67Å; L17-E82 HydrophobicContact CD1-CG 4.15Å |
| 18 | K | 80.7 | Confident | 62.9 | Low | 144 Ų | 144 | 77.7 Ų | 77.7 | 63% | 0.626 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 143.2 | 176.6 | -172 | -180 | 177.2 | -171.9 | 0 | 107.9 | A16 C20 C81 E82 | A16-K18 PolarHBondContact O-N 2.97Å; A16-K18 VanDerWaalsContact O-N 3.17Å; K18-C20 PolarHBondContact O-N 3.25Å; K18-C81 CarbonylContact O-C 3.57Å; K18-C81 WeakPolarHBondContact O-CA 3.49Å; K18-C81 WeakPolarHBondContact O-CB 3.33Å; K18-E82 PolarHBondContact O-N 3.37Å |
| 19 | T | 83.9 | Confident | 65.6 | Low | 87 Ų | 87 | 69 Ų | 69 | 53% | 0.534 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -68.2 | 132.3 | 174 | 42 | 0 | 0 | 0 | 0 | 110.5 | L17 T21 E82 | L17-T19 PolarHBondContact O-N 2.97Å; T19-T21 PolarHBondContact O-N 2.91Å; T19-E82 CarbonylContact C-O 3.55Å; T19-E82 VanDerWaalsContact CA-O 3.3Å; T19-E82 WeakPolarHBondContact CA-O 3.3Å |
| 20 | C | 86 | Confident | 68.1 | Low | 8 Ų | 8 | 64.8 Ų | 64.8 | 5% | 0.054 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 131.7 | 179.3 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | K18 E24 C26 C81 E82 C114 | K18-C20 PolarHBondContact O-N 3.25Å; C20-E24 HydrophobicContact CB-CB 4.49Å; C20-C26 VanDerWaalsContact SG-CB 3.52Å; C20-C81 VanDerWaalsContact CA-SG 3.51Å; C20-C81 HydrophobicContact CB-CB 3.97Å; C20-C81 WeakPolarHBondContact CB-SG 3.03Å; C20-C81 WeakPolarHBondContact SG-CB 3.01Å; C20-C81 PolarHBondContact SG-O 3.34Å; C20-C81 VanDerWaalsContact SG-O 3.35Å; C20-C81 CovalentContact SG-SG 2.02Å; C20-C81 PolarHBondContact SG-SG 3.1Å; C20-E82 PolarHBondContact N-O 2.7Å; C20-C114 PolarHBondContact SG-SG 3.5Å |
| 21 | T | 86.8 | Confident | 70.3 | Confident | 60 Ų | 60 | 61.7 Ų | 61.7 | 37% | 0.368 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 164.3 | 166.1 | 64.4 | 0 | 0 | 0 | 0 | 111.1 | T19 T23 E24 | T19-T21 PolarHBondContact O-N 2.91Å; T21-T23 PolarHBondContact O-N 3.19Å; T21-T23 PolarHBondContact OG1-OG1 2.92Å; T21-E24 VanDerWaalsContact CB-OE2 3.3Å; T21-E24 WeakPolarHBondContact CB-OE2 3.4Å; T21-E24 VanDerWaalsContact CG2-OE2 3.31Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.12Å; T21-E24 PolarHBondContact N-OE2 3.09Å; T21-E24 PolarHBondContact O-N 2.7Å; T21-E24 VanDerWaalsContact OG1-CG 3.28Å; T21-E24 WeakPolarHBondContact OG1-CG 3.28Å; T21-E24 PolarHBondContact OG1-OE2 3.02Å |
| 22 | R | 86.3 | Confident | 72.3 | Confident | 115 Ų | 115 | 58.2 Ų | 58.2 | 43% | 0.434 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -32.6 | 177.7 | -171.6 | -179.8 | 90.8 | 168.2 | 10 | 114 | S119 | R22-S119 PolarHBondContact NE-O 3.35Å; R22-S119 PolarHBondContact NH1-O 2.95Å; R22-S119 VanDerWaalsContact NH1-O 3.1Å; R22-S119 PolarHBondContact NH2-O 3.17Å |
| 23 | T | 89.1 | Confident | 74 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 13% | 0.129 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -9.7 | -177.7 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | T21 L120 R155 I156 | T21-T23 PolarHBondContact O-N 3.19Å; T21-T23 PolarHBondContact OG1-OG1 2.92Å; T23-L120 HydrophobicContact CG2-CD2 4.44Å; T23-R155 CarbonylContact O-C 3.47Å; T23-R155 WeakPolarHBondContact O-CA 3.25Å; T23-R155 VanDerWaalsContact O-CG 3.25Å; T23-R155 WeakPolarHBondContact O-CG 2.98Å; T23-R155 PolarHBondContact OG1-NE 3.35Å; T23-R155 PolarHBondContact OG1-NH2 3.03Å; T23-I156 VanDerWaalsContact CA-O 3.28Å; T23-I156 WeakPolarHBondContact CA-O 3.28Å; T23-I156 WeakPolarHBondContact CB-O 3.3Å; T23-I156 WeakPolarHBondContact CG2-O 3.08Å; T23-I156 PolarHBondContact O-N 2.76Å; T23-I156 VanDerWaalsContact O-O 3.12Å |
| 24 | E | 90.4 | Very high | 75.3 | Confident | 10 Ų | 10 | 56.5 Ų | 56.5 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 134.7 | -178.4 | -76.2 | 164.3 | 152.1 | 0 | 0 | 110 | C20 T21 Q153 R155 | C20-E24 HydrophobicContact CB-CB 4.49Å; T21-E24 VanDerWaalsContact CB-OE2 3.3Å; T21-E24 WeakPolarHBondContact CB-OE2 3.4Å; T21-E24 VanDerWaalsContact CG2-OE2 3.31Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.12Å; T21-E24 PolarHBondContact N-OE2 3.09Å; T21-E24 PolarHBondContact O-N 2.7Å; T21-E24 VanDerWaalsContact OG1-CG 3.28Å; T21-E24 WeakPolarHBondContact OG1-CG 3.28Å; T21-E24 PolarHBondContact OG1-OE2 3.02Å; E24-Q153 PolarHBondContact OE1-NE2 3.16Å; E24-R155 HydrophobicContact CG-CG 4.3Å |
| 25 | A | 90.7 | Very high | 76.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 139.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | F80 L111 V112 L113 A154 | A25-F80 WeakPolarHBondContact O-CD2 3.28Å; A25-L111 HydrophobicContact CB-CB 4Å; A25-L111 HydrophobicContact CB-CD1 4.4Å; A25-L111 HydrophobicContact CB-CD2 4.25Å; A25-L111 HydrophobicContact CB-CG 4.45Å; A25-V112 CarbonylContact C-O 3.57Å; A25-V112 VanDerWaalsContact CA-O 3.26Å; A25-V112 WeakPolarHBondContact CA-O 2.99Å; A25-V112 WeakPolarHBondContact CB-O 3.15Å; A25-L113 HydrophobicContact CB-CD2 3.86Å; A25-A154 HydrophobicContact CB-CB 3.92Å; A25-A154 PolarHBondContact N-O 2.78Å |
| 26 | C | 89.9 | Confident | 76.4 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -25.5 | 177.3 | 70.8 | 0 | 0 | 0 | 0 | 111.7 | C20 P79 F80 C90 V112 C114 | C20-C26 VanDerWaalsContact SG-CB 3.52Å; C26-P79 CarbonylContact O-C 3.59Å; C26-P79 WeakPolarHBondContact O-CA 3.22Å; C26-F80 PolarHBondContact O-N 2.9Å; C26-C90 HydrophobicContact CB-CB 3.6Å; C26-C90 WeakPolarHBondContact CB-SG 2.93Å; C26-C90 WeakPolarHBondContact SG-CB 3.44Å; C26-C90 CovalentContact SG-SG 2.02Å; C26-C90 PolarHBondContact SG-SG 3.12Å; C26-V112 PolarHBondContact N-O 2.78Å; C26-V112 PolarHBondContact SG-O 3.45Å; C26-V112 VanDerWaalsContact SG-O 3.39Å; C26-C114 VanDerWaalsContact CB-SG 3.5Å |
| 27 | R | 87.4 | Confident | 76 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 17% | 0.174 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 164.6 | 169 | 63.1 | 176.1 | 36.7 | 161.3 | -1.8 | 112.7 | V29 S77 V112 | R27-V29 HydrophobicContact CG-CG2 4.45Å; R27-S77 PolarHBondContact NE-O 2.02Å; R27-V112 HydrophobicContact CG-CB 3.65Å; R27-V112 HydrophobicContact CG-CG1 4.35Å; R27-V112 HydrophobicContact CG-CG2 3.72Å; R27-V112 PolarHBondContact N-O 3.39Å; R27-V112 PolarHBondContact O-N 3.06Å |
| 28 | I | 86.5 | Confident | 75 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 145.1 | 167.7 | -68.9 | 161.5 | 0 | 0 | 0 | 108.6 | E30 S77 F80 V109 L111 L133 F151 A154 | I28-E30 HydrophobicContact CG2-CG 4.17Å; I28-S77 PolarHBondContact N-OG 3.39Å; I28-S77 PolarHBondContact O-N 2.03Å; I28-S77 PolarHBondContact O-OG 2.87Å; I28-F80 HydrophobicContact CB-CE2 4.37Å; I28-F80 HydrophobicContact CB-CZ 4.12Å; I28-F80 HydrophobicContact CD1-CE2 3.98Å; I28-F80 HydrophobicContact CD1-CZ 3.71Å; I28-F80 HydrophobicContact CG1-CE2 3.77Å; I28-F80 HydrophobicContact CG1-CZ 3.81Å; I28-V109 HydrophobicContact CG2-CG1 3.94Å; I28-L111 HydrophobicContact CD1-CD2 4.44Å; I28-L111 HydrophobicContact CG1-CD2 3.54Å; I28-L133 HydrophobicContact CD1-CD1 4.39Å; I28-L133 HydrophobicContact CD1-CD2 4.06Å; I28-F151 HydrophobicContact CD1-CB 3.59Å; I28-F151 HydrophobicContact CD1-CD1 4.28Å; I28-F151 HydrophobicContact CD1-CD2 3.71Å; I28-F151 HydrophobicContact CD1-CE2 4.44Å; I28-F151 HydrophobicContact CD1-CG 3.61Å; I28-A154 HydrophobicContact CD1-CB 3.96Å; I28-A154 HydrophobicContact CG1-CB 4Å |
| 29 | V | 84.2 | Confident | 72.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134 | 173.1 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | R27 T74 I75 A76 Y92 N110 V112 | R27-V29 HydrophobicContact CG-CG2 4.45Å; V29-T74 HydrophobicContact CG1-CG2 3.21Å; V29-I75 CarbonylContact C-O 3.44Å; V29-I75 WeakPolarHBondContact CA-O 3.26Å; V29-A76 HydrophobicContact CG2-CB 3.84Å; V29-Y92 HydrophobicContact CB-CD2 4.09Å; V29-Y92 HydrophobicContact CB-CE2 4.12Å; V29-Y92 HydrophobicContact CB-CG 4.33Å; V29-Y92 HydrophobicContact CG1-CD1 3.97Å; V29-Y92 HydrophobicContact CG1-CD2 4.21Å; V29-Y92 HydrophobicContact CG1-CE1 3.81Å; V29-Y92 HydrophobicContact CG1-CE2 4.03Å; V29-Y92 HydrophobicContact CG1-CG 4.16Å; V29-Y92 HydrophobicContact CG2-CD1 4.23Å; V29-Y92 HydrophobicContact CG2-CD2 3.63Å; V29-Y92 HydrophobicContact CG2-CE2 4.18Å; V29-Y92 HydrophobicContact CG2-CG 3.64Å; V29-N110 HydrophobicContact CB-CB 4.49Å; V29-N110 PolarHBondContact N-O 2.85Å; V29-N110 PolarHBondContact O-N 3.4Å; V29-V112 HydrophobicContact CG2-CG2 3.93Å |
| 30 | E | 78.8 | Confident | 70.6 | Confident | 23 Ų | 23 | 64.1 Ų | 64.1 | 11% | 0.107 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150.5 | 173.2 | -60.5 | -169.1 | -153.5 | 0 | 0 | 112.8 | I28 T74 I75 K108 V109 F147 | I28-E30 HydrophobicContact CG2-CG 4.17Å; E30-T74 CarbonylContact O-C 3.55Å; E30-T74 WeakPolarHBondContact O-CA 3.18Å; E30-I75 PolarHBondContact N-O 2.91Å; E30-I75 PolarHBondContact O-N 2.78Å; E30-K108 CarbonylContact C-O 3.5Å; E30-K108 WeakPolarHBondContact CA-O 3.43Å; E30-V109 HydrophobicContact CG-CB 4.18Å; E30-V109 HydrophobicContact CG-CG1 4.13Å; E30-V109 HydrophobicContact CG-CG2 3.83Å; E30-F147 HydrophobicContact CB-CE1 3.33Å; E30-F147 HydrophobicContact CB-CE2 4.36Å; E30-F147 HydrophobicContact CB-CZ 3.14Å; E30-F147 VanDerWaalsContact CD-CE1 3.43Å; E30-F147 HydrophobicContact CG-CE1 3.31Å; E30-F147 HydrophobicContact CG-CE2 4.49Å; E30-F147 HydrophobicContact CG-CZ 3.22Å; E30-F147 WeakPolarHBondContact OE1-CZ 3.44Å; E30-F147 WeakPolarHBondContact OE2-CZ 3.13Å |
| 31 | K | 77.4 | Confident | 67.9 | Low | 51 Ų | 51 | 71.9 Ų | 71.9 | 22% | 0.222 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.6 | 178.3 | -61.7 | -177.4 | 178.1 | -176.2 | 0 | 110 | T72 V73 T74 Y92 K108 | K31-T72 HydrophobicContact CB-CG2 4.15Å; K31-V73 CarbonylContact C-O 3.43Å; K31-V73 WeakPolarHBondContact CA-O 3.22Å; K31-T74 HydrophobicContact CG-CG2 4.34Å; K31-Y92 WeakPolarHBondContact CE-OH 3.39Å; K31-K108 PolarHBondContact N-O 3.29Å; K31-K108 WeakPolarHBondContact O-CB 3.26Å; K31-K108 WeakPolarHBondContact O-CG 3.24Å |
| 32 | H | 70 | Confident | 65.2 | Low | 44 Ų | 44 | 73.6 Ų | 73.6 | 20% | 0.204 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 133.4 | 177.7 | -65.1 | -75.9 | 0 | 0 | 0 | 110.1 | T72 V73 F147 | H32-T72 CarbonylContact O-C 3.41Å; H32-T72 VanDerWaalsContact O-CA 3.28Å; H32-T72 WeakPolarHBondContact O-CA 3.15Å; H32-T72 WeakPolarHBondContact O-CG2 3.07Å; H32-V73 PolarHBondContact N-O 2.78Å; H32-V73 PolarHBondContact O-N 2.91Å; H32-F147 AromaticContact CE1-CE2 3.49Å; H32-F147 VanDerWaalsContact CE1-CE2 3.49Å; H32-F147 WeakPolarHBondContact CE1-CE2 3.21Å; H32-F147 AromaticContact CE1-CZ 3.85Å; H32-F147 AromaticContact NE2-CD2 3.76Å; H32-F147 AromaticContact NE2-CE2 2.97Å; H32-F147 WeakPolarHBondContact NE2-CE2 3.18Å; H32-F147 AromaticContact NE2-CZ 3.1Å; H32-F147 WeakPolarHBondContact NE2-CZ 3.36Å |
| 33 | N | 65 | Low | 62.7 | Low | 57 Ų | 57 | 77.8 Ų | 77.8 | 31% | 0.305 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 119.6 | 170.8 | -64 | -33.9 | 0 | 0 | 0 | 107.8 | A35 E36 T72 | N33-A35 PolarHBondContact O-N 2.02Å; N33-A35 VanDerWaalsContact O-N 3.07Å; N33-E36 PolarHBondContact O-N 3.47Å; N33-T72 PolarHBondContact OD1-OG1 3.35Å |
| 34 | L | 57.9 | Low | 60.2 | Low | 107 Ų | 107 | 82.5 Ų | 82.5 | 56% | 0.56 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -60.7 | -15.9 | 174.5 | -83.7 | 145.3 | 0 | 0 | 0 | 113 | A71 V73 | L34-A71 HydrophobicContact CB-CB 4.19Å; L34-A71 WeakPolarHBondContact CB-O 3.42Å; L34-A71 HydrophobicContact CD1-CB 3.49Å; L34-A71 VanDerWaalsContact CD1-CB 3.49Å; L34-A71 HydrophobicContact CG-CB 4.48Å; L34-A71 PolarHBondContact N-O 2.88Å; L34-V73 HydrophobicContact CD1-CG2 3.24Å; L34-V73 HydrophobicContact CD2-CG2 4.25Å; L34-V73 HydrophobicContact CG-CG2 3.59Å |
| 35 | A | 51 | Low | 57.3 | Low | 55 Ų | 55 | 86.3 Ų | 86.3 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -85.4 | -4.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N33 K70 | N33-A35 PolarHBondContact O-N 2.02Å; N33-A35 VanDerWaalsContact O-N 3.07Å; A35-K70 HydrophobicContact CB-CB 4.33Å; A35-K70 HydrophobicContact CB-CG 4.16Å |
| 36 | E | 48.9 | Very low | 54.7 | Low | 135 Ų | 135 | 91.6 Ų | 91.6 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -110.3 | 5.5 | -175.2 | -87.4 | -178 | 149.2 | 0 | 0 | 114.8 | N33 | N33-E36 PolarHBondContact O-N 3.47Š|
| 37 | E | 45 | Very low | 51.8 | Low | 177 Ų | 177 | 95 Ų | 95 | 83% | 0.827 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -109.2 | 16.8 | 177.5 | -70.1 | -164.7 | 146.1 | 0 | 0 | 114.5 | ||
| 38 | T | 38.5 | Very low | 49.2 | Very low | 123 Ų | 123 | 98.8 Ų | 98.8 | 76% | 0.755 | 58% | 0.575 | S | S | * | * | trans | -120.8 | 48.3 | 174.2 | 49.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 39 | D | 34.8 | Very low | 46.4 | Very low | 157 Ų | 157 | 102.2 Ų | 102.2 | 84% | 0.84 | 61% | 0.611 | S | S | * | * | trans | -130.1 | 34.5 | 169.2 | -123.8 | -28 | 0 | 0 | 0 | 111.5 | ||||
| 40 | D | 37.5 | Very low | 44.2 | Very low | 156 Ų | 156 | 110.4 Ų | 110.4 | 83% | 0.834 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -118.4 | 113.4 | 157.1 | -91.9 | -55.4 | 0 | 0 | 0 | 108.3 | S42 | D40-S42 VanDerWaalsContact C-N 3.35Å; D40-S42 PolarHBondContact O-N 2.79Å |
| 41 | D | 30.4 | Very low | 41.9 | Very low | 171 Ų | 171 | 114.2 Ų | 114.2 | 91% | 0.914 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -51.3 | 83 | 173.3 | -78 | -62.5 | 0 | 0 | 0 | 112.7 | ||
| 42 | S | 29.3 | Very low | 39.9 | Very low | 96 Ų | 96 | 117.6 Ų | 117.6 | 67% | 0.671 | 71% | 0.713 | S | S | * | * | trans | -178.2 | 93.6 | 152.4 | 55 | 0 | 0 | 0 | 0 | 112.6 | D40 | D40-S42 VanDerWaalsContact C-N 3.35Å; D40-S42 PolarHBondContact O-N 2.79Å | ||
| 43 | F | 34.1 | Very low | 38 | Very low | 203 Ų | 203 | 119 Ų | 119 | 89% | 0.89 | 74% | 0.74 | S | S | * | * | trans | -111.6 | 85.1 | 146.7 | -155.7 | -99.3 | 0 | 0 | 0 | 108.4 | A45 | F43-A45 PolarHBondContact O-N 2.88Š| ||
| 44 | V | 35.5 | Very low | 36.3 | Very low | 119 Ų | 119 | 124.2 Ų | 124.2 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | trans | -59.5 | 120.6 | 165.9 | -121.4 | 0 | 0 | 0 | 0 | 107.5 | S46 | V44-S46 PolarHBondContact O-N 3.23Å; V44-S46 VanDerWaalsContact O-N 3.11Å | ||
| 45 | A | 31.1 | Very low | 34.9 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -51.8 | 116.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | F43 | F43-A45 PolarHBondContact O-N 2.88Š| ||
| 46 | S | 35 | Very low | 33.9 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -152.4 | 90.9 | 160.4 | -78.3 | 0 | 0 | 0 | 0 | 108.7 | V44 | V44-S46 PolarHBondContact O-N 3.23Å; V44-S46 VanDerWaalsContact O-N 3.11Å | ||
| 47 | G | 30.5 | Very low | 33 | Very low | 72 Ų | 72 | 134.3 Ų | 134.3 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | -67.1 | 134.7 | 155 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 48 | S | 31.6 | Very low | 32.5 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | 170.1 | 110.1 | 144.4 | -76.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 49 | G | 28.4 | Very low | 32.5 | Very low | 74 Ų | 74 | 129.1 Ų | 129.1 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | 88.8 | 153.8 | 142.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 50 | L | 36.7 | Very low | 32.6 | Very low | 173 Ų | 173 | 125.9 Ų | 125.9 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | 95.1 | 87.4 | 170.9 | -49.9 | 172.8 | 0 | 0 | 0 | 113.5 | ||||
| 51 | S | 31.9 | Very low | 32.6 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | 63.3 | 107.3 | 69.8 | -175.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 52 | S | 34.3 | Very low | 33.1 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | 52.6 | 111.2 | 140.1 | -43 | 0 | 0 | 0 | 0 | 119 | ||||
| 53 | G | 31.3 | Very low | 33.5 | Very low | 74 Ų | 74 | 125.9 Ų | 125.9 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | -173.8 | 81.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S55 | G53-S55 PolarHBondContact O-N 3.41Š| ||
| 54 | D | 29.5 | Very low | 33.4 | Very low | 167 Ų | 167 | 125.4 Ų | 125.4 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | trans | -56.2 | 114.7 | 162.4 | -87.3 | -48.1 | 0 | 0 | 0 | 109.4 | ||||
| 55 | S | 27.6 | Very low | 33.5 | Very low | 104 Ų | 104 | 125 Ų | 125 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 150 | 62.6 | 149.9 | 53.5 | 0 | 0 | 0 | 0 | 114 | G53 | G53-S55 PolarHBondContact O-N 3.41Š| ||
| 56 | F | 31 | Very low | 33.5 | Very low | 205 Ų | 205 | 133 Ų | 133 | 90% | 0.899 | 77% | 0.767 | S | S | * | * | trans | -137.5 | 85 | 159.2 | -83.3 | -83.6 | 0 | 0 | 0 | 109.9 | S58 | F56-S58 PolarHBondContact O-N 3.11Š| ||
| 57 | Q | 29.3 | Very low | 33.5 | Very low | 199 Ų | 199 | 130.2 Ų | 130.2 | 93% | 0.93 | 76% | 0.756 | S | S | * | * | trans | -82.8 | 74.6 | 159.3 | -84.4 | -170.4 | -15.8 | 0 | 0 | 108.3 | ||||
| 58 | S | 35.1 | Very low | 34.1 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 51% | 0.51 | 77% | 0.767 | S | S | . | * | trans | -78.8 | 123.5 | 153.8 | -147.3 | 0 | 0 | 0 | 0 | 105.9 | F56 L60 | F56-S58 PolarHBondContact O-N 3.11Å; S58-L60 PolarHBondContact O-N 2.65Å | ||
| 59 | S | 36.7 | Very low | 34.6 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -70.1 | 71.6 | 175.7 | -50.9 | 0 | 0 | 0 | 0 | 109.7 | E61 | S59-E61 PolarHBondContact O-N 3.42Å; S59-E61 VanDerWaalsContact O-N 3.14Å | ||
| 60 | L | 37.9 | Very low | 35.6 | Very low | 88 Ų | 88 | 138.5 Ų | 138.5 | 46% | 0.461 | 76% | 0.755 | S | S | . | * | trans | -73.4 | 92.6 | 167.3 | -102.6 | 144.8 | 0 | 0 | 0 | 107.2 | S58 M62 V73 | S58-L60 PolarHBondContact O-N 2.65Å; L60-M62 HydrophobicContact CB-CE 4.02Å; L60-M62 HydrophobicContact CB-CG 4.32Å; L60-M62 HydrophobicContact CD1-CE 3.98Å; L60-M62 HydrophobicContact CD2-CE 3.72Å; L60-M62 HydrophobicContact CD2-CG 4.01Å; L60-M62 HydrophobicContact CG-CE 4.11Å; L60-M62 PolarHBondContact O-N 3.39Å; L60-V73 HydrophobicContact CD2-CG1 3.91Å | ||
| 61 | E | 37.4 | Very low | 36.5 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 67% | 0.673 | 73% | 0.731 | S | S | * | * | trans | -71.9 | 83.4 | 160.7 | -76.9 | -173.1 | 109.4 | 0 | 0 | 107.8 | S59 Q63 | S59-E61 PolarHBondContact O-N 3.42Å; S59-E61 VanDerWaalsContact O-N 3.14Å; E61-Q63 PolarHBondContact O-N 2.94Å; E61-Q63 VanDerWaalsContact O-N 3.16Å | ||
| 62 | M | 41.1 | Very low | 37.9 | Very low | 138 Ų | 138 | 131 Ų | 131 | 68% | 0.68 | 72% | 0.717 | S | S | * | * | trans | -71.5 | 102.1 | 167.9 | -68.1 | 166.3 | -174.4 | 0 | 0 | 107.4 | L60 E64 | L60-M62 HydrophobicContact CB-CE 4.02Å; L60-M62 HydrophobicContact CB-CG 4.32Å; L60-M62 HydrophobicContact CD1-CE 3.98Å; L60-M62 HydrophobicContact CD2-CE 3.72Å; L60-M62 HydrophobicContact CD2-CG 4.01Å; L60-M62 HydrophobicContact CG-CE 4.11Å; L60-M62 PolarHBondContact O-N 3.39Å; M62-E64 VanDerWaalsContact C-N 3.32Å; M62-E64 PolarHBondContact O-N 3.26Å | ||
| 63 | Q | 37.5 | Very low | 39.6 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 66% | 0.659 | 68% | 0.683 | S | S | * | * | trans | -72.7 | 91.8 | 170.2 | -151.4 | 169.5 | 22.8 | 0 | 0 | 107.8 | E61 L65 | E61-Q63 PolarHBondContact O-N 2.94Å; E61-Q63 VanDerWaalsContact O-N 3.16Å; Q63-L65 VanDerWaalsContact C-N 3.25Å; Q63-L65 HydrophobicContact CG-CD1 4Å; Q63-L65 HydrophobicContact CG-CG 4.25Å; Q63-L65 PolarHBondContact O-N 3.11Å | ||
| 64 | E | 32.6 | Very low | 41.5 | Very low | 193 Ų | 193 | 125.2 Ų | 125.2 | 90% | 0.902 | 66% | 0.661 | S | S | * | * | trans | -64.2 | 85 | 170.4 | -94.2 | -172 | 126.1 | 0 | 0 | 109.3 | M62 | M62-E64 VanDerWaalsContact C-N 3.32Å; M62-E64 PolarHBondContact O-N 3.26Å | ||
| 65 | L | 37.2 | Very low | 43.6 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 58% | 0.581 | 63% | 0.631 | S | S | * | * | trans | -94.1 | 105.1 | 169.2 | -80.6 | 157.7 | 0 | 0 | 0 | 108.4 | Q63 G67 | Q63-L65 VanDerWaalsContact C-N 3.25Å; Q63-L65 HydrophobicContact CG-CD1 4Å; Q63-L65 HydrophobicContact CG-CG 4.25Å; Q63-L65 PolarHBondContact O-N 3.11Å; L65-G67 PolarHBondContact O-N 3.38Å | ||
| 66 | R | 31.9 | Very low | 45.8 | Very low | 259 Ų | 259 | 116.8 Ų | 116.8 | 98% | 0.977 | 61% | 0.614 | S | S | * | * | trans | -61.8 | 100.6 | 166.2 | -73.7 | -175.5 | -178.8 | -170.7 | 0.8 | 108.9 | ||||
| 67 | G | 34.2 | Very low | 48 | Very low | 52 Ų | 52 | 107.7 Ų | 107.7 | 54% | 0.536 | 58% | 0.575 | S | S | . | * | S | Bend | trans | 165.2 | 153.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L65 E69 | L65-G67 PolarHBondContact O-N 3.38Å; G67-E69 PolarHBondContact O-N 2.87Å |
| 68 | S | 42.2 | Very low | 50.3 | Low | 138 Ų | 138 | 103.9 Ų | 103.9 | 97% | 0.965 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -67.8 | 41.7 | 175.5 | -176.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 69 | E | 42 | Very low | 52.6 | Low | 151 Ų | 151 | 102.5 Ų | 102.5 | 71% | 0.706 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -106.9 | 124.1 | 177.6 | -71.7 | -171 | 134.6 | 0 | 0 | 108.4 | G67 A71 | G67-E69 PolarHBondContact O-N 2.87Å; E69-A71 PolarHBondContact O-N 2.95Å |
| 70 | K | 50.4 | Low | 54.9 | Low | 156 Ų | 156 | 98.7 Ų | 98.7 | 68% | 0.678 | 52% | 0.519 | S | S | * | . | trans | -45 | 103 | -175.8 | -61.8 | 174.8 | 178.6 | -173.6 | 0 | 110.8 | A35 T72 | A35-K70 HydrophobicContact CB-CB 4.33Å; A35-K70 HydrophobicContact CB-CG 4.16Å; K70-T72 PolarHBondContact O-N 3.03Å; K70-T72 VanDerWaalsContact O-N 3.13Å; K70-T72 PolarHBondContact O-OG1 2.04Å | ||
| 71 | A | 56.2 | Low | 57.2 | Low | 49 Ų | 49 | 94.8 Ų | 94.8 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | trans | -59.6 | 120.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | L34 E69 | L34-A71 HydrophobicContact CB-CB 4.19Å; L34-A71 WeakPolarHBondContact CB-O 3.42Å; L34-A71 HydrophobicContact CD1-CB 3.49Å; L34-A71 VanDerWaalsContact CD1-CB 3.49Å; L34-A71 HydrophobicContact CG-CB 4.48Å; L34-A71 PolarHBondContact N-O 2.88Å; E69-A71 PolarHBondContact O-N 2.95Å | ||
| 72 | T | 61.2 | Low | 59.6 | Low | 69 Ų | 69 | 92.7 Ų | 92.7 | 42% | 0.423 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 116.6 | -179.5 | -46.8 | 0 | 0 | 0 | 0 | 108.1 | K31 H32 N33 K70 | K31-T72 HydrophobicContact CB-CG2 4.15Å; H32-T72 CarbonylContact O-C 3.41Å; H32-T72 VanDerWaalsContact O-CA 3.28Å; H32-T72 WeakPolarHBondContact O-CA 3.15Å; H32-T72 WeakPolarHBondContact O-CG2 3.07Å; N33-T72 PolarHBondContact OD1-OG1 3.35Å; K70-T72 PolarHBondContact O-N 3.03Å; K70-T72 VanDerWaalsContact O-N 3.13Å; K70-T72 PolarHBondContact O-OG1 2.04Å |
| 73 | V | 68.7 | Low | 61.8 | Low | 24 Ų | 24 | 87.1 Ų | 87.1 | 15% | 0.145 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 130.4 | 174.3 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | K31 H32 L34 L60 I75 | K31-V73 CarbonylContact C-O 3.43Å; K31-V73 WeakPolarHBondContact CA-O 3.22Å; H32-V73 PolarHBondContact N-O 2.78Å; H32-V73 PolarHBondContact O-N 2.91Å; L34-V73 HydrophobicContact CD1-CG2 3.24Å; L34-V73 HydrophobicContact CD2-CG2 4.25Å; L34-V73 HydrophobicContact CG-CG2 3.59Å; L60-V73 HydrophobicContact CD2-CG1 3.91Å; V73-I75 HydrophobicContact CG1-CD1 4.49Å; V73-I75 HydrophobicContact CG1-CG1 3.87Å |
| 74 | T | 71.2 | Confident | 64.1 | Low | 50 Ų | 50 | 81.8 Ų | 81.8 | 31% | 0.307 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 122 | 170.1 | -57.5 | 0 | 0 | 0 | 0 | 108.6 | V29 E30 K31 Y92 | V29-T74 HydrophobicContact CG1-CG2 3.21Å; E30-T74 CarbonylContact O-C 3.55Å; E30-T74 WeakPolarHBondContact O-CA 3.18Å; K31-T74 HydrophobicContact CG-CG2 4.34Å; T74-Y92 HydrophobicContact CG2-CD1 4.4Å; T74-Y92 HydrophobicContact CG2-CE1 3.8Å |
| 75 | I | 73.4 | Confident | 66.5 | Low | 49 Ų | 49 | 78.5 Ų | 78.5 | 25% | 0.251 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.6 | 179.2 | -52.3 | 176.7 | 0 | 0 | 0 | 107.9 | V29 E30 V73 F147 | V29-I75 CarbonylContact C-O 3.44Å; V29-I75 WeakPolarHBondContact CA-O 3.26Å; E30-I75 PolarHBondContact N-O 2.91Å; E30-I75 PolarHBondContact O-N 2.78Å; V73-I75 HydrophobicContact CG1-CD1 4.49Å; V73-I75 HydrophobicContact CG1-CG1 3.87Å; I75-F147 HydrophobicContact CB-CD1 4.02Å; I75-F147 HydrophobicContact CB-CE1 4.36Å; I75-F147 HydrophobicContact CB-CG 4.31Å; I75-F147 HydrophobicContact CD1-CB 4.43Å; I75-F147 HydrophobicContact CD1-CD2 4.46Å; I75-F147 HydrophobicContact CD1-CG 4.33Å; I75-F147 HydrophobicContact CG2-CB 3.75Å; I75-F147 HydrophobicContact CG2-CD1 3.72Å; I75-F147 HydrophobicContact CG2-CG 3.9Å |
| 76 | A | 75.3 | Confident | 68.7 | Low | 45 Ų | 45 | 80.4 Ų | 80.4 | 37% | 0.372 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 139.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V29 | V29-A76 HydrophobicContact CG2-CB 3.84Å |
| 77 | S | 77 | Confident | 71.1 | Confident | 13 Ų | 13 | 70.1 Ų | 70.1 | 9% | 0.091 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 159.9 | 170.4 | 75.9 | 0 | 0 | 0 | 0 | 111 | R27 I28 F80 | R27-S77 PolarHBondContact NE-O 2.02Å; I28-S77 PolarHBondContact N-OG 3.39Å; I28-S77 PolarHBondContact O-N 2.03Å; I28-S77 PolarHBondContact O-OG 2.87Å; S77-F80 WeakPolarHBondContact OG-CE1 3.01Å; S77-F80 VanDerWaalsContact OG-CZ 3.25Å; S77-F80 WeakPolarHBondContact OG-CZ 3.47Å |
| 78 | D | 77.7 | Confident | 73.4 | Confident | 119 Ų | 119 | 72.3 Ų | 72.3 | 64% | 0.636 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 149.9 | 160.6 | -71.6 | -40.2 | 0 | 0 | 0 | 110.4 | F80 | D78-F80 PolarHBondContact O-N 2.79Š|
| 79 | P | 83.5 | Confident | 75.3 | Confident | 45 Ų | 45 | 70.7 Ų | 70.7 | 29% | 0.292 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 128.4 | 177.4 | 21.9 | -21.8 | 0 | 0 | 0 | 110.3 | L17 C26 C81 | L17-P79 VanDerWaalsContact CD2-O 3.22Å; L17-P79 WeakPolarHBondContact CD2-O 3.31Å; C26-P79 CarbonylContact O-C 3.59Å; C26-P79 WeakPolarHBondContact O-CA 3.22Å; P79-C81 VanDerWaalsContact C-N 3.34Å |
| 80 | F | 84.5 | Confident | 77.2 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 17% | 0.167 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -75.4 | -26.8 | 178 | -50 | -48.7 | 0 | 0 | 0 | 112.7 | A25 C26 I28 S77 D78 F151 T152 A154 | A25-F80 WeakPolarHBondContact O-CD2 3.28Å; C26-F80 PolarHBondContact O-N 2.9Å; I28-F80 HydrophobicContact CB-CE2 4.37Å; I28-F80 HydrophobicContact CB-CZ 4.12Å; I28-F80 HydrophobicContact CD1-CE2 3.98Å; I28-F80 HydrophobicContact CD1-CZ 3.71Å; I28-F80 HydrophobicContact CG1-CE2 3.77Å; I28-F80 HydrophobicContact CG1-CZ 3.81Å; S77-F80 WeakPolarHBondContact OG-CE1 3.01Å; S77-F80 VanDerWaalsContact OG-CZ 3.25Å; S77-F80 WeakPolarHBondContact OG-CZ 3.47Å; D78-F80 PolarHBondContact O-N 2.79Å; F80-F151 HydrophobicContact CE1-CB 4.45Å; F80-F151 WeakPolarHBondContact CE1-O 3.04Å; F80-F151 HydrophobicContact CZ-CB 4.25Å; F80-T152 WeakPolarHBondContact CD1-O 3.45Å; F80-A154 HydrophobicContact CE2-CB 4.09Å |
| 81 | C | 86.6 | Confident | 78.6 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 5% | 0.047 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -154.8 | 157 | -174.6 | 52.9 | 0 | 0 | 0 | 0 | 110 | K18 C20 P79 | K18-C81 CarbonylContact O-C 3.57Å; K18-C81 WeakPolarHBondContact O-CA 3.49Å; K18-C81 WeakPolarHBondContact O-CB 3.33Å; C20-C81 VanDerWaalsContact CA-SG 3.51Å; C20-C81 HydrophobicContact CB-CB 3.97Å; C20-C81 WeakPolarHBondContact CB-SG 3.03Å; C20-C81 WeakPolarHBondContact SG-CB 3.01Å; C20-C81 PolarHBondContact SG-O 3.34Å; C20-C81 VanDerWaalsContact SG-O 3.35Å; C20-C81 CovalentContact SG-SG 2.02Å; C20-C81 PolarHBondContact SG-SG 3.1Å; P79-C81 VanDerWaalsContact C-N 3.34Å |
| 82 | E | 87.7 | Confident | 79.3 | Confident | 100 Ų | 100 | 59.4 Ų | 59.4 | 47% | 0.467 | 35% | 0.353 | S | S | . | . | B | Isolated β-bridge | trans | -85.4 | 137.4 | 175.9 | -92.7 | 174.9 | -164.3 | 0 | 0 | 110.8 | L17 K18 T19 C20 | L17-E82 HydrophobicContact CB-CB 4.11Å; L17-E82 HydrophobicContact CB-CG 3.67Å; L17-E82 HydrophobicContact CD1-CG 4.15Å; K18-E82 PolarHBondContact O-N 3.37Å; T19-E82 CarbonylContact C-O 3.55Å; T19-E82 VanDerWaalsContact CA-O 3.3Å; T19-E82 WeakPolarHBondContact CA-O 3.3Å; C20-E82 PolarHBondContact N-O 2.7Å |
| 83 | C | 87.4 | Confident | 79.4 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 14% | 0.135 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -69 | 145.9 | 172.2 | -63.9 | 0 | 0 | 0 | 0 | 110.6 | V87 C114 | C83-V87 HydrophobicContact CB-CG2 3.76Å; C83-C114 WeakPolarHBondContact CA-SG 3.25Å; C83-C114 HydrophobicContact CB-CB 3.61Å; C83-C114 WeakPolarHBondContact CB-SG 3.38Å; C83-C114 VanDerWaalsContact SG-CA 3.56Å; C83-C114 WeakPolarHBondContact SG-CB 3.43Å; C83-C114 CovalentContact SG-SG 2.03Å; C83-C114 PolarHBondContact SG-SG 3.47Å |
| 84 | P | 85.7 | Confident | 78.7 | Confident | 29 Ų | 29 | 62.3 Ų | 62.3 | 19% | 0.188 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -50.9 | 149.8 | 172.8 | -24.1 | 30.2 | 0 | 0 | 0 | 111.7 | D86 V87 | P84-D86 PolarHBondContact O-N 2.72Å; P84-V87 HydrophobicContact CB-CG2 4.01Å; P84-V87 HydrophobicContact CG-CG2 4.15Å; P84-V87 WeakPolarHBondContact O-CG2 3.26Å; P84-V87 PolarHBondContact O-N 3.25Å; P84-V87 VanDerWaalsContact O-N 3.09Å |
| 85 | P | 82.6 | Confident | 77.4 | Confident | 125 Ų | 125 | 66.9 Ų | 66.9 | 81% | 0.812 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -20.1 | -174.4 | 25.1 | -34.7 | 0 | 0 | 0 | 113.9 | V87 | P85-V87 VanDerWaalsContact C-N 3.3Å; P85-V87 PolarHBondContact O-N 2.83Å |
| 86 | D | 83.5 | Confident | 76.2 | Confident | 150 Ų | 150 | 70 Ų | 70 | 80% | 0.802 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -5.3 | -178.3 | -42.5 | -47.7 | 0 | 0 | 0 | 113.4 | P84 | P84-D86 PolarHBondContact O-N 2.72Š|
| 87 | V | 82.1 | Confident | 75.1 | Confident | 43 Ų | 43 | 68.6 Ų | 68.6 | 26% | 0.261 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -120.3 | 154.5 | -179.5 | -76.9 | 0 | 0 | 0 | 0 | 111.8 | C83 P84 P85 C114 | C83-V87 HydrophobicContact CB-CG2 3.76Å; P84-V87 HydrophobicContact CB-CG2 4.01Å; P84-V87 HydrophobicContact CG-CG2 4.15Å; P84-V87 WeakPolarHBondContact O-CG2 3.26Å; P84-V87 PolarHBondContact O-N 3.25Å; P84-V87 VanDerWaalsContact O-N 3.09Å; P85-V87 VanDerWaalsContact C-N 3.3Å; P85-V87 PolarHBondContact O-N 2.83Å; V87-C114 HydrophobicContact CG2-CB 4.32Å |
| 88 | P | 81.8 | Confident | 74.3 | Confident | 98 Ų | 98 | 74.1 Ų | 74.1 | 64% | 0.636 | 43% | 0.434 | S | S | * | . | trans | -55.4 | 150.8 | 175.8 | -23.5 | 33.3 | 0 | 0 | 0 | 112.4 | ||||
| 89 | P | 81.8 | Confident | 74.1 | Confident | 104 Ų | 104 | 70 Ų | 70 | 68% | 0.675 | 41% | 0.414 | S | S | * | . | trans | -60.5 | 148.3 | 178.8 | 25.3 | -33.6 | 0 | 0 | 0 | 111.2 | S91 | P89-S91 PolarHBondContact O-N 3.43Å; P89-S91 PolarHBondContact O-OG 2.84Å | ||
| 90 | C | 83.9 | Confident | 74.2 | Confident | 23 Ų | 23 | 70.9 Ų | 70.9 | 16% | 0.155 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -56.6 | 104.1 | 178.8 | -177.1 | 0 | 0 | 0 | 0 | 110.3 | C26 | C26-C90 HydrophobicContact CB-CB 3.6Å; C26-C90 WeakPolarHBondContact CB-SG 2.93Å; C26-C90 WeakPolarHBondContact SG-CB 3.44Å; C26-C90 CovalentContact SG-SG 2.02Å; C26-C90 PolarHBondContact SG-SG 3.12Å |
| 91 | S | 79.2 | Confident | 74.4 | Confident | 56 Ų | 56 | 71.4 Ų | 71.4 | 39% | 0.392 | 43% | 0.426 | S | S | . | . | trans | -139.3 | 141.3 | -174.4 | 50 | 0 | 0 | 0 | 0 | 109.7 | P89 V112 | P89-S91 PolarHBondContact O-N 3.43Å; P89-S91 PolarHBondContact O-OG 2.84Å; S91-V112 WeakPolarHBondContact O-CG1 3.01Å | ||
| 92 | Y | 70.2 | Confident | 74.5 | Confident | 41 Ų | 41 | 71.1 Ų | 71.1 | 16% | 0.161 | 42% | 0.424 | C | S | . | . | trans | -106.2 | 100.3 | 169.1 | -176.4 | -98.7 | 0 | 0 | 0 | 106.2 | V29 K31 T74 T102 V112 | V29-Y92 HydrophobicContact CB-CD2 4.09Å; V29-Y92 HydrophobicContact CB-CE2 4.12Å; V29-Y92 HydrophobicContact CB-CG 4.33Å; V29-Y92 HydrophobicContact CG1-CD1 3.97Å; V29-Y92 HydrophobicContact CG1-CD2 4.21Å; V29-Y92 HydrophobicContact CG1-CE1 3.81Å; V29-Y92 HydrophobicContact CG1-CE2 4.03Å; V29-Y92 HydrophobicContact CG1-CG 4.16Å; V29-Y92 HydrophobicContact CG2-CD1 4.23Å; V29-Y92 HydrophobicContact CG2-CD2 3.63Å; V29-Y92 HydrophobicContact CG2-CE2 4.18Å; V29-Y92 HydrophobicContact CG2-CG 3.64Å; K31-Y92 WeakPolarHBondContact CE-OH 3.39Å; T74-Y92 HydrophobicContact CG2-CD1 4.4Å; T74-Y92 HydrophobicContact CG2-CE1 3.8Å; Y92-T102 HydrophobicContact CE2-CG2 4.37Å; Y92-V112 HydrophobicContact CD2-CG2 3.7Å; Y92-V112 HydrophobicContact CG-CG2 4.41Å | ||
| 93 | G | 63.2 | Low | 74.6 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 49% | 0.485 | 40% | 0.402 | S | S | . | . | trans | -72.7 | 151.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | E95 | G93-E95 PolarHBondContact O-N 3.14Š| ||
| 94 | N | 53.7 | Low | 74.6 | Confident | 106 Ų | 106 | 72.5 Ų | 72.5 | 57% | 0.567 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -57 | 4.3 | 176.8 | -102.4 | -29.2 | 0 | 0 | 0 | 115.3 | T96 | N94-T96 VanDerWaalsContact C-N 3.27Å; N94-T96 PolarHBondContact O-N 2.91Å |
| 95 | E | 44.6 | Very low | 74.7 | Confident | 147 Ų | 147 | 71.4 Ų | 71.4 | 69% | 0.687 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -81.7 | 73.6 | 177.7 | -60.7 | -166.7 | 167.3 | 0 | 0 | 110.9 | G93 G97 | G93-E95 PolarHBondContact O-N 3.14Å; E95-G97 PolarHBondContact O-N 3.36Å |
| 96 | T | 48.2 | Very low | 74.7 | Confident | 114 Ų | 114 | 68.1 Ų | 68.1 | 70% | 0.699 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 28 | 69.3 | 136.9 | 13.5 | 0 | 0 | 0 | 0 | 115.7 | N94 N98 | N94-T96 VanDerWaalsContact C-N 3.27Å; N94-T96 PolarHBondContact O-N 2.91Å; T96-N98 PolarHBondContact O-N 2.79Å |
| 97 | G | 53 | Low | 74.5 | Confident | 15 Ų | 15 | 64.4 Ų | 64.4 | 16% | 0.155 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 2.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | E95 | E95-G97 PolarHBondContact O-N 3.36Š|
| 98 | N | 58.6 | Low | 74.4 | Confident | 130 Ų | 130 | 66.6 Ų | 66.6 | 70% | 0.695 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.1 | 18 | -171.2 | -109.2 | 3.7 | 0 | 0 | 0 | 114.2 | T96 | T96-N98 PolarHBondContact O-N 2.79Š|
| 99 | S | 74.4 | Confident | 74.5 | Confident | 32 Ų | 32 | 62.2 Ų | 62.2 | 22% | 0.224 | 36% | 0.358 | C | S | . | . | trans | -67.6 | 148.2 | 168.9 | 74 | 0 | 0 | 0 | 0 | 110.8 | I101 T102 | S99-I101 PolarHBondContact O-N 3.2Å; S99-I101 WeakPolarHBondContact OG-CG1 3.49Å; S99-T102 PolarHBondContact O-N 3.03Å; S99-T102 WeakPolarHBondContact OG-CB 3.18Å; S99-T102 PolarHBondContact OG-N 3.5Å; S99-T102 PolarHBondContact OG-OG1 2.92Å | ||
| 100 | S | 85.6 | Confident | 74.8 | Confident | 64 Ų | 64 | 57.3 Ų | 57.3 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.6 | 178.7 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | S116 R117 | S100-S116 CarbonylContact O-C 3.48Å; S100-S116 WeakPolarHBondContact O-CA 3.4Å; S100-S116 PolarHBondContact O-OG 2.94Å; S100-R117 WeakPolarHBondContact O-CB 3.28Å; S100-R117 VanDerWaalsContact O-CG 3.24Å; S100-R117 WeakPolarHBondContact O-CG 3.37Å; S100-R117 PolarHBondContact O-N 2.89Å |
| 101 | I | 88.1 | Confident | 75 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -6.5 | 179.8 | 62.3 | 170 | 0 | 0 | 0 | 113.7 | S99 V112 L113 | S99-I101 PolarHBondContact O-N 3.2Å; S99-I101 WeakPolarHBondContact OG-CG1 3.49Å; I101-V112 HydrophobicContact CD1-CG1 4.16Å; I101-L113 WeakPolarHBondContact CB-O 3.42Å; I101-L113 PolarHBondContact O-N 3.33Å |
| 102 | T | 88.6 | Confident | 75.5 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.2 | -179 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | Y92 S99 N110 L111 R117 | Y92-T102 HydrophobicContact CE2-CG2 4.37Å; S99-T102 PolarHBondContact O-N 3.03Å; S99-T102 WeakPolarHBondContact OG-CB 3.18Å; S99-T102 PolarHBondContact OG-N 3.5Å; S99-T102 PolarHBondContact OG-OG1 2.92Å; T102-N110 HydrophobicContact CG2-CB 3.8Å; T102-L111 CarbonylContact C-O 3.59Å; T102-L111 WeakPolarHBondContact CA-O 3.49Å; T102-R117 WeakPolarHBondContact O-CD 3.48Å; T102-R117 PolarHBondContact O-NH1 3.2Å |
| 103 | V | 89.5 | Confident | 76.5 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 112.3 | 172 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | L105 N110 L111 L113 R117 I156 M159 Y165 | V103-L105 HydrophobicContact CG1-CD2 4.33Å; V103-L105 PolarHBondContact O-N 3.42Å; V103-N110 CarbonylContact O-C 3.54Å; V103-N110 WeakPolarHBondContact O-CA 3.43Å; V103-L111 HydrophobicContact CB-CB 4.34Å; V103-L111 PolarHBondContact N-O 3.18Å; V103-L111 PolarHBondContact O-N 2.76Å; V103-L113 HydrophobicContact CG2-CD1 3.87Å; V103-L113 HydrophobicContact CG2-CG 4.32Å; V103-R117 HydrophobicContact CG2-CB 3.9Å; V103-I156 HydrophobicContact CB-CD1 4.44Å; V103-I156 HydrophobicContact CG1-CD1 3.85Å; V103-I156 HydrophobicContact CG2-CD1 4.25Å; V103-M159 HydrophobicContact CB-SD 4.47Å; V103-M159 HydrophobicContact CG1-CE 4.35Å; V103-M159 HydrophobicContact CG1-SD 3.93Å; V103-M159 HydrophobicContact CG2-CE 4.25Å; V103-M159 HydrophobicContact CG2-SD 3.65Å; V103-Y165 HydrophobicContact CG1-CD2 4.44Å; V103-Y165 HydrophobicContact CG1-CE2 3.53Å |
| 104 | R | 89.2 | Confident | 77.7 | Confident | 147 Ų | 147 | 50.1 Ų | 50.1 | 56% | 0.555 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 118.6 | 175.2 | -175.5 | 173.3 | 175.9 | -177.5 | -5.8 | 109.9 | D106 N110 Y165 | R104-D106 WeakPolarHBondContact CG-O 3.35Å; R104-D106 PolarHBondContact NE-O 2.88Å; R104-N110 WeakPolarHBondContact CA-OD1 3.07Å; R104-N110 WeakPolarHBondContact CB-OD1 3.31Å; R104-N110 WeakPolarHBondContact CG-OD1 3.44Å; R104-Y165 VanDerWaalsContact O-CD2 3.31Å; R104-Y165 WeakPolarHBondContact O-CD2 3.37Å |
| 105 | L | 86.9 | Confident | 79.3 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | trans | -88.7 | -40.4 | 176.4 | -60.5 | -176.7 | 0 | 0 | 0 | 111.5 | V103 V109 L111 V131 L133 Y165 Y184 | V103-L105 HydrophobicContact CG1-CD2 4.33Å; V103-L105 PolarHBondContact O-N 3.42Å; L105-V109 HydrophobicContact CB-CB 4.33Å; L105-V109 HydrophobicContact CB-CG1 4.48Å; L105-V109 HydrophobicContact CD1-CG1 4.07Å; L105-V109 PolarHBondContact N-O 3.39Å; L105-L111 HydrophobicContact CD1-CD1 3.92Å; L105-L111 HydrophobicContact CD1-CD2 3.93Å; L105-L111 HydrophobicContact CD1-CG 3.7Å; L105-L111 HydrophobicContact CD2-CD1 4.01Å; L105-L111 HydrophobicContact CD2-CG 4.24Å; L105-L111 HydrophobicContact CG-CD1 4.2Å; L105-L111 HydrophobicContact CG-CG 3.91Å; L105-V131 HydrophobicContact CD1-CG1 3.89Å; L105-V131 HydrophobicContact CD2-CB 4.3Å; L105-V131 HydrophobicContact CD2-CG1 3.98Å; L105-V131 HydrophobicContact CD2-CG2 3.8Å; L105-L133 HydrophobicContact CD1-CD2 4.37Å; L105-Y165 HydrophobicContact CD2-CD1 4.32Å; L105-Y165 HydrophobicContact CD2-CD2 4.01Å; L105-Y165 HydrophobicContact CD2-CE2 4.37Å; L105-Y165 HydrophobicContact CD2-CG 3.97Å; L105-Y165 WeakPolarHBondContact O-CB 3.37Å; L105-Y184 HydrophobicContact CB-CD1 4.34Å; L105-Y184 HydrophobicContact CB-CE1 4.07Å; L105-Y184 HydrophobicContact CD1-CD2 4.05Å; L105-Y184 HydrophobicContact CD1-CE2 3.74Å | ||
| 106 | D | 83.6 | Confident | 81.3 | Confident | 56 Ų | 56 | 43.2 Ų | 43.2 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -150.6 | -161.9 | 175.1 | 64.4 | 45 | 0 | 0 | 0 | 111.5 | R104 K108 V109 | R104-D106 WeakPolarHBondContact CG-O 3.35Å; R104-D106 PolarHBondContact NE-O 2.88Å; D106-K108 VanDerWaalsContact C-N 3.27Å; D106-K108 PolarHBondContact O-N 3Å; D106-K108 WeakPolarHBondContact OD1-CA 3.26Å; D106-K108 PolarHBondContact OD1-N 3.45Å; D106-V109 PolarHBondContact N-O 3.03Å; D106-V109 WeakPolarHBondContact OD1-CG2 3.37Å; D106-V109 PolarHBondContact OD1-N 3.14Å; D106-V109 WeakPolarHBondContact OD2-CG2 3.41Å |
| 107 | A | 78 | Confident | 83.3 | Confident | 73 Ų | 73 | 41 Ų | 41 | 60% | 0.603 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -65.9 | -29.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 108 | K | 79.9 | Confident | 84.9 | Confident | 88 Ų | 88 | 46.4 Ų | 46.4 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -102.8 | -45 | -175.9 | -58.8 | -169.8 | 177.5 | -171.4 | 0 | 110.3 | E30 K31 D106 | E30-K108 CarbonylContact C-O 3.5Å; E30-K108 WeakPolarHBondContact CA-O 3.43Å; K31-K108 PolarHBondContact N-O 3.29Å; K31-K108 WeakPolarHBondContact O-CB 3.26Å; K31-K108 WeakPolarHBondContact O-CG 3.24Å; D106-K108 VanDerWaalsContact C-N 3.27Å; D106-K108 PolarHBondContact O-N 3Å; D106-K108 WeakPolarHBondContact OD1-CA 3.26Å; D106-K108 PolarHBondContact OD1-N 3.45Å |
| 109 | V | 83.7 | Confident | 86.2 | Confident | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.036 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 130.2 | -167.4 | -167.5 | 0 | 0 | 0 | 0 | 113.5 | I28 E30 L105 D106 | I28-V109 HydrophobicContact CG2-CG1 3.94Å; E30-V109 HydrophobicContact CG-CB 4.18Å; E30-V109 HydrophobicContact CG-CG1 4.13Å; E30-V109 HydrophobicContact CG-CG2 3.83Å; L105-V109 HydrophobicContact CB-CB 4.33Å; L105-V109 HydrophobicContact CB-CG1 4.48Å; L105-V109 HydrophobicContact CD1-CG1 4.07Å; L105-V109 PolarHBondContact N-O 3.39Å; D106-V109 PolarHBondContact N-O 3.03Å; D106-V109 WeakPolarHBondContact OD1-CG2 3.37Å; D106-V109 PolarHBondContact OD1-N 3.14Å; D106-V109 WeakPolarHBondContact OD2-CG2 3.41Å |
| 110 | N | 87.8 | Confident | 87 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.011 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 139.1 | 172.8 | -60.7 | -80.4 | 0 | 0 | 0 | 110.1 | V29 T102 V103 R104 | V29-N110 HydrophobicContact CB-CB 4.49Å; V29-N110 PolarHBondContact N-O 2.85Å; V29-N110 PolarHBondContact O-N 3.4Å; T102-N110 HydrophobicContact CG2-CB 3.8Å; V103-N110 CarbonylContact O-C 3.54Å; V103-N110 WeakPolarHBondContact O-CA 3.43Å; R104-N110 WeakPolarHBondContact CA-OD1 3.07Å; R104-N110 WeakPolarHBondContact CB-OD1 3.31Å; R104-N110 WeakPolarHBondContact CG-OD1 3.44Å |
| 111 | L | 89.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 139.5 | 168.6 | -60.1 | -176 | 0 | 0 | 0 | 109.7 | A25 I28 T102 V103 L105 V131 L133 A154 I156 | A25-L111 HydrophobicContact CB-CB 4Å; A25-L111 HydrophobicContact CB-CD1 4.4Å; A25-L111 HydrophobicContact CB-CD2 4.25Å; A25-L111 HydrophobicContact CB-CG 4.45Å; I28-L111 HydrophobicContact CD1-CD2 4.44Å; I28-L111 HydrophobicContact CG1-CD2 3.54Å; T102-L111 CarbonylContact C-O 3.59Å; T102-L111 WeakPolarHBondContact CA-O 3.49Å; V103-L111 HydrophobicContact CB-CB 4.34Å; V103-L111 PolarHBondContact N-O 3.18Å; V103-L111 PolarHBondContact O-N 2.76Å; L105-L111 HydrophobicContact CD1-CD1 3.92Å; L105-L111 HydrophobicContact CD1-CD2 3.93Å; L105-L111 HydrophobicContact CD1-CG 3.7Å; L105-L111 HydrophobicContact CD2-CD1 4.01Å; L105-L111 HydrophobicContact CD2-CG 4.24Å; L105-L111 HydrophobicContact CG-CD1 4.2Å; L105-L111 HydrophobicContact CG-CG 3.91Å; L111-V131 HydrophobicContact CD1-CG1 3.84Å; L111-L133 HydrophobicContact CD2-CD2 4.04Å; L111-A154 HydrophobicContact CD2-CB 3.83Å; L111-I156 HydrophobicContact CD1-CB 4.45Å |
| 112 | V | 90.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 125.2 | 171.7 | -173.3 | 0 | 0 | 0 | 0 | 108.7 | A25 C26 R27 V29 S91 Y92 I101 | A25-V112 CarbonylContact C-O 3.57Å; A25-V112 VanDerWaalsContact CA-O 3.26Å; A25-V112 WeakPolarHBondContact CA-O 2.99Å; A25-V112 WeakPolarHBondContact CB-O 3.15Å; C26-V112 PolarHBondContact N-O 2.78Å; C26-V112 PolarHBondContact SG-O 3.45Å; C26-V112 VanDerWaalsContact SG-O 3.39Å; R27-V112 HydrophobicContact CG-CB 3.65Å; R27-V112 HydrophobicContact CG-CG1 4.35Å; R27-V112 HydrophobicContact CG-CG2 3.72Å; R27-V112 PolarHBondContact N-O 3.39Å; R27-V112 PolarHBondContact O-N 3.06Å; V29-V112 HydrophobicContact CG2-CG2 3.93Å; S91-V112 WeakPolarHBondContact O-CG1 3.01Å; Y92-V112 HydrophobicContact CD2-CG2 3.7Å; Y92-V112 HydrophobicContact CG-CG2 4.41Å; I101-V112 HydrophobicContact CD1-CG1 4.16Å |
| 113 | L | 90.6 | Very high | 87.4 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 155.6 | 177.6 | -53.6 | -177 | 0 | 0 | 0 | 110.2 | A25 I101 V103 Q115 R117 L120 I156 | A25-L113 HydrophobicContact CB-CD2 3.86Å; I101-L113 WeakPolarHBondContact CB-O 3.42Å; I101-L113 PolarHBondContact O-N 3.33Å; V103-L113 HydrophobicContact CG2-CD1 3.87Å; V103-L113 HydrophobicContact CG2-CG 4.32Å; L113-Q115 VanDerWaalsContact C-N 3.35Å; L113-Q115 VanDerWaalsContact CB-O 3.26Å; L113-Q115 WeakPolarHBondContact CB-O 3.06Å; L113-R117 HydrophobicContact CD1-CB 4.34Å; L113-L120 HydrophobicContact CD1-CD1 3.76Å; L113-I156 HydrophobicContact CD1-CG2 4.37Å; L113-I156 HydrophobicContact CD2-CG2 3.79Å |
| 114 | C | 88.9 | Confident | 87.2 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 9% | 0.088 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -77.5 | -23.1 | 170.6 | -67 | 0 | 0 | 0 | 0 | 113.3 | C20 C26 C83 V87 | C20-C114 PolarHBondContact SG-SG 3.5Å; C26-C114 VanDerWaalsContact CB-SG 3.5Å; C83-C114 WeakPolarHBondContact CA-SG 3.25Å; C83-C114 HydrophobicContact CB-CB 3.61Å; C83-C114 WeakPolarHBondContact CB-SG 3.38Å; C83-C114 VanDerWaalsContact SG-CA 3.56Å; C83-C114 WeakPolarHBondContact SG-CB 3.43Å; C83-C114 CovalentContact SG-SG 2.03Å; C83-C114 PolarHBondContact SG-SG 3.47Å; V87-C114 HydrophobicContact CG2-CB 4.32Å |
| 115 | Q | 86.9 | Confident | 86.7 | Confident | 71 Ų | 71 | 51.1 Ų | 51.1 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -115.6 | 160 | 178.9 | -64.2 | -175.2 | 2 | 0 | 0 | 109.6 | L113 R117 | L113-Q115 VanDerWaalsContact C-N 3.35Å; L113-Q115 VanDerWaalsContact CB-O 3.26Å; L113-Q115 WeakPolarHBondContact CB-O 3.06Å; Q115-R117 PolarHBondContact O-N 2.81Å |
| 116 | S | 87.5 | Confident | 86.2 | Confident | 37 Ų | 37 | 53 Ų | 53 | 26% | 0.259 | 28% | 0.277 | S | S | . | . | trans | -54.9 | 139.6 | 173.5 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | S100 D118 S119 | S100-S116 CarbonylContact O-C 3.48Å; S100-S116 WeakPolarHBondContact O-CA 3.4Å; S100-S116 PolarHBondContact O-OG 2.94Å; S116-D118 PolarHBondContact O-N 3.5Å; S116-D118 VanDerWaalsContact O-N 3.11Å; S116-D118 PolarHBondContact OG-N 3.27Å; S116-D118 PolarHBondContact OG-OD2 2.87Å; S116-S119 WeakPolarHBondContact O-CB 3.29Å; S116-S119 PolarHBondContact O-N 3.05Å; S116-S119 PolarHBondContact O-OG 3.06Å | ||
| 117 | R | 88.4 | Confident | 85.9 | Confident | 66 Ų | 66 | 61 Ų | 61 | 25% | 0.249 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -56.2 | -23.8 | 172 | 72.8 | -165.5 | -177.8 | -178.1 | -0.4 | 112.4 | S100 T102 V103 L113 Q115 S119 L120 M159 | S100-R117 WeakPolarHBondContact O-CB 3.28Å; S100-R117 VanDerWaalsContact O-CG 3.24Å; S100-R117 WeakPolarHBondContact O-CG 3.37Å; S100-R117 PolarHBondContact O-N 2.89Å; T102-R117 WeakPolarHBondContact O-CD 3.48Å; T102-R117 PolarHBondContact O-NH1 3.2Å; V103-R117 HydrophobicContact CG2-CB 3.9Å; L113-R117 HydrophobicContact CD1-CB 4.34Å; Q115-R117 PolarHBondContact O-N 2.81Å; R117-S119 PolarHBondContact O-N 3.34Å; R117-L120 WeakPolarHBondContact O-CB 3.39Å; R117-L120 PolarHBondContact O-N 2.86Å; R117-L120 VanDerWaalsContact O-N 3.11Å; R117-M159 HydrophobicContact CB-CE 3.98Å; R117-M159 HydrophobicContact CB-CG 4.48Å; R117-M159 HydrophobicContact CB-SD 4.01Å; R117-M159 HydrophobicContact CG-CE 4.01Å; R117-M159 WeakPolarHBondContact O-CG 3.47Å |
| 118 | D | 86.8 | Confident | 86 | Confident | 129 Ų | 129 | 66 Ų | 66 | 69% | 0.69 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -68.3 | -16.6 | 176 | -51.7 | -42.5 | 0 | 0 | 0 | 112.8 | S116 L120 | S116-D118 PolarHBondContact O-N 3.5Å; S116-D118 VanDerWaalsContact O-N 3.11Å; S116-D118 PolarHBondContact OG-N 3.27Å; S116-D118 PolarHBondContact OG-OD2 2.87Å; D118-L120 PolarHBondContact O-N 3.01Å |
| 119 | S | 87.4 | Confident | 86.3 | Confident | 37 Ų | 37 | 62.4 Ų | 62.4 | 26% | 0.259 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -70.6 | -18.2 | 172.6 | 71.6 | 0 | 0 | 0 | 0 | 112.9 | R22 S116 R117 | R22-S119 PolarHBondContact NE-O 3.35Å; R22-S119 PolarHBondContact NH1-O 2.95Å; R22-S119 VanDerWaalsContact NH1-O 3.1Å; R22-S119 PolarHBondContact NH2-O 3.17Å; S116-S119 WeakPolarHBondContact O-CB 3.29Å; S116-S119 PolarHBondContact O-N 3.05Å; S116-S119 PolarHBondContact O-OG 3.06Å; R117-S119 PolarHBondContact O-N 3.34Å |
| 120 | L | 89.7 | Confident | 86.6 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -84.6 | 141.7 | 177.3 | -64.3 | 169.8 | 0 | 0 | 0 | 110.3 | T23 L113 R117 D118 I156 M159 | T23-L120 HydrophobicContact CG2-CD2 4.44Å; L113-L120 HydrophobicContact CD1-CD1 3.76Å; R117-L120 WeakPolarHBondContact O-CB 3.39Å; R117-L120 PolarHBondContact O-N 2.86Å; R117-L120 VanDerWaalsContact O-N 3.11Å; D118-L120 PolarHBondContact O-N 3.01Å; L120-I156 HydrophobicContact CD1-CB 4.49Å; L120-I156 HydrophobicContact CD1-CD1 3.93Å; L120-I156 HydrophobicContact CD1-CG1 3.98Å; L120-I156 HydrophobicContact CD1-CG2 3.73Å; L120-M159 HydrophobicContact CB-CB 4.46Å; L120-M159 HydrophobicContact CB-CG 3.67Å; L120-M159 HydrophobicContact CD1-CG 3.84Å; L120-M159 HydrophobicContact CD1-SD 4.09Å; L120-M159 HydrophobicContact CG-CG 4.39Å |
| 121 | V | 91.4 | Very high | 86.7 | Confident | 82 Ų | 82 | 62.4 Ų | 62.4 | 50% | 0.497 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 148.6 | 176.5 | -64.7 | 0 | 0 | 0 | 0 | 110.7 | C158 M159 | V121-C158 HydrophobicContact CG2-CB 4.23Å; V121-C158 CarbonylContact O-C 3.5Å; V121-C158 WeakPolarHBondContact O-CA 3.31Å; V121-C158 WeakPolarHBondContact O-CB 3.47Å; V121-M159 PolarHBondContact O-N 3.09Å |
| 122 | P | 90.8 | Very high | 86.6 | Confident | 78 Ų | 78 | 64 Ų | 64 | 51% | 0.506 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -62.7 | 140.2 | 171.8 | -22.2 | 32.8 | 0 | 0 | 0 | 112 | R124 M159 T161 | P122-R124 PolarHBondContact O-N 3.18Å; P122-M159 WeakPolarHBondContact CA-O 3.22Å; P122-T161 HydrophobicContact CB-CG2 4.38Å |
| 123 | C | 89.6 | Confident | 86.3 | Confident | 13 Ų | 13 | 64 Ų | 64 | 9% | 0.088 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 127.3 | 176.9 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | C158 M159 C186 | C123-C158 WeakPolarHBondContact CA-SG 3.45Å; C123-C158 HydrophobicContact CB-CB 3.98Å; C123-C158 WeakPolarHBondContact CB-SG 3.03Å; C123-C158 WeakPolarHBondContact SG-CB 3.39Å; C123-C158 PolarHBondContact SG-O 2.92Å; C123-C158 VanDerWaalsContact SG-O 3.39Å; C123-C158 CovalentContact SG-SG 2.04Å; C123-C158 PolarHBondContact SG-SG 2.87Å; C123-M159 PolarHBondContact N-O 3.29Å; C123-M159 VanDerWaalsContact SG-C 3.5Å; C123-M159 PolarHBondContact SG-O 2.78Å; C123-C186 HydrophobicContact CB-CB 4.12Å |
| 124 | R | 84.8 | Confident | 85.8 | Confident | 235 Ų | 235 | 64.2 Ų | 64.2 | 89% | 0.887 | 30% | 0.299 | S | S | * | . | trans | -100.9 | -31.5 | 175.9 | -65.2 | -173.7 | 178.8 | -171.1 | -0.4 | 113.3 | P122 F126 | P122-R124 PolarHBondContact O-N 3.18Å; R124-F126 WeakPolarHBondContact O-CE2 3.37Å | ||
| 125 | D | 78.2 | Confident | 85.1 | Confident | 71 Ų | 71 | 63.8 Ų | 63.8 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | trans | -111.2 | 118.7 | 179.8 | -171.6 | -2.5 | 0 | 0 | 0 | 109.7 | R127 R128 | D125-R127 PolarHBondContact OD1-N 2.77Å; D125-R128 IonicContact OD2-NE 3.82Å | ||
| 126 | F | 77 | Confident | 84.2 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 20% | 0.197 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -91.7 | -8.8 | -175.4 | -56.4 | -79.8 | 0 | 0 | 0 | 112.3 | R124 C186 R188 | R124-F126 WeakPolarHBondContact O-CE2 3.37Å; F126-C186 WeakPolarHBondContact CA-O 3.46Å; F126-C186 VanDerWaalsContact CB-O 3.22Å; F126-C186 WeakPolarHBondContact CB-O 3.49Å; F126-C186 HydrophobicContact CD1-CB 4.01Å; F126-C186 VanDerWaalsContact CD1-O 3.29Å; F126-C186 WeakPolarHBondContact CD1-O 3.42Å; F126-R188 HydrophobicContact CD1-CG 3.82Å; F126-R188 HydrophobicContact CD2-CG 4.06Å; F126-R188 HydrophobicContact CE1-CG 3.6Å; F126-R188 HydrophobicContact CE2-CG 3.89Å; F126-R188 HydrophobicContact CG-CG 4.06Å; F126-R188 HydrophobicContact CZ-CG 3.65Å; F126-R188 VanDerWaalsContact CZ-NE 3.27Å |
| 127 | R | 77 | Confident | 82.8 | Confident | 224 Ų | 224 | 67.6 Ų | 67.6 | 85% | 0.845 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -87.7 | -22.6 | -176.2 | -64.7 | -172.1 | -117.5 | -159.4 | -3.8 | 113.4 | D125 | D125-R127 PolarHBondContact OD1-N 2.77Š|
| 128 | R | 80.3 | Confident | 81.2 | Confident | 177 Ų | 177 | 67.9 Ų | 67.9 | 67% | 0.668 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -94.6 | 146.1 | -178.6 | -68.2 | -176.2 | 179.2 | -110.6 | 0.7 | 111 | D125 V130 | D125-R128 IonicContact OD2-NE 3.82Å; R128-V130 WeakPolarHBondContact O-CG1 3.28Å; R128-V130 PolarHBondContact O-N 3.37Å |
| 129 | P | 85.7 | Confident | 79.6 | Confident | 12 Ų | 12 | 63.9 Ų | 63.9 | 8% | 0.078 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 123.3 | 172.6 | -14.7 | 27.2 | 0 | 0 | 0 | 110.8 | T183 Y184 | P129-T183 HydrophobicContact CB-CG2 4.48Å; P129-Y184 CarbonylContact C-O 3.59Å; P129-Y184 WeakPolarHBondContact CA-O 3.49Å |
| 130 | V | 89.4 | Confident | 77.6 | Confident | 8 Ų | 8 | 72.6 Ų | 72.6 | 5% | 0.048 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -17.2 | -176.1 | -62 | 0 | 0 | 0 | 0 | 112.6 | R128 I156 W157 C158 Y165 Y184 C186 | R128-V130 WeakPolarHBondContact O-CG1 3.28Å; R128-V130 PolarHBondContact O-N 3.37Å; V130-I156 WeakPolarHBondContact O-CA 3.35Å; V130-W157 PolarHBondContact O-N 2.83Å; V130-C158 VanDerWaalsContact CB-SG 3.53Å; V130-C158 WeakPolarHBondContact CG1-SG 3.39Å; V130-Y165 HydrophobicContact CG2-CD1 3.98Å; V130-Y165 HydrophobicContact CG2-CE1 3.87Å; V130-Y184 WeakPolarHBondContact CG2-O 3.33Å; V130-Y184 PolarHBondContact N-O 3.13Å; V130-C186 HydrophobicContact CG2-CB 4.09Å |
| 131 | V | 90.1 | Very high | 75.6 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 138.1 | 170.6 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | L105 L111 L133 R155 I156 Y165 T183 Y184 | L105-V131 HydrophobicContact CD1-CG1 3.89Å; L105-V131 HydrophobicContact CD2-CB 4.3Å; L105-V131 HydrophobicContact CD2-CG1 3.98Å; L105-V131 HydrophobicContact CD2-CG2 3.8Å; L111-V131 HydrophobicContact CD1-CG1 3.84Å; V131-L133 HydrophobicContact CG1-CD2 4.17Å; V131-R155 CarbonylContact C-O 3.56Å; V131-R155 VanDerWaalsContact CA-O 3.28Å; V131-R155 WeakPolarHBondContact CA-O 3.33Å; V131-I156 HydrophobicContact CG2-CB 4.03Å; V131-I156 HydrophobicContact CG2-CD1 3.9Å; V131-I156 HydrophobicContact CG2-CG1 3.76Å; V131-Y165 HydrophobicContact CG2-CD1 3.93Å; V131-Y165 HydrophobicContact CG2-CE1 3.78Å; V131-T183 CarbonylContact O-C 3.51Å; V131-T183 WeakPolarHBondContact O-CA 3.25Å; V131-Y184 HydrophobicContact CB-CD2 4.15Å; V131-Y184 HydrophobicContact CB-CG 4.49Å; V131-Y184 HydrophobicContact CG1-CD2 4.03Å; V131-Y184 PolarHBondContact N-O 2.83Å; V131-Y184 PolarHBondContact O-N 3.23Å |
| 132 | R | 87.5 | Confident | 73.2 | Confident | 34 Ų | 34 | 79.1 Ų | 79.1 | 13% | 0.128 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 131.3 | 176.8 | -57.2 | -178.1 | -165.4 | -153.8 | -16.9 | 109.4 | F134 R155 W157 E172 H180 T183 | R132-F134 HydrophobicContact CB-CD2 4.47Å; R132-F134 HydrophobicContact CB-CE1 4.5Å; R132-F134 HydrophobicContact CB-CE2 3.65Å; R132-F134 HydrophobicContact CB-CZ 3.67Å; R132-F134 WeakPolarHBondContact O-CE2 3.5Å; R132-R155 PolarHBondContact N-O 2.83Å; R132-R155 PolarHBondContact O-N 3.29Å; R132-W157 HydrophobicContact CB-CH2 4.1Å; R132-W157 HydrophobicContact CB-CZ3 3.77Å; R132-W157 HydrophobicContact CG-CH2 3.93Å; R132-W157 HydrophobicContact CG-CZ3 3.52Å; R132-E172 IonicContact CZ-OE2 2.95Å; R132-E172 IonicContact NE-OE2 3.98Å; R132-E172 IonicContact NH1-OE2 2.72Å; R132-E172 PolarHBondContact NH1-OE2 2.89Å; R132-E172 VanDerWaalsContact NH2-CD 3.33Å; R132-E172 IonicContact NH2-OE1 3.25Å; R132-E172 PolarHBondContact NH2-OE1 2.76Å; R132-E172 IonicContact NH2-OE2 2.7Å; R132-E172 PolarHBondContact NH2-OE2 2.83Å; R132-H180 VanDerWaalsContact CD-CE1 3.43Å; R132-H180 WeakPolarHBondContact CD-CE1 3.01Å; R132-T183 HydrophobicContact CB-CG2 4.44Å; R132-T183 HydrophobicContact CG-CG2 4.07Å |
| 133 | L | 85.1 | Confident | 70.9 | Confident | 1 Ų | 1 | 79.3 Ų | 79.3 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.7 | 173.4 | -47.8 | -175.3 | 0 | 0 | 0 | 108.3 | I28 L105 L111 V131 F151 A154 V181 A182 Y184 | I28-L133 HydrophobicContact CD1-CD1 4.39Å; I28-L133 HydrophobicContact CD1-CD2 4.06Å; L105-L133 HydrophobicContact CD1-CD2 4.37Å; L111-L133 HydrophobicContact CD2-CD2 4.04Å; V131-L133 HydrophobicContact CG1-CD2 4.17Å; L133-F151 HydrophobicContact CB-CD1 3.57Å; L133-F151 HydrophobicContact CB-CE1 3.54Å; L133-F151 HydrophobicContact CD1-CD1 4.22Å; L133-F151 HydrophobicContact CD1-CE1 3.64Å; L133-F151 HydrophobicContact CD1-CZ 3.88Å; L133-F151 HydrophobicContact CG-CD1 4.49Å; L133-F151 HydrophobicContact CG-CE1 4.24Å; L133-A154 HydrophobicContact CD2-CB 3.55Å; L133-V181 PolarHBondContact O-N 3.18Å; L133-A182 HydrophobicContact CB-CB 4.43Å; L133-A182 HydrophobicContact CD1-CB 4.12Å; L133-A182 HydrophobicContact CG-CB 4.39Å; L133-A182 PolarHBondContact N-O 2.85Å; L133-Y184 HydrophobicContact CD1-CE2 3.91Å; L133-Y184 HydrophobicContact CG-CE2 4.19Å |
| 134 | F | 80 | Confident | 68.6 | Low | 6 Ų | 6 | 85.7 Ų | 85.7 | 3% | 0.026 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 154.6 | -172.2 | -56.9 | -94.2 | 0 | 0 | 0 | 111 | R132 F151 T152 Q153 R155 W157 M178 Q179 H180 | R132-F134 HydrophobicContact CB-CD2 4.47Å; R132-F134 HydrophobicContact CB-CE1 4.5Å; R132-F134 HydrophobicContact CB-CE2 3.65Å; R132-F134 HydrophobicContact CB-CZ 3.67Å; R132-F134 WeakPolarHBondContact O-CE2 3.5Å; F134-F151 CarbonylContact O-C 3.57Å; F134-F151 WeakPolarHBondContact O-CA 3.09Å; F134-T152 PolarHBondContact O-N 2.79Å; F134-Q153 HydrophobicContact CB-CB 4.06Å; F134-Q153 HydrophobicContact CD2-CB 4.06Å; F134-Q153 HydrophobicContact CD2-CG 4.34Å; F134-Q153 HydrophobicContact CG-CB 4.42Å; F134-Q153 PolarHBondContact N-O 2.85Å; F134-Q153 PolarHBondContact O-N 2.84Å; F134-R155 HydrophobicContact CE2-CB 4.04Å; F134-W157 HydrophobicContact CZ-CH2 4.34Å; F134-M178 HydrophobicContact CB-CB 4.25Å; F134-M178 HydrophobicContact CB-SD 4.28Å; F134-M178 HydrophobicContact CD1-CB 4.15Å; F134-Q179 CarbonylContact C-O 3.55Å; F134-Q179 VanDerWaalsContact CA-O 3.31Å; F134-Q179 WeakPolarHBondContact CA-O 3.3Å; F134-H180 AromaticContact CD1-CE1 3.75Å; F134-H180 AromaticContact CD1-ND1 3.99Å; F134-H180 AromaticContact CE1-CE1 3.07Å; F134-H180 WeakPolarHBondContact CE1-CE1 3.1Å; F134-H180 AromaticContact CE1-ND1 3.74Å; F134-H180 AromaticContact CE1-NE2 3.61Å; F134-H180 AromaticContact CZ-CE1 3.57Å |
| 135 | K | 74.1 | Confident | 66.6 | Low | 5 Ų | 5 | 76.1 Ų | 76.1 | 2% | 0.022 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 150.1 | 173.7 | -175.8 | 179.4 | -178.1 | -178.2 | 0 | 110 | V139 R140 R150 T152 M178 Q179 V181 | K135-V139 WeakPolarHBondContact CE-O 3.21Å; K135-V139 PolarHBondContact NZ-O 2.91Å; K135-R140 VanDerWaalsContact NZ-C 3.31Å; K135-R140 PolarHBondContact NZ-O 3.45Å; K135-R150 VanDerWaalsContact CB-O 3.26Å; K135-R150 WeakPolarHBondContact CB-O 3.39Å; K135-R150 WeakPolarHBondContact CD-O 2.96Å; K135-R150 VanDerWaalsContact CG-O 3.26Å; K135-R150 WeakPolarHBondContact CG-O 3.37Å; K135-T152 WeakPolarHBondContact CA-OG1 3.36Å; K135-M178 CarbonylContact O-C 3.56Å; K135-M178 WeakPolarHBondContact O-CA 3.44Å; K135-Q179 PolarHBondContact N-O 2.73Å; K135-Q179 PolarHBondContact O-N 2.8Å; K135-V181 HydrophobicContact CB-CG2 3.36Å; K135-V181 HydrophobicContact CD-CG2 4.16Å; K135-V181 HydrophobicContact CG-CG2 4.36Å |
| 136 | D | 67.6 | Low | 64.7 | Low | 78 Ų | 78 | 77.4 Ų | 77.4 | 42% | 0.417 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 143.6 | 171.8 | -81.4 | -12.8 | 0 | 0 | 0 | 112.4 | G138 V139 T152 | D136-G138 PolarHBondContact O-N 2.66Å; D136-V139 PolarHBondContact O-N 3.19Å; D136-T152 HydrophobicContact CB-CG2 3.96Å; D136-T152 PolarHBondContact N-OG1 3.29Å |
| 137 | L | 57.9 | Low | 63.3 | Low | 109 Ų | 109 | 76.3 Ų | 76.3 | 57% | 0.571 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -29.3 | 176.9 | -93.2 | 160.9 | 0 | 0 | 0 | 114.9 | W174 G177 | L137-W174 HydrophobicContact CD1-CE3 4.49Å; L137-W174 HydrophobicContact CD1-CH2 4.42Å; L137-W174 HydrophobicContact CD1-CZ3 3.89Å; L137-W174 HydrophobicContact CD2-CE3 4.27Å; L137-W174 HydrophobicContact CD2-CH2 2.98Å; L137-W174 HydrophobicContact CD2-CZ2 3.75Å; L137-W174 HydrophobicContact CD2-CZ3 3.31Å; L137-W174 HydrophobicContact CG-CE3 4.3Å; L137-W174 HydrophobicContact CG-CH2 3.47Å; L137-W174 VanDerWaalsContact CG-CH2 3.47Å; L137-W174 HydrophobicContact CG-CZ3 3.29Å; L137-G177 VanDerWaalsContact CD1-CA 3.5Å; L137-G177 WeakPolarHBondContact CD1-O 3.39Å; L137-G177 WeakPolarHBondContact CG-O 3.4Å |
| 138 | G | 55.6 | Low | 61.8 | Low | 73 Ų | 73 | 69.3 Ų | 69.3 | 75% | 0.753 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -14.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D136 R140 | D136-G138 PolarHBondContact O-N 2.66Å; G138-R140 PolarHBondContact O-N 2.77Å |
| 139 | V | 52.6 | Low | 60.4 | Low | 44 Ų | 44 | 66.6 Ų | 66.6 | 27% | 0.267 | 39% | 0.385 | S | S | . | . | trans | -91.1 | 114.2 | -174.9 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | K135 D136 E149 | K135-V139 WeakPolarHBondContact CE-O 3.21Å; K135-V139 PolarHBondContact NZ-O 2.91Å; D136-V139 PolarHBondContact O-N 3.19Å; V139-E149 HydrophobicContact CG1-CB 3.77Å; V139-E149 WeakPolarHBondContact CG1-O 3.49Å | ||
| 140 | R | 45.7 | Very low | 59.3 | Low | 220 Ų | 220 | 69.7 Ų | 69.7 | 83% | 0.83 | 40% | 0.395 | S | S | * | . | trans | -64.2 | 146.9 | 174.7 | -79.5 | -177.1 | 154.5 | 164.4 | -5.4 | 109.8 | K135 G138 D142 | K135-R140 VanDerWaalsContact NZ-C 3.31Å; K135-R140 PolarHBondContact NZ-O 3.45Å; G138-R140 PolarHBondContact O-N 2.77Å; R140-D142 PolarHBondContact O-N 2.02Å | ||
| 141 | L | 47 | Very low | 58.4 | Low | 124 Ų | 124 | 70.8 Ų | 70.8 | 65% | 0.649 | 40% | 0.399 | S | S | * | . | trans | -74.2 | 100.6 | 167.7 | -79.2 | 157.1 | 0 | 0 | 0 | 105.7 | G143 | L141-G143 PolarHBondContact O-N 3.44Š| ||
| 142 | D | 41.6 | Very low | 57.8 | Low | 104 Ų | 104 | 72.9 Ų | 72.9 | 56% | 0.556 | 41% | 0.412 | S | S | * | . | trans | -64.8 | 134.7 | 167.2 | -77.5 | -22.6 | 0 | 0 | 0 | 108.8 | R140 D144 | R140-D142 PolarHBondContact O-N 2.02Å; D142-D144 PolarHBondContact O-N 3.13Å; D142-D144 VanDerWaalsContact O-N 3.11Å | ||
| 143 | G | 41.5 | Very low | 57.6 | Low | 83 Ų | 83 | 72.9 Ų | 72.9 | 86% | 0.856 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -14.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L141 | L141-G143 PolarHBondContact O-N 3.44Š|
| 144 | D | 42.8 | Very low | 57.7 | Low | 146 Ų | 146 | 72.8 Ų | 72.8 | 78% | 0.781 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 21.8 | -168 | -100.3 | -1.2 | 0 | 0 | 0 | 115.7 | D142 T146 | D142-D144 PolarHBondContact O-N 3.13Å; D142-D144 VanDerWaalsContact O-N 3.11Å; D144-T146 PolarHBondContact O-N 3.45Å |
| 145 | G | 41.2 | Very low | 58.2 | Low | 35 Ų | 35 | 76.3 Ų | 76.3 | 36% | 0.361 | 43% | 0.426 | S | S | . | . | trans | 77 | -14.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 146 | T | 39.5 | Very low | 59 | Low | 97 Ų | 97 | 76 Ų | 76 | 60% | 0.595 | 43% | 0.425 | S | S | * | . | trans | -71.8 | 146.5 | -169.5 | 50 | 0 | 0 | 0 | 0 | 113.6 | D144 | D144-T146 PolarHBondContact O-N 3.45Š| ||
| 147 | F | 48.2 | Very low | 60.1 | Low | 22 Ų | 22 | 76.5 Ų | 76.5 | 10% | 0.096 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -89.2 | -24.2 | -146.1 | -125.4 | -113.7 | 0 | 0 | 0 | 117.7 | E30 H32 I75 E149 | E30-F147 HydrophobicContact CB-CE1 3.33Å; E30-F147 HydrophobicContact CB-CE2 4.36Å; E30-F147 HydrophobicContact CB-CZ 3.14Å; E30-F147 VanDerWaalsContact CD-CE1 3.43Å; E30-F147 HydrophobicContact CG-CE1 3.31Å; E30-F147 HydrophobicContact CG-CE2 4.49Å; E30-F147 HydrophobicContact CG-CZ 3.22Å; E30-F147 WeakPolarHBondContact OE1-CZ 3.44Å; E30-F147 WeakPolarHBondContact OE2-CZ 3.13Å; H32-F147 AromaticContact CE1-CE2 3.49Å; H32-F147 VanDerWaalsContact CE1-CE2 3.49Å; H32-F147 WeakPolarHBondContact CE1-CE2 3.21Å; H32-F147 AromaticContact CE1-CZ 3.85Å; H32-F147 AromaticContact NE2-CD2 3.76Å; H32-F147 AromaticContact NE2-CE2 2.97Å; H32-F147 WeakPolarHBondContact NE2-CE2 3.18Å; H32-F147 AromaticContact NE2-CZ 3.1Å; H32-F147 WeakPolarHBondContact NE2-CZ 3.36Å; I75-F147 HydrophobicContact CB-CD1 4.02Å; I75-F147 HydrophobicContact CB-CE1 4.36Å; I75-F147 HydrophobicContact CB-CG 4.31Å; I75-F147 HydrophobicContact CD1-CB 4.43Å; I75-F147 HydrophobicContact CD1-CD2 4.46Å; I75-F147 HydrophobicContact CD1-CG 4.33Å; I75-F147 HydrophobicContact CG2-CB 3.75Å; I75-F147 HydrophobicContact CG2-CD1 3.72Å; I75-F147 HydrophobicContact CG2-CG 3.9Å; F147-E149 VanDerWaalsContact C-N 3.3Å; F147-E149 PolarHBondContact O-N 2.91Å |
| 148 | T | 45.5 | Very low | 61.7 | Low | 78 Ų | 78 | 72 Ų | 72 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -16.7 | -155.9 | 37.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 149 | E | 50 | Low | 63.4 | Low | 120 Ų | 120 | 69.7 Ų | 69.7 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | 6.2 | -173 | -55.8 | -170 | 162.9 | 0 | 0 | 114.6 | V139 F147 | V139-E149 HydrophobicContact CG1-CB 3.77Å; V139-E149 WeakPolarHBondContact CG1-O 3.49Å; F147-E149 VanDerWaalsContact C-N 3.3Å; F147-E149 PolarHBondContact O-N 2.91Å |
| 150 | R | 61.8 | Low | 65.1 | Low | 76 Ų | 76 | 68.2 Ų | 68.2 | 29% | 0.287 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -77 | -31 | -172.3 | -72.6 | -176 | 172.6 | -159.1 | -13.4 | 114.2 | K135 | K135-R150 VanDerWaalsContact CB-O 3.26Å; K135-R150 WeakPolarHBondContact CB-O 3.39Å; K135-R150 WeakPolarHBondContact CD-O 2.96Å; K135-R150 VanDerWaalsContact CG-O 3.26Å; K135-R150 WeakPolarHBondContact CG-O 3.37Å |
| 151 | F | 72 | Confident | 67 | Low | 32 Ų | 32 | 62 Ų | 62 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | trans | -129.4 | 129.5 | -174.2 | -55.9 | -74.6 | 0 | 0 | 0 | 110 | I28 F80 L133 F134 V181 | I28-F151 HydrophobicContact CD1-CB 3.59Å; I28-F151 HydrophobicContact CD1-CD1 4.28Å; I28-F151 HydrophobicContact CD1-CD2 3.71Å; I28-F151 HydrophobicContact CD1-CE2 4.44Å; I28-F151 HydrophobicContact CD1-CG 3.61Å; F80-F151 HydrophobicContact CE1-CB 4.45Å; F80-F151 WeakPolarHBondContact CE1-O 3.04Å; F80-F151 HydrophobicContact CZ-CB 4.25Å; L133-F151 HydrophobicContact CB-CD1 3.57Å; L133-F151 HydrophobicContact CB-CE1 3.54Å; L133-F151 HydrophobicContact CD1-CD1 4.22Å; L133-F151 HydrophobicContact CD1-CE1 3.64Å; L133-F151 HydrophobicContact CD1-CZ 3.88Å; L133-F151 HydrophobicContact CG-CD1 4.49Å; L133-F151 HydrophobicContact CG-CE1 4.24Å; F134-F151 CarbonylContact O-C 3.57Å; F134-F151 WeakPolarHBondContact O-CA 3.09Å; F151-V181 HydrophobicContact CD1-CB 4.02Å; F151-V181 HydrophobicContact CD1-CG1 4.18Å; F151-V181 HydrophobicContact CD1-CG2 4.22Å; F151-V181 HydrophobicContact CE1-CB 3.56Å; F151-V181 HydrophobicContact CE1-CG1 3.36Å; F151-V181 HydrophobicContact CE1-CG2 4.2Å; F151-V181 HydrophobicContact CZ-CG1 3.92Å | ||
| 152 | T | 76.3 | Confident | 68.6 | Low | 43 Ų | 43 | 61.9 Ų | 61.9 | 26% | 0.264 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -105.5 | -18 | 176.9 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | F80 F134 K135 D136 | F80-T152 WeakPolarHBondContact CD1-O 3.45Å; F134-T152 PolarHBondContact O-N 2.79Å; K135-T152 WeakPolarHBondContact CA-OG1 3.36Å; D136-T152 HydrophobicContact CB-CG2 3.96Å; D136-T152 PolarHBondContact N-OG1 3.29Å |
| 153 | Q | 83.1 | Confident | 70.5 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 16% | 0.159 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 147.8 | 175.9 | -166.2 | -177.3 | 37.9 | 0 | 0 | 110.9 | E24 F134 M178 | E24-Q153 PolarHBondContact OE1-NE2 3.16Å; F134-Q153 HydrophobicContact CB-CB 4.06Å; F134-Q153 HydrophobicContact CD2-CB 4.06Å; F134-Q153 HydrophobicContact CD2-CG 4.34Å; F134-Q153 HydrophobicContact CG-CB 4.42Å; F134-Q153 PolarHBondContact N-O 2.85Å; F134-Q153 PolarHBondContact O-N 2.84Å; Q153-M178 HydrophobicContact CB-SD 4.49Å; Q153-M178 VanDerWaalsContact OE1-CE 3.32Å |
| 154 | A | 87.7 | Confident | 72.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 135.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A25 I28 F80 L111 L133 | A25-A154 HydrophobicContact CB-CB 3.92Å; A25-A154 PolarHBondContact N-O 2.78Å; I28-A154 HydrophobicContact CD1-CB 3.96Å; I28-A154 HydrophobicContact CG1-CB 4Å; F80-A154 HydrophobicContact CE2-CB 4.09Å; L111-A154 HydrophobicContact CD2-CB 3.83Å; L133-A154 HydrophobicContact CD2-CB 3.55Å |
| 155 | R | 89.8 | Confident | 75 | Confident | 79 Ų | 79 | 53.8 Ų | 53.8 | 30% | 0.298 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 134.7 | -177 | -159.6 | 168.6 | -175 | 174.8 | 7.8 | 111.4 | T23 E24 V131 R132 F134 W157 | T23-R155 CarbonylContact O-C 3.47Å; T23-R155 WeakPolarHBondContact O-CA 3.25Å; T23-R155 VanDerWaalsContact O-CG 3.25Å; T23-R155 WeakPolarHBondContact O-CG 2.98Å; T23-R155 PolarHBondContact OG1-NE 3.35Å; T23-R155 PolarHBondContact OG1-NH2 3.03Å; E24-R155 HydrophobicContact CG-CG 4.3Å; V131-R155 CarbonylContact C-O 3.56Å; V131-R155 VanDerWaalsContact CA-O 3.28Å; V131-R155 WeakPolarHBondContact CA-O 3.33Å; R132-R155 PolarHBondContact N-O 2.83Å; R132-R155 PolarHBondContact O-N 3.29Å; F134-R155 HydrophobicContact CE2-CB 4.04Å; R155-W157 HydrophobicContact CB-CE3 4.4Å; R155-W157 HydrophobicContact CB-CH2 3.74Å; R155-W157 HydrophobicContact CB-CZ2 4.42Å; R155-W157 HydrophobicContact CB-CZ3 3.72Å; R155-W157 HydrophobicContact CG-CD2 4.41Å; R155-W157 HydrophobicContact CG-CE3 4.25Å; R155-W157 HydrophobicContact CG-CH2 3.78Å; R155-W157 HydrophobicContact CG-CZ2 3.96Å; R155-W157 HydrophobicContact CG-CZ3 3.92Å; R155-W157 WeakPolarHBondContact O-CZ3 3.41Å |
| 156 | I | 91.9 | Very high | 77.3 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.2 | 177.3 | -179.3 | 165.7 | 0 | 0 | 0 | 109.6 | T23 V103 L111 L113 L120 V130 V131 C158 M159 Y165 | T23-I156 VanDerWaalsContact CA-O 3.28Å; T23-I156 WeakPolarHBondContact CA-O 3.28Å; T23-I156 WeakPolarHBondContact CB-O 3.3Å; T23-I156 WeakPolarHBondContact CG2-O 3.08Å; T23-I156 PolarHBondContact O-N 2.76Å; T23-I156 VanDerWaalsContact O-O 3.12Å; V103-I156 HydrophobicContact CB-CD1 4.44Å; V103-I156 HydrophobicContact CG1-CD1 3.85Å; V103-I156 HydrophobicContact CG2-CD1 4.25Å; L111-I156 HydrophobicContact CD1-CB 4.45Å; L113-I156 HydrophobicContact CD1-CG2 4.37Å; L113-I156 HydrophobicContact CD2-CG2 3.79Å; L120-I156 HydrophobicContact CD1-CB 4.49Å; L120-I156 HydrophobicContact CD1-CD1 3.93Å; L120-I156 HydrophobicContact CD1-CG1 3.98Å; L120-I156 HydrophobicContact CD1-CG2 3.73Å; V130-I156 WeakPolarHBondContact O-CA 3.35Å; V131-I156 HydrophobicContact CG2-CB 4.03Å; V131-I156 HydrophobicContact CG2-CD1 3.9Å; V131-I156 HydrophobicContact CG2-CG1 3.76Å; I156-C158 WeakPolarHBondContact CG1-O 3.46Å; I156-M159 HydrophobicContact CD1-SD 3.95Å; I156-Y165 HydrophobicContact CD1-CE1 4.37Å; I156-Y165 WeakPolarHBondContact CD1-OH 3.4Å |
| 157 | W | 89.8 | Confident | 79.5 | Confident | 87 Ų | 87 | 60.5 Ų | 60.5 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | trans | -97.7 | -28.7 | -177.1 | -77.4 | -95.6 | 0 | 0 | 0 | 113.4 | V130 R132 F134 R155 | V130-W157 PolarHBondContact O-N 2.83Å; R132-W157 HydrophobicContact CB-CH2 4.1Å; R132-W157 HydrophobicContact CB-CZ3 3.77Å; R132-W157 HydrophobicContact CG-CH2 3.93Å; R132-W157 HydrophobicContact CG-CZ3 3.52Å; F134-W157 HydrophobicContact CZ-CH2 4.34Å; R155-W157 HydrophobicContact CB-CE3 4.4Å; R155-W157 HydrophobicContact CB-CH2 3.74Å; R155-W157 HydrophobicContact CB-CZ2 4.42Å; R155-W157 HydrophobicContact CB-CZ3 3.72Å; R155-W157 HydrophobicContact CG-CD2 4.41Å; R155-W157 HydrophobicContact CG-CE3 4.25Å; R155-W157 HydrophobicContact CG-CH2 3.78Å; R155-W157 HydrophobicContact CG-CZ2 3.96Å; R155-W157 HydrophobicContact CG-CZ3 3.92Å; R155-W157 WeakPolarHBondContact O-CZ3 3.41Å | ||
| 158 | C | 91.3 | Very high | 81 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 11% | 0.108 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -153 | 159.1 | -179.2 | 62.3 | 0 | 0 | 0 | 0 | 111.1 | V121 C123 V130 I156 Y165 | V121-C158 HydrophobicContact CG2-CB 4.23Å; V121-C158 CarbonylContact O-C 3.5Å; V121-C158 WeakPolarHBondContact O-CA 3.31Å; V121-C158 WeakPolarHBondContact O-CB 3.47Å; C123-C158 WeakPolarHBondContact CA-SG 3.45Å; C123-C158 HydrophobicContact CB-CB 3.98Å; C123-C158 WeakPolarHBondContact CB-SG 3.03Å; C123-C158 WeakPolarHBondContact SG-CB 3.39Å; C123-C158 PolarHBondContact SG-O 2.92Å; C123-C158 VanDerWaalsContact SG-O 3.39Å; C123-C158 CovalentContact SG-SG 2.04Å; C123-C158 PolarHBondContact SG-SG 2.87Å; V130-C158 VanDerWaalsContact CB-SG 3.53Å; V130-C158 WeakPolarHBondContact CG1-SG 3.39Å; I156-C158 WeakPolarHBondContact CG1-O 3.46Å; C158-Y165 PolarHBondContact O-OH 2.78Å |
| 159 | M | 91.4 | Very high | 82.3 | Confident | 24 Ų | 24 | 66.7 Ų | 66.7 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -91.6 | 128.9 | 176.5 | -79.9 | -65.8 | -68.2 | 0 | 0 | 112 | V103 R117 L120 V121 P122 C123 I156 T161 Y165 | V103-M159 HydrophobicContact CB-SD 4.47Å; V103-M159 HydrophobicContact CG1-CE 4.35Å; V103-M159 HydrophobicContact CG1-SD 3.93Å; V103-M159 HydrophobicContact CG2-CE 4.25Å; V103-M159 HydrophobicContact CG2-SD 3.65Å; R117-M159 HydrophobicContact CB-CE 3.98Å; R117-M159 HydrophobicContact CB-CG 4.48Å; R117-M159 HydrophobicContact CB-SD 4.01Å; R117-M159 HydrophobicContact CG-CE 4.01Å; R117-M159 WeakPolarHBondContact O-CG 3.47Å; L120-M159 HydrophobicContact CB-CB 4.46Å; L120-M159 HydrophobicContact CB-CG 3.67Å; L120-M159 HydrophobicContact CD1-CG 3.84Å; L120-M159 HydrophobicContact CD1-SD 4.09Å; L120-M159 HydrophobicContact CG-CG 4.39Å; V121-M159 PolarHBondContact O-N 3.09Å; P122-M159 WeakPolarHBondContact CA-O 3.22Å; C123-M159 PolarHBondContact N-O 3.29Å; C123-M159 VanDerWaalsContact SG-C 3.5Å; C123-M159 PolarHBondContact SG-O 2.78Å; I156-M159 HydrophobicContact CD1-SD 3.95Å; M159-T161 HydrophobicContact CB-CG2 4.17Å; M159-T161 PolarHBondContact O-N 2.75Å; M159-T161 VanDerWaalsContact O-N 3.14Å; M159-Y165 WeakPolarHBondContact CA-OH 3.5Å; M159-Y165 PolarHBondContact SD-OH 3.2Å |
| 160 | C | 89 | Confident | 82.9 | Confident | 12 Ų | 12 | 64.5 Ų | 64.5 | 8% | 0.081 | 31% | 0.31 | C | S | . | . | trans | -80.7 | 87.4 | 172.9 | -161.1 | 0 | 0 | 0 | 0 | 109.6 | G163 Y165 C186 | C160-G163 VanDerWaalsContact SG-C 3.52Å; C160-Y165 HydrophobicContact CB-CD1 4.03Å; C160-Y165 HydrophobicContact CB-CD2 4.35Å; C160-Y165 HydrophobicContact CB-CE1 3.61Å; C160-Y165 HydrophobicContact CB-CE2 3.97Å; C160-Y165 HydrophobicContact CB-CG 4.38Å; C160-Y165 PolarHBondContact N-OH 3.26Å; C160-C186 WeakPolarHBondContact CA-SG 3.38Å; C160-C186 HydrophobicContact CB-CB 3.73Å; C160-C186 WeakPolarHBondContact CB-SG 3.06Å; C160-C186 WeakPolarHBondContact SG-CA 3.28Å; C160-C186 WeakPolarHBondContact SG-CB 3.37Å; C160-C186 CovalentContact SG-SG 2.02Å; C160-C186 PolarHBondContact SG-SG 3.01Å | ||
| 161 | T | 85.4 | Confident | 82.6 | Confident | 91 Ų | 91 | 67 Ų | 67 | 56% | 0.558 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -88 | -23.4 | -174.8 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | P122 M159 | P122-T161 HydrophobicContact CB-CG2 4.38Å; M159-T161 HydrophobicContact CB-CG2 4.17Å; M159-T161 PolarHBondContact O-N 2.75Å; M159-T161 VanDerWaalsContact O-N 3.14Å |
| 162 | L | 80.1 | Confident | 81.7 | Confident | 121 Ų | 121 | 68.4 Ų | 68.4 | 63% | 0.634 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -112.2 | 25 | -176.8 | -63.3 | 174.3 | 0 | 0 | 0 | 112.2 | L189 | L162-L189 PolarHBondContact O-N 3.11Š|
| 163 | G | 83.4 | Confident | 80.4 | Confident | 15 Ų | 15 | 72.3 Ų | 72.3 | 16% | 0.155 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.2 | -171.1 | -163.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C160 S187 | C160-G163 VanDerWaalsContact SG-C 3.52Å; G163-S187 WeakPolarHBondContact CA-O 3.44Å |
| 164 | E | 88.2 | Confident | 78.9 | Confident | 125 Ų | 125 | 76 Ų | 76 | 58% | 0.584 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 152.7 | 175.5 | -62.8 | -175.8 | 165.1 | 0 | 0 | 110 | K166 S187 L189 | E164-K166 PolarHBondContact O-N 3.46Å; E164-S187 PolarHBondContact N-O 3.3Å; E164-S187 PolarHBondContact O-N 2.73Å; E164-S187 PolarHBondContact O-OG 3.36Å; E164-S187 VanDerWaalsContact O-OG 3.13Å; E164-L189 HydrophobicContact CG-CD1 4.23Å; E164-L189 HydrophobicContact CG-CG 4.48Å |
| 165 | Y | 89.8 | Confident | 77 | Confident | 23 Ų | 23 | 80 Ų | 80 | 9% | 0.09 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 124.8 | 169.2 | -62.1 | -79 | 0 | 0 | 0 | 108.6 | V103 R104 L105 V130 V131 I156 C158 M159 C160 | V103-Y165 HydrophobicContact CG1-CD2 4.44Å; V103-Y165 HydrophobicContact CG1-CE2 3.53Å; R104-Y165 VanDerWaalsContact O-CD2 3.31Å; R104-Y165 WeakPolarHBondContact O-CD2 3.37Å; L105-Y165 HydrophobicContact CD2-CD1 4.32Å; L105-Y165 HydrophobicContact CD2-CD2 4.01Å; L105-Y165 HydrophobicContact CD2-CE2 4.37Å; L105-Y165 HydrophobicContact CD2-CG 3.97Å; L105-Y165 WeakPolarHBondContact O-CB 3.37Å; V130-Y165 HydrophobicContact CG2-CD1 3.98Å; V130-Y165 HydrophobicContact CG2-CE1 3.87Å; V131-Y165 HydrophobicContact CG2-CD1 3.93Å; V131-Y165 HydrophobicContact CG2-CE1 3.78Å; I156-Y165 HydrophobicContact CD1-CE1 4.37Å; I156-Y165 WeakPolarHBondContact CD1-OH 3.4Å; C158-Y165 PolarHBondContact O-OH 2.78Å; M159-Y165 WeakPolarHBondContact CA-OH 3.5Å; M159-Y165 PolarHBondContact SD-OH 3.2Å; C160-Y165 HydrophobicContact CB-CD1 4.03Å; C160-Y165 HydrophobicContact CB-CD2 4.35Å; C160-Y165 HydrophobicContact CB-CE1 3.61Å; C160-Y165 HydrophobicContact CB-CE2 3.97Å; C160-Y165 HydrophobicContact CB-CG 4.38Å; C160-Y165 PolarHBondContact N-OH 3.26Å |
| 166 | K | 88.6 | Confident | 75.4 | Confident | 138 Ų | 138 | 86.9 Ų | 86.9 | 60% | 0.6 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129.4 | 175.8 | -169.5 | 173.8 | -176.9 | 172.6 | 0 | 109.2 | E164 S168 Y184 T185 | E164-K166 PolarHBondContact O-N 3.46Å; K166-S168 PolarHBondContact O-N 2.94Å; K166-S168 VanDerWaalsContact O-N 3.16Å; K166-Y184 CarbonylContact O-C 3.48Å; K166-Y184 VanDerWaalsContact O-CA 3.28Å; K166-Y184 WeakPolarHBondContact O-CA 3.36Å; K166-T185 PolarHBondContact N-O 3.34Å; K166-T185 PolarHBondContact O-N 2.9Å; K166-T185 PolarHBondContact O-OG1 3.07Å |
| 167 | K | 86 | Confident | 73.7 | Confident | 135 Ų | 135 | 88.6 Ų | 88.6 | 59% | 0.587 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 121.1 | 175 | -164.8 | 170.9 | -176.7 | 173 | 0 | 109.1 | Y184 | K167-Y184 HydrophobicContact CB-CD1 4.16Å; K167-Y184 HydrophobicContact CB-CE1 3.97Å; K167-Y184 HydrophobicContact CG-CE1 4.32Å |
| 168 | S | 79.3 | Confident | 72.3 | Confident | 23 Ų | 23 | 86.6 Ų | 86.6 | 16% | 0.161 | 44% | 0.436 | C | S | . | . | trans | -82.7 | 144.4 | -179.2 | 175.9 | 0 | 0 | 0 | 0 | 109.9 | K166 V170 T183 | K166-S168 PolarHBondContact O-N 2.94Å; K166-S168 VanDerWaalsContact O-N 3.16Å; S168-V170 WeakPolarHBondContact OG-CB 3.42Å; S168-V170 VanDerWaalsContact OG-CG2 3.3Å; S168-V170 WeakPolarHBondContact OG-CG2 3.17Å; S168-V170 PolarHBondContact OG-N 2.91Å; S168-T183 WeakPolarHBondContact CB-O 3.48Å; S168-T183 WeakPolarHBondContact CB-OG1 2.97Å; S168-T183 PolarHBondContact N-O 2.94Å | ||
| 169 | K | 72.9 | Confident | 71 | Confident | 206 Ų | 206 | 90 Ų | 90 | 90% | 0.896 | 45% | 0.45 | S | S | * | . | trans | -81.2 | -4.6 | 170.8 | -64.7 | -173.1 | 178.9 | -175.6 | 0 | 112.4 | T171 | K169-T171 PolarHBondContact O-N 3.44Å; K169-T171 VanDerWaalsContact O-N 3.09Å | ||
| 170 | V | 64 | Low | 69.8 | Low | 75 Ų | 75 | 89.9 Ų | 89.9 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | trans | -73.8 | 104.4 | -179.2 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | S168 E172 T183 | S168-V170 WeakPolarHBondContact OG-CB 3.42Å; S168-V170 VanDerWaalsContact OG-CG2 3.3Å; S168-V170 WeakPolarHBondContact OG-CG2 3.17Å; S168-V170 PolarHBondContact OG-N 2.91Å; V170-E172 VanDerWaalsContact C-N 3.31Å; V170-E172 HydrophobicContact CG1-CG 3.65Å; V170-E172 PolarHBondContact O-N 2.74Å; V170-E172 VanDerWaalsContact O-N 3.12Å; V170-T183 PolarHBondContact O-OG1 3.38Å | ||
| 171 | T | 55.3 | Low | 69.1 | Low | 128 Ų | 128 | 92.1 Ų | 92.1 | 79% | 0.785 | 46% | 0.463 | S | S | * | . | trans | -74.4 | 84.7 | 162.4 | 33.3 | 0 | 0 | 0 | 0 | 108.2 | K169 | K169-T171 PolarHBondContact O-N 3.44Å; K169-T171 VanDerWaalsContact O-N 3.09Å | ||
| 172 | E | 52.8 | Low | 68.8 | Low | 62 Ų | 62 | 88.1 Ų | 88.1 | 29% | 0.29 | 44% | 0.439 | S | S | . | . | trans | -69.2 | 135.5 | 171.3 | -76.9 | -163.9 | -171.7 | 0 | 0 | 110.2 | R132 V170 H180 | R132-E172 IonicContact CZ-OE2 2.95Å; R132-E172 IonicContact NE-OE2 3.98Å; R132-E172 IonicContact NH1-OE2 2.72Å; R132-E172 PolarHBondContact NH1-OE2 2.89Å; R132-E172 VanDerWaalsContact NH2-CD 3.33Å; R132-E172 IonicContact NH2-OE1 3.25Å; R132-E172 PolarHBondContact NH2-OE1 2.76Å; R132-E172 IonicContact NH2-OE2 2.7Å; R132-E172 PolarHBondContact NH2-OE2 2.83Å; V170-E172 VanDerWaalsContact C-N 3.31Å; V170-E172 HydrophobicContact CG1-CG 3.65Å; V170-E172 PolarHBondContact O-N 2.74Å; V170-E172 VanDerWaalsContact O-N 3.12Å; E172-H180 PolarHBondContact O-CD2 2.97Å | ||
| 173 | V | 49.7 | Very low | 69.1 | Low | 124 Ų | 124 | 82.6 Ų | 82.6 | 75% | 0.752 | 41% | 0.41 | S | S | * | . | trans | -78.2 | 129.2 | -175.7 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 174 | W | 50.5 | Low | 69.3 | Low | 112 Ų | 112 | 82.1 Ų | 82.1 | 42% | 0.424 | 40% | 0.404 | S | S | . | . | trans | 11.3 | 121 | 163.3 | -63 | 92.8 | 0 | 0 | 0 | 119.2 | L137 M178 Q179 | L137-W174 HydrophobicContact CD1-CE3 4.49Å; L137-W174 HydrophobicContact CD1-CH2 4.42Å; L137-W174 HydrophobicContact CD1-CZ3 3.89Å; L137-W174 HydrophobicContact CD2-CE3 4.27Å; L137-W174 HydrophobicContact CD2-CH2 2.98Å; L137-W174 HydrophobicContact CD2-CZ2 3.75Å; L137-W174 HydrophobicContact CD2-CZ3 3.31Å; L137-W174 HydrophobicContact CG-CE3 4.3Å; L137-W174 HydrophobicContact CG-CH2 3.47Å; L137-W174 VanDerWaalsContact CG-CH2 3.47Å; L137-W174 HydrophobicContact CG-CZ3 3.29Å; W174-M178 VanDerWaalsContact CE3-C 3.44Å; W174-M178 WeakPolarHBondContact CZ3-O 3.49Å; W174-Q179 HydrophobicContact CH2-CB 3.33Å; W174-Q179 HydrophobicContact CH2-CG 3.57Å; W174-Q179 HydrophobicContact CZ2-CB 3.92Å; W174-Q179 HydrophobicContact CZ2-CG 3.59Å; W174-Q179 HydrophobicContact CZ3-CB 3.7Å; W174-Q179 HydrophobicContact CZ3-CG 4.28Å | ||
| 175 | M | 48.1 | Very low | 69.4 | Low | 84 Ų | 84 | 77.3 Ų | 77.3 | 41% | 0.414 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -119.7 | 127.7 | 156.7 | -76.2 | -159.6 | -62.9 | 0 | 0 | 109.7 | G177 M178 | M175-G177 PolarHBondContact O-N 2.94Å; M175-M178 PolarHBondContact O-N 2.86Å |
| 176 | Y | 56 | Low | 69.3 | Low | 224 Ų | 224 | 76.3 Ų | 76.3 | 88% | 0.878 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 42.4 | 168.8 | -64.2 | -81.8 | 0 | 0 | 0 | 116.4 | M178 | Y176-M178 VanDerWaalsContact C-N 3.27Å; Y176-M178 PolarHBondContact O-N 3.14Å |
| 177 | G | 57.1 | Low | 69.2 | Low | 36 Ų | 36 | 71.6 Ų | 71.6 | 37% | 0.371 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 12.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L137 M175 | L137-G177 VanDerWaalsContact CD1-CA 3.5Å; L137-G177 WeakPolarHBondContact CD1-O 3.39Å; L137-G177 WeakPolarHBondContact CG-O 3.4Å; M175-G177 PolarHBondContact O-N 2.94Å |
| 178 | M | 58.6 | Low | 68.6 | Low | 44 Ų | 44 | 72.9 Ų | 72.9 | 22% | 0.217 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.1 | 172.7 | -68.2 | -174.9 | -75.4 | 0 | 0 | 111.1 | F134 K135 Q153 W174 M175 Y176 | F134-M178 HydrophobicContact CB-CB 4.25Å; F134-M178 HydrophobicContact CB-SD 4.28Å; F134-M178 HydrophobicContact CD1-CB 4.15Å; K135-M178 CarbonylContact O-C 3.56Å; K135-M178 WeakPolarHBondContact O-CA 3.44Å; Q153-M178 HydrophobicContact CB-SD 4.49Å; Q153-M178 VanDerWaalsContact OE1-CE 3.32Å; W174-M178 VanDerWaalsContact CE3-C 3.44Å; W174-M178 WeakPolarHBondContact CZ3-O 3.49Å; M175-M178 PolarHBondContact O-N 2.86Å; Y176-M178 VanDerWaalsContact C-N 3.27Å; Y176-M178 PolarHBondContact O-N 3.14Å |
| 179 | Q | 63.9 | Low | 67.9 | Low | 87 Ų | 87 | 76 Ų | 76 | 41% | 0.407 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 134.7 | 178.5 | -157.8 | 168.5 | -5.3 | 0 | 0 | 110 | F134 K135 W174 V181 | F134-Q179 CarbonylContact C-O 3.55Å; F134-Q179 VanDerWaalsContact CA-O 3.31Å; F134-Q179 WeakPolarHBondContact CA-O 3.3Å; K135-Q179 PolarHBondContact N-O 2.73Å; K135-Q179 PolarHBondContact O-N 2.8Å; W174-Q179 HydrophobicContact CH2-CB 3.33Å; W174-Q179 HydrophobicContact CH2-CG 3.57Å; W174-Q179 HydrophobicContact CZ2-CB 3.92Å; W174-Q179 HydrophobicContact CZ2-CG 3.59Å; W174-Q179 HydrophobicContact CZ3-CB 3.7Å; W174-Q179 HydrophobicContact CZ3-CG 4.28Å; Q179-V181 PolarHBondContact O-N 3.16Å |
| 180 | H | 67.1 | Low | 67.1 | Low | 23 Ų | 23 | 78 Ų | 78 | 11% | 0.106 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 119 | 167.4 | -79.6 | -70.4 | 0 | 0 | 0 | 110.1 | R132 F134 E172 | R132-H180 VanDerWaalsContact CD-CE1 3.43Å; R132-H180 WeakPolarHBondContact CD-CE1 3.01Å; F134-H180 AromaticContact CD1-CE1 3.75Å; F134-H180 AromaticContact CD1-ND1 3.99Å; F134-H180 AromaticContact CE1-CE1 3.07Å; F134-H180 WeakPolarHBondContact CE1-CE1 3.1Å; F134-H180 AromaticContact CE1-ND1 3.74Å; F134-H180 AromaticContact CE1-NE2 3.61Å; F134-H180 AromaticContact CZ-CE1 3.57Å; E172-H180 PolarHBondContact O-CD2 2.97Å |
| 181 | V | 74.2 | Confident | 67.3 | Low | 58 Ų | 58 | 78.1 Ų | 78.1 | 35% | 0.352 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -43 | 174.4 | 179 | 0 | 0 | 0 | 0 | 110.7 | L133 K135 F151 Q179 | L133-V181 PolarHBondContact O-N 3.18Å; K135-V181 HydrophobicContact CB-CG2 3.36Å; K135-V181 HydrophobicContact CD-CG2 4.16Å; K135-V181 HydrophobicContact CG-CG2 4.36Å; F151-V181 HydrophobicContact CD1-CB 4.02Å; F151-V181 HydrophobicContact CD1-CG1 4.18Å; F151-V181 HydrophobicContact CD1-CG2 4.22Å; F151-V181 HydrophobicContact CE1-CB 3.56Å; F151-V181 HydrophobicContact CE1-CG1 3.36Å; F151-V181 HydrophobicContact CE1-CG2 4.2Å; F151-V181 HydrophobicContact CZ-CG1 3.92Å; Q179-V181 PolarHBondContact O-N 3.16Å |
| 182 | A | 79.4 | Confident | 67.9 | Low | 8 Ų | 8 | 75.5 Ų | 75.5 | 7% | 0.066 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 147.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L133 Y184 | L133-A182 HydrophobicContact CB-CB 4.43Å; L133-A182 HydrophobicContact CD1-CB 4.12Å; L133-A182 HydrophobicContact CG-CB 4.39Å; L133-A182 PolarHBondContact N-O 2.85Å; A182-Y184 HydrophobicContact CB-CE2 4.13Å |
| 183 | T | 85.4 | Confident | 68.7 | Low | 4 Ų | 4 | 76.2 Ų | 76.2 | 3% | 0.025 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 148.3 | 172.2 | 66.2 | 0 | 0 | 0 | 0 | 109 | P129 V131 R132 S168 V170 | P129-T183 HydrophobicContact CB-CG2 4.48Å; V131-T183 CarbonylContact O-C 3.51Å; V131-T183 WeakPolarHBondContact O-CA 3.25Å; R132-T183 HydrophobicContact CB-CG2 4.44Å; R132-T183 HydrophobicContact CG-CG2 4.07Å; S168-T183 WeakPolarHBondContact CB-O 3.48Å; S168-T183 WeakPolarHBondContact CB-OG1 2.97Å; S168-T183 PolarHBondContact N-O 2.94Å; V170-T183 PolarHBondContact O-OG1 3.38Å |
| 184 | Y | 88.5 | Confident | 69.8 | Low | 6 Ų | 6 | 73.4 Ų | 73.4 | 2% | 0.024 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135 | 177.4 | -55.8 | -108.8 | 0 | 0 | 0 | 110 | L105 P129 V130 V131 L133 K166 K167 A182 | L105-Y184 HydrophobicContact CB-CD1 4.34Å; L105-Y184 HydrophobicContact CB-CE1 4.07Å; L105-Y184 HydrophobicContact CD1-CD2 4.05Å; L105-Y184 HydrophobicContact CD1-CE2 3.74Å; P129-Y184 CarbonylContact C-O 3.59Å; P129-Y184 WeakPolarHBondContact CA-O 3.49Å; V130-Y184 WeakPolarHBondContact CG2-O 3.33Å; V130-Y184 PolarHBondContact N-O 3.13Å; V131-Y184 HydrophobicContact CB-CD2 4.15Å; V131-Y184 HydrophobicContact CB-CG 4.49Å; V131-Y184 HydrophobicContact CG1-CD2 4.03Å; V131-Y184 PolarHBondContact N-O 2.83Å; V131-Y184 PolarHBondContact O-N 3.23Å; L133-Y184 HydrophobicContact CD1-CE2 3.91Å; L133-Y184 HydrophobicContact CG-CE2 4.19Å; K166-Y184 CarbonylContact O-C 3.48Å; K166-Y184 VanDerWaalsContact O-CA 3.28Å; K166-Y184 WeakPolarHBondContact O-CA 3.36Å; K167-Y184 HydrophobicContact CB-CD1 4.16Å; K167-Y184 HydrophobicContact CB-CE1 3.97Å; K167-Y184 HydrophobicContact CG-CE1 4.32Å; A182-Y184 HydrophobicContact CB-CE2 4.13Å |
| 185 | T | 89.2 | Confident | 71.1 | Confident | 24 Ų | 24 | 71 Ų | 71 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 146.3 | 169.3 | 46.9 | 0 | 0 | 0 | 0 | 108.8 | K166 S187 | K166-T185 PolarHBondContact N-O 3.34Å; K166-T185 PolarHBondContact O-N 2.9Å; K166-T185 PolarHBondContact O-OG1 3.07Å; T185-S187 PolarHBondContact O-N 2.82Å |
| 186 | C | 89.7 | Confident | 72.6 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.007 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 118.1 | 168.4 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | C123 F126 V130 C160 | C123-C186 HydrophobicContact CB-CB 4.12Å; F126-C186 WeakPolarHBondContact CA-O 3.46Å; F126-C186 VanDerWaalsContact CB-O 3.22Å; F126-C186 WeakPolarHBondContact CB-O 3.49Å; F126-C186 HydrophobicContact CD1-CB 4.01Å; F126-C186 VanDerWaalsContact CD1-O 3.29Å; F126-C186 WeakPolarHBondContact CD1-O 3.42Å; V130-C186 HydrophobicContact CG2-CB 4.09Å; C160-C186 WeakPolarHBondContact CA-SG 3.38Å; C160-C186 HydrophobicContact CB-CB 3.73Å; C160-C186 WeakPolarHBondContact CB-SG 3.06Å; C160-C186 WeakPolarHBondContact SG-CA 3.28Å; C160-C186 WeakPolarHBondContact SG-CB 3.37Å; C160-C186 CovalentContact SG-SG 2.02Å; C160-C186 PolarHBondContact SG-SG 3.01Å |
| 187 | S | 84.7 | Confident | 73.8 | Confident | 40 Ų | 40 | 59.1 Ų | 59.1 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 130 | 171.9 | 54.3 | 0 | 0 | 0 | 0 | 109.8 | G163 E164 T185 | G163-S187 WeakPolarHBondContact CA-O 3.44Å; E164-S187 PolarHBondContact N-O 3.3Å; E164-S187 PolarHBondContact O-N 2.73Å; E164-S187 PolarHBondContact O-OG 3.36Å; E164-S187 VanDerWaalsContact O-OG 3.13Å; T185-S187 PolarHBondContact O-N 2.82Å |
| 188 | R | 73.3 | Confident | 75.1 | Confident | 161 Ų | 161 | 60.9 Ų | 60.9 | 61% | 0.608 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 137.4 | 167.4 | -80.8 | -172.7 | 174.8 | 171.4 | -2 | 109.3 | F126 F190 | F126-R188 HydrophobicContact CD1-CG 3.82Å; F126-R188 HydrophobicContact CD2-CG 4.06Å; F126-R188 HydrophobicContact CE1-CG 3.6Å; F126-R188 HydrophobicContact CE2-CG 3.89Å; F126-R188 HydrophobicContact CG-CG 4.06Å; F126-R188 HydrophobicContact CZ-CG 3.65Å; F126-R188 VanDerWaalsContact CZ-NE 3.27Å; R188-F190 PolarHBondContact O-N 3.11Å |
| 189 | L | 65.7 | Low | 76.4 | Confident | 89 Ų | 89 | 62.3 Ų | 62.3 | 47% | 0.466 | 30% | 0.297 | S | S | . | . | trans | -73.3 | -6.8 | 174.5 | -87.8 | 157.8 | 0 | 0 | 0 | 113.3 | L162 E164 | L162-L189 PolarHBondContact O-N 3.11Å; E164-L189 HydrophobicContact CG-CD1 4.23Å; E164-L189 HydrophobicContact CG-CG 4.48Å | ||
| 190 | F | 56.1 | Low | 77.6 | Confident | 247 Ų | 247 | 60.1 Ų | 60.1 | 100% | 1.083 | 29% | 0.288 | S | S | * | . | trans | -150.4 | 0 | -176.1 | -54.2 | -80.6 | 0 | 0 | 0 | 111.7 | R188 | R188-F190 PolarHBondContact O-N 3.11Š|
Retrieved 190 of 190 residues in 76.4 ms
(Link to these results)