| 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 | 57.8 | Low | 73.6 | Confident | 206 Ų | 206 | 112.3 Ų | 112.3 | 100% | 1.015 | 63% | 0.632 | S | S | * | * | 0 | -36.4 | 0 | -63.2 | -177.4 | 70.5 | 0 | 0 | 113.4 | |||||
| 2 | S | 67.1 | Low | 73.9 | Confident | 104 Ų | 104 | 111.1 Ų | 111.1 | 73% | 0.727 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.6 | -39.6 | -178.9 | 176.1 | 0 | 0 | 0 | 0 | 114.8 | Q4 V5 L6 | S2-Q4 PolarHBondContact O-N 3.32Å; S2-V5 PolarHBondContact O-N 3.42Å; S2-L6 PolarHBondContact O-N 3.09Å |
| 3 | N | 69.2 | Low | 73.8 | Confident | 135 Ų | 135 | 112.3 Ų | 112.3 | 72% | 0.722 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.5 | -28.1 | -173.3 | -139.9 | 38.7 | 0 | 0 | 0 | 114.6 | C7 | N3-C7 PolarHBondContact O-N 3.49Å |
| 4 | Q | 73.8 | Confident | 73.7 | Confident | 150 Ų | 150 | 113.7 Ų | 113.7 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.2 | -41.5 | 179.5 | -76 | 176.7 | -23.8 | 0 | 0 | 111.7 | S2 C7 C8 | S2-Q4 PolarHBondContact O-N 3.32Å; Q4-C7 WeakPolarHBondContact O-CB 3.37Å; Q4-C7 PolarHBondContact O-N 3.5Å; Q4-C8 PolarHBondContact O-N 3.38Å; Q4-C8 VanDerWaalsContact O-N 3.09Å; Q4-C8 PolarHBondContact O-SG 3.39Å; Q4-C8 VanDerWaalsContact O-SG 3.39Å |
| 5 | V | 76.5 | Confident | 73.3 | Confident | 98 Ų | 98 | 109.9 Ų | 109.9 | 59% | 0.594 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.6 | -43.2 | 180 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | S2 C7 C8 V9 | S2-V5 PolarHBondContact O-N 3.42Å; V5-C7 VanDerWaalsContact C-N 3.32Å; V5-C7 PolarHBondContact O-N 2.92Å; V5-C8 PolarHBondContact O-N 3.3Å; V5-V9 WeakPolarHBondContact O-CG2 3.48Å; V5-V9 PolarHBondContact O-N 3.37Å; V5-V9 VanDerWaalsContact O-N 3.12Å |
| 6 | L | 75.7 | Confident | 72.8 | Confident | 114 Ų | 114 | 107.7 Ų | 107.7 | 60% | 0.597 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62 | -40.9 | 177.7 | -165.6 | 71.3 | 0 | 0 | 0 | 111.6 | S2 C8 V9 V10 | S2-L6 PolarHBondContact O-N 3.09Å; L6-C8 PolarHBondContact O-N 3.4Å; L6-V9 PolarHBondContact O-N 3.08Å; L6-V10 WeakPolarHBondContact O-CG2 3.49Å; L6-V10 PolarHBondContact O-N 3.12Å; L6-V10 VanDerWaalsContact O-N 3.08Å |
| 7 | C | 78.8 | Confident | 72.2 | Confident | 75 Ų | 75 | 109.5 Ų | 109.5 | 51% | 0.507 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -61.2 | -44.2 | 176.5 | -167.7 | 0 | 0 | 0 | 0 | 112 | N3 Q4 V5 V9 V10 L11 | N3-C7 PolarHBondContact O-N 3.49Å; Q4-C7 WeakPolarHBondContact O-CB 3.37Å; Q4-C7 PolarHBondContact O-N 3.5Å; V5-C7 VanDerWaalsContact C-N 3.32Å; V5-C7 PolarHBondContact O-N 2.92Å; C7-V9 PolarHBondContact O-N 3.49Å; C7-V10 PolarHBondContact O-N 3.28Å; C7-L11 WeakPolarHBondContact O-CB 3.48Å; C7-L11 PolarHBondContact O-N 3.43Å |
| 8 | C | 78.5 | Confident | 71.8 | Confident | 79 Ų | 79 | 111.1 Ų | 111.1 | 53% | 0.534 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -60.5 | -45.3 | 176.7 | -69 | 0 | 0 | 0 | 0 | 112.5 | Q4 V5 L6 V10 L11 C12 | Q4-C8 PolarHBondContact O-N 3.38Å; Q4-C8 VanDerWaalsContact O-N 3.09Å; Q4-C8 PolarHBondContact O-SG 3.39Å; Q4-C8 VanDerWaalsContact O-SG 3.39Å; V5-C8 PolarHBondContact O-N 3.3Å; L6-C8 PolarHBondContact O-N 3.4Å; C8-V10 PolarHBondContact O-N 3.43Å; C8-L11 PolarHBondContact O-N 3.02Å; C8-C12 PolarHBondContact O-N 2.98Å; C8-C12 PolarHBondContact O-SG 3.25Å |
| 9 | V | 79.1 | Confident | 71.2 | Confident | 80 Ų | 80 | 112.2 Ų | 112.2 | 49% | 0.485 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -64.2 | -42.4 | 179.9 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | V5 L6 C7 C12 L13 | V5-V9 WeakPolarHBondContact O-CG2 3.48Å; V5-V9 PolarHBondContact O-N 3.37Å; V5-V9 VanDerWaalsContact O-N 3.12Å; L6-V9 PolarHBondContact O-N 3.08Å; C7-V9 PolarHBondContact O-N 3.49Å; V9-C12 PolarHBondContact O-N 3.31Å; V9-L13 HydrophobicContact CG1-CD1 4.19Å; V9-L13 WeakPolarHBondContact O-CG 3.47Å; V9-L13 PolarHBondContact O-N 3.5Å; V9-L13 VanDerWaalsContact O-N 3.09Å |
| 10 | V | 76.9 | Confident | 71 | Confident | 73 Ų | 73 | 112.1 Ų | 112.1 | 44% | 0.442 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -64.2 | -43.3 | 176 | 174.4 | 0 | 0 | 0 | 0 | 111 | L6 C7 C8 C12 L13 L14 | L6-V10 WeakPolarHBondContact O-CG2 3.49Å; L6-V10 PolarHBondContact O-N 3.12Å; L6-V10 VanDerWaalsContact O-N 3.08Å; C7-V10 PolarHBondContact O-N 3.28Å; C8-V10 PolarHBondContact O-N 3.43Å; V10-C12 VanDerWaalsContact C-N 3.34Å; V10-C12 PolarHBondContact O-N 3.09Å; V10-L13 PolarHBondContact O-N 3.37Å; V10-L14 HydrophobicContact CG1-CD1 3.73Å; V10-L14 HydrophobicContact CG1-CG 4.28Å; V10-L14 WeakPolarHBondContact O-CB 3.29Å; V10-L14 VanDerWaalsContact O-CG 3.29Å; V10-L14 WeakPolarHBondContact O-CG 3.41Å; V10-L14 PolarHBondContact O-N 2.95Å |
| 11 | L | 76 | Confident | 71.5 | Confident | 121 Ų | 121 | 109.1 Ų | 109.1 | 63% | 0.634 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -60.8 | -41.6 | 176.4 | -124.9 | 92 | 0 | 0 | 0 | 112.1 | C7 C8 L14 G15 | C7-L11 WeakPolarHBondContact O-CB 3.48Å; C7-L11 PolarHBondContact O-N 3.43Å; C8-L11 PolarHBondContact O-N 3.02Å; L11-L14 PolarHBondContact O-N 3.42Å; L11-G15 PolarHBondContact O-N 3.32Å |
| 12 | C | 77.9 | Confident | 73.2 | Confident | 98 Ų | 98 | 99.4 Ų | 99.4 | 66% | 0.662 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.4 | -38.4 | 178.5 | -70.7 | 0 | 0 | 0 | 0 | 112.5 | C8 V9 V10 | C8-C12 PolarHBondContact O-N 2.98Å; C8-C12 PolarHBondContact O-SG 3.25Å; V9-C12 PolarHBondContact O-N 3.31Å; V10-C12 VanDerWaalsContact C-N 3.34Å; V10-C12 PolarHBondContact O-N 3.09Å |
| 13 | L | 72.8 | Confident | 74.6 | Confident | 127 Ų | 127 | 96.8 Ų | 96.8 | 67% | 0.665 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72.8 | -35.3 | 177.2 | -68.8 | 171.7 | 0 | 0 | 0 | 112.3 | V9 V10 G15 A16 | V9-L13 HydrophobicContact CG1-CD1 4.19Å; V9-L13 WeakPolarHBondContact O-CG 3.47Å; V9-L13 PolarHBondContact O-N 3.5Å; V9-L13 VanDerWaalsContact O-N 3.09Å; V10-L13 PolarHBondContact O-N 3.37Å; L13-G15 VanDerWaalsContact C-N 3.34Å; L13-A16 PolarHBondContact O-N 2.89Å |
| 14 | L | 71.8 | Confident | 75.9 | Confident | 132 Ų | 132 | 94.5 Ų | 94.5 | 69% | 0.691 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -73.1 | -25.4 | 176.3 | -68.9 | 172 | 0 | 0 | 0 | 113.1 | V10 L11 A16 | V10-L14 HydrophobicContact CG1-CD1 3.73Å; V10-L14 HydrophobicContact CG1-CG 4.28Å; V10-L14 WeakPolarHBondContact O-CB 3.29Å; V10-L14 VanDerWaalsContact O-CG 3.29Å; V10-L14 WeakPolarHBondContact O-CG 3.41Å; V10-L14 PolarHBondContact O-N 2.95Å; L11-L14 PolarHBondContact O-N 3.42Å; L14-A16 VanDerWaalsContact C-N 3.29Å |
| 15 | G | 67.6 | Low | 77 | Confident | 57 Ų | 57 | 90.4 Ų | 90.4 | 59% | 0.588 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -11.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L11 L13 N17 | L11-G15 PolarHBondContact O-N 3.32Å; L13-G15 VanDerWaalsContact C-N 3.34Å; G15-N17 PolarHBondContact O-N 3.4Å |
| 16 | A | 65.4 | Low | 77.9 | Confident | 74 Ų | 74 | 88.8 Ų | 88.8 | 61% | 0.612 | 55% | 0.546 | S | S | * | . | trans | -76.4 | 76.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | L13 L14 T18 | L13-A16 PolarHBondContact O-N 2.89Å; L14-A16 VanDerWaalsContact C-N 3.29Å; A16-T18 PolarHBondContact O-N 3.02Å | ||
| 17 | N | 62.2 | Low | 78.9 | Confident | 139 Ų | 139 | 85.8 Ų | 85.8 | 74% | 0.743 | 53% | 0.533 | S | S | * | . | trans | -57.5 | 129.3 | 166.3 | -68.4 | -31.5 | 0 | 0 | 0 | 108.1 | G15 V19 | G15-N17 PolarHBondContact O-N 3.4Å; N17-V19 PolarHBondContact O-N 3.31Å | ||
| 18 | T | 65 | Low | 79.5 | Confident | 137 Ų | 137 | 90.2 Ų | 90.2 | 84% | 0.84 | 54% | 0.544 | S | S | * | . | trans | -62.9 | 110.5 | 164.6 | 52.8 | 0 | 0 | 0 | 0 | 106.4 | A16 D20 | A16-T18 PolarHBondContact O-N 3.02Å; T18-D20 PolarHBondContact O-N 3.48Å | ||
| 19 | V | 60.3 | Low | 80.1 | Confident | 133 Ų | 133 | 94.2 Ų | 94.2 | 81% | 0.806 | 55% | 0.549 | S | S | * | . | trans | -61.4 | 111.8 | 170 | -179.4 | 0 | 0 | 0 | 0 | 105.8 | N17 G21 | N17-V19 PolarHBondContact O-N 3.31Å; V19-G21 VanDerWaalsContact C-N 3.31Å; V19-G21 PolarHBondContact O-N 3.3Å | ||
| 20 | D | 68.6 | Low | 80.6 | Confident | 109 Ų | 109 | 93 Ų | 93 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | trans | -64.5 | 100.2 | 166.9 | -178 | 13.3 | 0 | 0 | 0 | 106.2 | T18 G22 N45 | T18-D20 PolarHBondContact O-N 3.48Å; D20-G22 PolarHBondContact O-N 3.46Å; D20-G22 PolarHBondContact OD1-N 3.17Å; D20-N45 PolarHBondContact OD2-ND2 2.97Å | ||
| 21 | G | 80.2 | Confident | 81.1 | Confident | 51 Ų | 51 | 98 Ų | 98 | 53% | 0.526 | 56% | 0.555 | S | S | . | * | trans | -67.9 | 2.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V19 I23 | V19-G21 VanDerWaalsContact C-N 3.31Å; V19-G21 PolarHBondContact O-N 3.3Å; G21-I23 PolarHBondContact O-N 3.42Å | ||
| 22 | G | 93.7 | Very high | 81.5 | Confident | 2 Ų | 2 | 100 Ų | 100 | 2% | 0.021 | 55% | 0.554 | C | S | . | * | S | Bend | trans | 65 | 5.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D20 Q44 N45 | D20-G22 PolarHBondContact O-N 3.46Å; D20-G22 PolarHBondContact OD1-N 3.17Å; G22-Q44 CarbonylContact O-C 3.53Å; G22-Q44 WeakPolarHBondContact O-CA 3.42Å; G22-Q44 WeakPolarHBondContact O-CB 3.43Å; G22-N45 WeakPolarHBondContact CA-OD1 3.49Å; G22-N45 PolarHBondContact O-N 3.05Å; G22-N45 PolarHBondContact O-OD1 3.37Å |
| 23 | I | 96 | Very high | 81.8 | Confident | 48 Ų | 48 | 103.3 Ų | 103.3 | 25% | 0.246 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.1 | 174.1 | -58.4 | -179 | 0 | 0 | 0 | 108 | G21 E43 Q44 L46 C110 S112 | G21-I23 PolarHBondContact O-N 3.42Å; I23-E43 CarbonylContact C-O 3.57Å; I23-E43 WeakPolarHBondContact CA-O 3.38Å; I23-Q44 HydrophobicContact CG1-CB 4.22Å; I23-L46 HydrophobicContact CG1-CD1 4.24Å; I23-C110 HydrophobicContact CG2-CB 4.31Å; I23-S112 WeakPolarHBondContact CD1-OG 3.15Å |
| 24 | T | 96.6 | Very high | 82.2 | Confident | 87 Ų | 87 | 106.2 Ų | 106.2 | 53% | 0.534 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.6 | 176.8 | -63.1 | 0 | 0 | 0 | 0 | 109.9 | C42 E43 | T24-C42 WeakPolarHBondContact O-CA 3.46Å; T24-E43 PolarHBondContact N-O 3.38Å; T24-E43 PolarHBondContact O-N 3.15Å |
| 25 | Q | 97.3 | Very high | 82.8 | Confident | 65 Ų | 65 | 102.4 Ų | 102.4 | 30% | 0.304 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114 | 136.6 | 174.7 | -71.7 | -177.5 | -115.6 | 0 | 0 | 111.2 | S41 C42 W53 Y108 C110 | Q25-S41 WeakPolarHBondContact CA-O 3.28Å; Q25-C42 HydrophobicContact CG-CB 4.41Å; Q25-W53 HydrophobicContact CG-CH2 4.33Å; Q25-W53 VanDerWaalsContact NE2-CZ3 3.29Å; Q25-Y108 PolarHBondContact NE2-O 2.79Å; Q25-C110 HydrophobicContact CG-CB 3.74Å |
| 26 | S | 96.6 | Very high | 83.8 | Confident | 63 Ų | 63 | 104.6 Ų | 104.6 | 44% | 0.441 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -143.9 | 141.1 | 175.1 | 178.2 | 0 | 0 | 0 | 0 | 112.3 | S41 | S26-S41 WeakPolarHBondContact CA-OG 3.34Å; S26-S41 VanDerWaalsContact CB-OG 3.28Å; S26-S41 WeakPolarHBondContact CB-OG 3.46Å; S26-S41 PolarHBondContact N-O 3.2Å; S26-S41 VanDerWaalsContact N-O 3.15Å; S26-S41 PolarHBondContact N-OG 2.69Å; S26-S41 PolarHBondContact O-N 3.01Å; S26-S41 PolarHBondContact O-OG 2.93Å |
| 27 | P | 95.6 | Very high | 85.1 | Confident | 51 Ų | 51 | 105.9 Ų | 105.9 | 33% | 0.331 | 55% | 0.552 | S | S | . | * | cis | -77.3 | 152.8 | -5.4 | 30.8 | -32.4 | 0 | 0 | 0 | 112.2 | Y29 L30 | P27-Y29 VanDerWaalsContact C-N 3.35Å; P27-L30 HydrophobicContact CG-CB 4.14Å; P27-L30 HydrophobicContact CG-CD1 3.88Å; P27-L30 HydrophobicContact CG-CG 4.46Å | ||
| 28 | K | 92.4 | Very high | 86.5 | Confident | 169 Ų | 169 | 100.3 Ų | 100.3 | 74% | 0.735 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -66.6 | -36 | 177.6 | -174.2 | 176.7 | -179.7 | 178.4 | 0 | 112.9 | ||
| 29 | Y | 91.1 | Very high | 88 | Confident | 163 Ų | 163 | 97.7 Ų | 97.7 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -133.6 | 140.1 | 176.3 | -57 | -76.2 | 0 | 0 | 0 | 108.8 | P27 | P27-Y29 VanDerWaalsContact C-N 3.35Š|
| 30 | L | 89.6 | Confident | 89.8 | Confident | 54 Ų | 54 | 92.1 Ų | 92.1 | 28% | 0.283 | 47% | 0.472 | S | S | . | . | trans | -140.9 | 127 | -177.6 | -174.6 | 72 | 0 | 0 | 0 | 111.1 | P27 R32 V38 L40 | P27-L30 HydrophobicContact CG-CB 4.14Å; P27-L30 HydrophobicContact CG-CD1 3.88Å; P27-L30 HydrophobicContact CG-CG 4.46Å; L30-R32 HydrophobicContact CD1-CG 3.81Å; L30-R32 VanDerWaalsContact CD1-NH1 3.27Å; L30-R32 HydrophobicContact CD2-CG 4.04Å; L30-R32 HydrophobicContact CG-CG 3.83Å; L30-V38 HydrophobicContact CD2-CB 3.93Å; L30-V38 HydrophobicContact CD2-CG1 3.02Å; L30-V38 HydrophobicContact CD2-CG2 3.63Å; L30-V38 HydrophobicContact CG-CG1 4.5Å; L30-L40 HydrophobicContact CD2-CD2 4.34Å | ||
| 31 | F | 87.2 | Confident | 91.2 | Very high | 178 Ų | 178 | 88.9 Ų | 88.9 | 78% | 0.781 | 46% | 0.458 | S | S | * | . | trans | -121.6 | 123.1 | 169.9 | -55.6 | -86.2 | 0 | 0 | 0 | 107.6 | ||||
| 32 | R | 84.1 | Confident | 92 | Very high | 163 Ų | 163 | 86.5 Ų | 86.5 | 62% | 0.615 | 43% | 0.433 | S | S | * | . | trans | -138.7 | 158 | -179.1 | -70.4 | -66.6 | -177.4 | -89.7 | 1.1 | 110.1 | L30 V38 | L30-R32 HydrophobicContact CD1-CG 3.81Å; L30-R32 VanDerWaalsContact CD1-NH1 3.27Å; L30-R32 HydrophobicContact CD2-CG 4.04Å; L30-R32 HydrophobicContact CG-CG 3.83Å; R32-V38 HydrophobicContact CB-CG2 4.19Å; R32-V38 HydrophobicContact CG-CG2 3.81Å | ||
| 33 | K | 83.4 | Confident | 92.2 | Very high | 168 Ų | 168 | 90.2 Ų | 90.2 | 73% | 0.73 | 45% | 0.45 | S | S | * | . | trans | -69.4 | 145.8 | 173.6 | -67.2 | -174.8 | 178.5 | -177.8 | 0 | 109 | Q36 | K33-Q36 HydrophobicContact CB-CG 4.5Å; K33-Q36 PolarHBondContact O-N 2.94Å | ||
| 34 | E | 81.4 | Confident | 92.3 | Very high | 188 Ų | 188 | 88.4 Ų | 88.4 | 88% | 0.879 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 147 | 169.7 | -169.5 | 174.5 | -174 | 0 | 0 | 110.4 | Q36 | E34-Q36 VanDerWaalsContact C-N 3.34Å; E34-Q36 PolarHBondContact O-N 2.83Å |
| 35 | G | 84.5 | Confident | 92.2 | Very high | 51 Ų | 51 | 89.4 Ų | 89.4 | 53% | 0.526 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 0.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S99 | G35-S99 WeakPolarHBondContact O-CB 3.42Š|
| 36 | Q | 88.5 | Confident | 92.2 | Very high | 104 Ų | 104 | 89.7 Ų | 89.7 | 49% | 0.486 | 45% | 0.446 | S | S | . | . | trans | -101.5 | 135 | 176.5 | -64.2 | -173.5 | -25.4 | 0 | 0 | 112 | K33 E34 | K33-Q36 HydrophobicContact CB-CG 4.5Å; K33-Q36 PolarHBondContact O-N 2.94Å; E34-Q36 VanDerWaalsContact C-N 3.34Å; E34-Q36 PolarHBondContact O-N 2.83Å | ||
| 37 | N | 92.4 | Very high | 92.1 | Very high | 101 Ų | 101 | 92.1 Ų | 92.1 | 54% | 0.54 | 45% | 0.454 | S | S | . | . | trans | -69.2 | 145 | 168.9 | -68.5 | -3.4 | 0 | 0 | 0 | 110.2 | T96 V97 T98 S99 | N37-T96 HydrophobicContact CB-CG2 4.37Å; N37-V97 WeakPolarHBondContact CA-O 3.04Å; N37-T98 WeakPolarHBondContact OD1-CA 3.46Å; N37-S99 WeakPolarHBondContact OD1-CB 3.48Å; N37-S99 PolarHBondContact OD1-N 2.97Å; N37-S99 PolarHBondContact OD1-OG 3.23Å | ||
| 38 | V | 92.7 | Very high | 92.2 | Very high | 21 Ų | 21 | 91.4 Ų | 91.4 | 13% | 0.127 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 132.4 | -179 | 161.9 | 0 | 0 | 0 | 0 | 109 | L30 R32 L40 T96 V97 | L30-V38 HydrophobicContact CD2-CB 3.93Å; L30-V38 HydrophobicContact CD2-CG1 3.02Å; L30-V38 HydrophobicContact CD2-CG2 3.63Å; L30-V38 HydrophobicContact CG-CG1 4.5Å; R32-V38 HydrophobicContact CB-CG2 4.19Å; R32-V38 HydrophobicContact CG-CG2 3.81Å; V38-L40 HydrophobicContact CG1-CD2 3.93Å; V38-L40 HydrophobicContact CG1-CG 4.33Å; V38-T96 CarbonylContact O-C 3.54Å; V38-T96 WeakPolarHBondContact O-CA 3.26Å; V38-V97 HydrophobicContact CB-CB 4.42Å; V38-V97 PolarHBondContact N-O 2.62Å; V38-V97 PolarHBondContact O-N 3.46Å |
| 39 | T | 95.9 | Very high | 92.5 | Very high | 82 Ų | 82 | 86.6 Ų | 86.6 | 50% | 0.503 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 126.5 | 169.8 | -53.6 | 0 | 0 | 0 | 0 | 110.3 | P94 L95 T96 | T39-P94 HydrophobicContact CG2-CB 4.01Å; T39-L95 CarbonylContact C-O 3.39Å; T39-L95 WeakPolarHBondContact CA-O 3.28Å; T39-T96 PolarHBondContact OG1-OG1 3.44Å |
| 40 | L | 97.2 | Very high | 92.8 | Very high | 16 Ų | 16 | 79.1 Ų | 79.1 | 8% | 0.084 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 127.3 | 169.9 | -53.9 | 179.3 | 0 | 0 | 0 | 107.8 | L30 V38 W53 P94 L95 Y108 | L30-L40 HydrophobicContact CD2-CD2 4.34Å; V38-L40 HydrophobicContact CG1-CD2 3.93Å; V38-L40 HydrophobicContact CG1-CG 4.33Å; L40-W53 HydrophobicContact CB-CH2 3.73Å; L40-W53 HydrophobicContact CB-CZ2 4.15Å; L40-W53 HydrophobicContact CB-CZ3 4.43Å; L40-W53 HydrophobicContact CD1-CH2 4.37Å; L40-W53 HydrophobicContact CD1-CZ3 4.27Å; L40-P94 CarbonylContact O-C 3.4Å; L40-P94 VanDerWaalsContact O-CA 3.3Å; L40-P94 WeakPolarHBondContact O-CA 3.37Å; L40-L95 HydrophobicContact CD1-CD2 4.4Å; L40-L95 PolarHBondContact N-O 3.44Å; L40-L95 PolarHBondContact O-N 3.49Å; L40-Y108 HydrophobicContact CD1-CD1 4.17Å; L40-Y108 HydrophobicContact CD1-CD2 3.8Å; L40-Y108 HydrophobicContact CD1-CE2 4.49Å; L40-Y108 HydrophobicContact CD1-CG 3.58Å |
| 41 | S | 98.1 | Very high | 93.2 | Very high | 42 Ų | 42 | 76.5 Ų | 76.5 | 29% | 0.294 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 143.2 | 172.5 | 59.9 | 0 | 0 | 0 | 0 | 110.3 | Q25 S26 | Q25-S41 WeakPolarHBondContact CA-O 3.28Å; S26-S41 WeakPolarHBondContact CA-OG 3.34Å; S26-S41 VanDerWaalsContact CB-OG 3.28Å; S26-S41 WeakPolarHBondContact CB-OG 3.46Å; S26-S41 PolarHBondContact N-O 3.2Å; S26-S41 VanDerWaalsContact N-O 3.15Å; S26-S41 PolarHBondContact N-OG 2.69Å; S26-S41 PolarHBondContact O-N 3.01Å; S26-S41 PolarHBondContact O-OG 2.93Å |
| 42 | C | 98.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 123.6 | 164.7 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | T24 Q25 M51 W53 S92 F93 C110 | T24-C42 WeakPolarHBondContact O-CA 3.46Å; Q25-C42 HydrophobicContact CG-CB 4.41Å; C42-M51 HydrophobicContact CB-CE 4.4Å; C42-M51 WeakPolarHBondContact SG-CE 3Å; C42-W53 HydrophobicContact CB-CH2 4.05Å; C42-W53 HydrophobicContact CB-CZ2 3.39Å; C42-S92 WeakPolarHBondContact O-CA 3.32Å; C42-F93 PolarHBondContact O-N 3.34Å; C42-C110 HydrophobicContact CB-CB 3.54Å; C42-C110 WeakPolarHBondContact CB-SG 3.04Å; C42-C110 WeakPolarHBondContact SG-CB 3.33Å; C42-C110 CovalentContact SG-SG 2Å; C42-C110 PolarHBondContact SG-SG 3.27Å |
| 43 | E | 98 | Very high | 94.5 | Very high | 81 Ų | 81 | 62.6 Ų | 62.6 | 38% | 0.379 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 144.4 | 178.1 | -63.6 | -66.9 | 158.3 | 0 | 0 | 109.3 | I23 T24 E91 S92 | I23-E43 CarbonylContact C-O 3.57Å; I23-E43 WeakPolarHBondContact CA-O 3.38Å; T24-E43 PolarHBondContact N-O 3.38Å; T24-E43 PolarHBondContact O-N 3.15Å; E43-E91 CarbonylContact C-O 3.47Å; E43-E91 WeakPolarHBondContact CA-O 3.39Å; E43-S92 WeakPolarHBondContact OE1-CB 3.37Å; E43-S92 PolarHBondContact OE1-OG 2.77Å; E43-S92 WeakPolarHBondContact OE2-CA 3.43Å; E43-S92 VanDerWaalsContact OE2-CB 3.31Å; E43-S92 WeakPolarHBondContact OE2-CB 3.34Å |
| 44 | Q | 96.8 | Very high | 95.2 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 147.3 | 174.2 | 65.8 | 78.1 | 26.6 | 0 | 0 | 112.8 | G22 I23 H48 M51 K90 E91 | G22-Q44 CarbonylContact O-C 3.53Å; G22-Q44 WeakPolarHBondContact O-CA 3.42Å; G22-Q44 WeakPolarHBondContact O-CB 3.43Å; I23-Q44 HydrophobicContact CG1-CB 4.22Å; Q44-H48 PolarHBondContact NE2-O 3.25Å; Q44-M51 HydrophobicContact CB-CE 4.13Å; Q44-M51 HydrophobicContact CG-CE 3.73Å; Q44-M51 HydrophobicContact CG-CG 4.33Å; Q44-M51 HydrophobicContact CG-SD 3.69Å; Q44-K90 PolarHBondContact NE2-O 3.31Å; Q44-E91 PolarHBondContact N-O 2.81Å; Q44-E91 WeakPolarHBondContact O-CB 3.31Å |
| 45 | N | 96 | Very high | 95.9 | Very high | 108 Ų | 108 | 49 Ų | 49 | 58% | 0.578 | 27% | 0.266 | S | S | * | . | trans | -117.8 | 19.1 | 177.2 | 70 | 4.7 | 0 | 0 | 0 | 113.2 | D20 G22 | D20-N45 PolarHBondContact OD2-ND2 2.97Å; G22-N45 WeakPolarHBondContact CA-OD1 3.49Å; G22-N45 PolarHBondContact O-N 3.05Å; G22-N45 PolarHBondContact O-OD1 3.37Å | ||
| 46 | L | 95.8 | Very high | 96.4 | Very high | 71 Ų | 71 | 50 Ų | 50 | 37% | 0.372 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -93.2 | -4 | -175.3 | -61 | 171.1 | 0 | 0 | 0 | 113.3 | I23 H48 | I23-L46 HydrophobicContact CG1-CD1 4.24Å; L46-H48 HydrophobicContact CB-CB 4.45Å; L46-H48 PolarHBondContact O-CD2 2.8Å; L46-H48 PolarHBondContact O-N 3.28Å |
| 47 | N | 95.7 | Very high | 96.7 | Very high | 115 Ų | 115 | 45.8 Ų | 45.8 | 62% | 0.615 | 24% | 0.237 | S | C | * | . | trans | 56.4 | 29.5 | -173.5 | -171.3 | 38.1 | 0 | 0 | 0 | 113.1 | K90 | N47-K90 VanDerWaalsContact C-CE 3.46Å; N47-K90 WeakPolarHBondContact O-CE 3.47Å; N47-K90 PolarHBondContact O-NZ 3.42Å; N47-K90 VanDerWaalsContact OD1-CE 3.25Å; N47-K90 WeakPolarHBondContact OD1-CE 3.18Å; N47-K90 PolarHBondContact OD1-NZ 3.02Å | ||
| 48 | H | 97.7 | Very high | 96.6 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 17% | 0.167 | 24% | 0.243 | C | C | . | . | trans | -73.9 | 137.5 | 175.2 | -76.8 | 178.5 | 0 | 0 | 0 | 111.4 | Q44 L46 K90 S112 S113 | Q44-H48 PolarHBondContact NE2-O 3.25Å; L46-H48 HydrophobicContact CB-CB 4.45Å; L46-H48 PolarHBondContact O-CD2 2.8Å; L46-H48 PolarHBondContact O-N 3.28Å; H48-K90 VanDerWaalsContact C-CE 3.45Å; H48-K90 WeakPolarHBondContact O-CE 3.48Å; H48-S112 PolarHBondContact ND1-O 3.04Å; H48-S112 PolarHBondContact ND1-OG 3.32Å; H48-S113 VanDerWaalsContact CB-O 3.26Å; H48-S113 WeakPolarHBondContact CB-O 3.19Å; H48-S113 VanDerWaalsContact CG-C 3.45Å; H48-S113 PolarHBondContact ND1-N 2.75Å | ||
| 49 | D | 97.2 | Very high | 96.6 | Very high | 68 Ų | 68 | 49.2 Ų | 49.2 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -78 | -43.1 | 178.4 | -71.1 | -44.3 | 0 | 0 | 0 | 110.7 | Q69 R87 K90 S113 | D49-Q69 CarbonylContact C-O 3.49Å; D49-Q69 VanDerWaalsContact C-O 3.29Å; D49-Q69 WeakPolarHBondContact CB-O 2.98Å; D49-Q69 CarbonylContact O-C 3.55Å; D49-Q69 VanDerWaalsContact O-O 3.14Å; D49-R87 VanDerWaalsContact O-CZ 3.3Å; D49-R87 PolarHBondContact O-NH1 3.01Å; D49-R87 PolarHBondContact O-NH2 3.08Å; D49-K90 WeakPolarHBondContact OD1-CE 3.37Å; D49-K90 IonicContact OD1-NZ 3.68Å; D49-K90 PolarHBondContact OD1-NZ 3.49Å; D49-K90 IonicContact OD2-NZ 2.62Å; D49-S113 PolarHBondContact N-O 2.9Å |
| 50 | A | 98.4 | Very high | 96.4 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 140.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y52 S68 S112 S113 | A50-Y52 HydrophobicContact CB-CE2 3.68Å; A50-Y52 WeakPolarHBondContact CB-OH 3.3Å; A50-S68 CarbonylContact C-O 3.52Å; A50-S68 WeakPolarHBondContact CA-O 3.39Å; A50-S112 CarbonylContact O-C 3.53Å; A50-S112 WeakPolarHBondContact O-CA 3.42Å; A50-S112 WeakPolarHBondContact O-CB 3.33Å; A50-S113 PolarHBondContact N-O 2.77Å; A50-S113 PolarHBondContact O-N 2.66Å |
| 51 | M | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 149.8 | 172.1 | -67.8 | -175.2 | 80.4 | 0 | 0 | 111 | C42 Q44 Y67 S68 F93 A111 | C42-M51 HydrophobicContact CB-CE 4.4Å; C42-M51 WeakPolarHBondContact SG-CE 3Å; Q44-M51 HydrophobicContact CB-CE 4.13Å; Q44-M51 HydrophobicContact CG-CE 3.73Å; Q44-M51 HydrophobicContact CG-CG 4.33Å; Q44-M51 HydrophobicContact CG-SD 3.69Å; M51-Y67 CarbonylContact O-C 3.57Å; M51-Y67 VanDerWaalsContact O-CA 3.28Å; M51-Y67 WeakPolarHBondContact O-CA 3.47Å; M51-S68 PolarHBondContact N-O 3.09Å; M51-S68 PolarHBondContact O-N 2.9Å; M51-F93 HydrophobicContact CB-CB 3.83Å; M51-F93 HydrophobicContact CB-CD1 3.6Å; M51-F93 HydrophobicContact CB-CE1 4.37Å; M51-F93 HydrophobicContact CB-CG 3.92Å; M51-F93 HydrophobicContact CE-CB 3.78Å; M51-F93 HydrophobicContact CG-CB 4.38Å; M51-F93 WeakPolarHBondContact O-CE1 3.27Å; M51-F93 HydrophobicContact SD-CB 3.66Å; M51-A111 CarbonylContact C-O 3.56Å; M51-A111 VanDerWaalsContact CA-O 3.32Å; M51-A111 WeakPolarHBondContact CA-O 3.12Å |
| 52 | Y | 98.7 | Very high | 96.2 | Very high | 49 Ų | 49 | 54 Ų | 54 | 19% | 0.192 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 145 | -168.5 | -53.2 | -96.7 | 0 | 0 | 0 | 110.8 | A50 Y54 L64 Y67 C110 A111 S113 | A50-Y52 HydrophobicContact CB-CE2 3.68Å; A50-Y52 WeakPolarHBondContact CB-OH 3.3Å; Y52-Y54 VanDerWaalsContact CB-CE2 3.45Å; Y52-Y54 HydrophobicContact CG-CE2 4.24Å; Y52-L64 HydrophobicContact CD1-CD1 4.11Å; Y52-Y67 HydrophobicContact CD1-CG 4.34Å; Y52-Y67 HydrophobicContact CE1-CD2 4.37Å; Y52-Y67 HydrophobicContact CE1-CG 4.27Å; Y52-C110 VanDerWaalsContact O-CA 3.31Å; Y52-C110 WeakPolarHBondContact O-CA 3.31Å; Y52-A111 HydrophobicContact CD2-CB 4.43Å; Y52-A111 PolarHBondContact N-O 2.94Å; Y52-A111 PolarHBondContact O-N 2.62Å; Y52-S113 PolarHBondContact OH-OG 3.32Å |
| 53 | W | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.4 | 166.1 | -84.7 | 104 | 0 | 0 | 0 | 111 | Q25 L40 C42 I65 Y66 F93 L95 C110 | Q25-W53 HydrophobicContact CG-CH2 4.33Å; Q25-W53 VanDerWaalsContact NE2-CZ3 3.29Å; L40-W53 HydrophobicContact CB-CH2 3.73Å; L40-W53 HydrophobicContact CB-CZ2 4.15Å; L40-W53 HydrophobicContact CB-CZ3 4.43Å; L40-W53 HydrophobicContact CD1-CH2 4.37Å; L40-W53 HydrophobicContact CD1-CZ3 4.27Å; C42-W53 HydrophobicContact CB-CH2 4.05Å; C42-W53 HydrophobicContact CB-CZ2 3.39Å; W53-I65 HydrophobicContact CB-CB 4.29Å; W53-I65 HydrophobicContact CB-CD1 4.45Å; W53-I65 WeakPolarHBondContact O-CB 3.2Å; W53-I65 PolarHBondContact O-N 2.59Å; W53-Y66 PolarHBondContact N-O 2.92Å; W53-F93 AromaticContact CD1-CD1 3.45Å; W53-F93 VanDerWaalsContact CD1-CD1 3.45Å; W53-F93 AromaticContact CD1-CE1 3.61Å; W53-F93 AromaticContact NE1-CD1 3.81Å; W53-F93 PolarHBondContact NE1-O 2.95Å; W53-L95 HydrophobicContact CB-CD1 4.49Å; W53-L95 HydrophobicContact CB-CD2 4.21Å; W53-L95 HydrophobicContact CD2-CB 3.65Å; W53-L95 HydrophobicContact CD2-CD2 3.77Å; W53-L95 HydrophobicContact CD2-CG 4.27Å; W53-L95 VanDerWaalsContact CE2-CB 3.41Å; W53-L95 HydrophobicContact CE3-CB 4.31Å; W53-L95 HydrophobicContact CE3-CD2 3.8Å; W53-L95 HydrophobicContact CG-CB 3.82Å; W53-L95 HydrophobicContact CG-CD1 4.37Å; W53-L95 HydrophobicContact CG-CD2 3.97Å; W53-L95 HydrophobicContact CG-CG 4.28Å; W53-L95 HydrophobicContact CH2-CB 4.5Å; W53-L95 HydrophobicContact CZ2-CB 3.86Å; W53-L95 HydrophobicContact CZ3-CD2 4.41Å; W53-C110 HydrophobicContact CD2-CB 4.28Å; W53-C110 HydrophobicContact CE3-CB 4.16Å; W53-C110 HydrophobicContact CH2-CB 4.03Å; W53-C110 HydrophobicContact CZ2-CB 4.14Å; W53-C110 HydrophobicContact CZ3-CB 4.02Å |
| 54 | Y | 98 | Very high | 96.2 | Very high | 60 Ų | 60 | 55 Ų | 55 | 24% | 0.235 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 148.3 | 174.2 | -59.3 | -87.6 | 0 | 0 | 0 | 110.4 | Y52 L62 R63 L64 Y108 L109 A111 | Y52-Y54 VanDerWaalsContact CB-CE2 3.45Å; Y52-Y54 HydrophobicContact CG-CE2 4.24Å; Y54-L62 HydrophobicContact CD1-CB 4.17Å; Y54-R63 VanDerWaalsContact CA-O 3.31Å; Y54-R63 WeakPolarHBondContact CA-O 3.39Å; Y54-L64 HydrophobicContact CD1-CB 4.23Å; Y54-L64 HydrophobicContact CD1-CD1 3.99Å; Y54-L64 HydrophobicContact CE1-CB 4.05Å; Y54-L64 HydrophobicContact CE1-CD1 3.53Å; Y54-L64 HydrophobicContact CE1-CG 4.37Å; Y54-L64 HydrophobicContact CE2-CD1 4.41Å; Y54-Y108 WeakPolarHBondContact O-CA 3.18Å; Y54-L109 PolarHBondContact N-O 2.88Å; Y54-L109 PolarHBondContact O-N 3.12Å; Y54-A111 HydrophobicContact CE2-CB 4.11Å |
| 55 | R | 96.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 4% | 0.038 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 141.1 | 161.8 | 146.3 | 178.6 | -77.6 | -160.5 | -0.6 | 109.1 | D57 R63 I65 I79 Y83 N103 A106 F107 Y108 | R55-D57 VanDerWaalsContact CD-OD1 3.28Å; R55-D57 WeakPolarHBondContact CD-OD1 3.4Å; R55-D57 WeakPolarHBondContact CG-OD1 3.27Å; R55-D57 IonicContact NE-OD1 3.54Å; R55-D57 IonicContact NH1-OD1 3.78Å; R55-R63 PolarHBondContact N-O 3.31Å; R55-R63 PolarHBondContact O-N 3.01Å; R55-I65 HydrophobicContact CB-CD1 3.77Å; R55-I65 HydrophobicContact CB-CG1 4.06Å; R55-I79 HydrophobicContact CB-CD1 3.84Å; R55-I79 HydrophobicContact CG-CD1 4.04Å; R55-Y83 PolarHBondContact NE-OH 2.68Å; R55-Y83 PolarHBondContact NH1-OH 3.2Å; R55-Y83 PolarHBondContact NH2-OH 3.46Å; R55-Y83 VanDerWaalsContact NH2-OH 3.09Å; R55-N103 PolarHBondContact NH1-O 3Å; R55-N103 PolarHBondContact NH2-O 2.86Å; R55-A106 HydrophobicContact CG-CB 4.04Å; R55-A106 VanDerWaalsContact NE-CB 3.32Å; R55-F107 CarbonylContact C-O 3.58Å; R55-F107 WeakPolarHBondContact CA-O 3.17Å; R55-Y108 HydrophobicContact CB-CD1 4.36Å; R55-Y108 HydrophobicContact CB-CE1 4.28Å; R55-Y108 PolarHBondContact NH2-OH 2.9Å |
| 56 | Q | 95.6 | Very high | 96.4 | Very high | 72 Ų | 72 | 50.4 Ų | 50.4 | 34% | 0.336 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 117.4 | 168 | -166.6 | 175.3 | 25 | 0 | 0 | 109.6 | Q60 L62 F107 | Q56-Q60 PolarHBondContact NE2-O 2.82Å; Q56-L62 HydrophobicContact CB-CD2 3.9Å; Q56-L62 HydrophobicContact CG-CD2 4.33Å; Q56-F107 HydrophobicContact CB-CB 4.2Å; Q56-F107 PolarHBondContact N-O 2.89Å; Q56-F107 PolarHBondContact O-N 2.78Å |
| 57 | D | 93.4 | Very high | 96.5 | Very high | 15 Ų | 15 | 50 Ų | 50 | 8% | 0.08 | 28% | 0.282 | C | S | . | . | trans | -87.4 | 151.9 | 170.8 | -70.3 | -3.2 | 0 | 0 | 0 | 109.3 | R55 G59 Q60 R63 | R55-D57 VanDerWaalsContact CD-OD1 3.28Å; R55-D57 WeakPolarHBondContact CD-OD1 3.4Å; R55-D57 WeakPolarHBondContact CG-OD1 3.27Å; R55-D57 IonicContact NE-OD1 3.54Å; R55-D57 IonicContact NH1-OD1 3.78Å; D57-G59 PolarHBondContact O-N 2.94Å; D57-Q60 HydrophobicContact CB-CB 4.14Å; D57-Q60 HydrophobicContact CB-CG 4.19Å; D57-Q60 PolarHBondContact O-N 2.96Å; D57-Q60 PolarHBondContact OD2-NE2 2.97Å; D57-R63 IonicContact OD1-NH2 4Å; D57-R63 IonicContact OD2-CZ 3.98Å; D57-R63 IonicContact OD2-NH2 2.66Å; D57-R63 PolarHBondContact OD2-NH2 2.95Å | ||
| 58 | P | 91.1 | Very high | 96.6 | Very high | 101 Ų | 101 | 44.5 Ų | 44.5 | 66% | 0.656 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 126.8 | 177.1 | -27.1 | 35.2 | 0 | 0 | 0 | 112.3 | Q60 | P58-Q60 PolarHBondContact O-N 3.34Š|
| 59 | G | 92.2 | Very high | 96.7 | Very high | 94 Ų | 94 | 48 Ų | 48 | 97% | 0.969 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 3.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D57 | D57-G59 PolarHBondContact O-N 2.94Š|
| 60 | Q | 91.9 | Very high | 96.7 | Very high | 92 Ų | 92 | 49.6 Ų | 49.6 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -110.4 | 161.6 | 178 | -63 | -178.6 | 50.5 | 0 | 0 | 111.9 | Q56 D57 P58 | Q56-Q60 PolarHBondContact NE2-O 2.82Å; D57-Q60 HydrophobicContact CB-CB 4.14Å; D57-Q60 HydrophobicContact CB-CG 4.19Å; D57-Q60 PolarHBondContact O-N 2.96Å; D57-Q60 PolarHBondContact OD2-NE2 2.97Å; P58-Q60 PolarHBondContact O-N 3.34Å |
| 61 | G | 94.5 | Very high | 96.6 | Very high | 52 Ų | 52 | 52 Ų | 52 | 54% | 0.536 | 29% | 0.29 | S | S | . | . | trans | -71.6 | 173 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 62 | L | 96.6 | Very high | 96.6 | Very high | 95 Ų | 95 | 58.3 Ų | 58.3 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 137.2 | 171.1 | -65.6 | 170.7 | 0 | 0 | 0 | 110.2 | Y54 Q56 L109 | Y54-L62 HydrophobicContact CD1-CB 4.17Å; Q56-L62 HydrophobicContact CB-CD2 3.9Å; Q56-L62 HydrophobicContact CG-CD2 4.33Å; L62-L109 HydrophobicContact CD2-CD1 3.47Å; L62-L109 VanDerWaalsContact CD2-CD1 3.47Å |
| 63 | R | 97.4 | Very high | 96.6 | Very high | 73 Ų | 73 | 58.9 Ų | 58.9 | 28% | 0.275 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.4 | 170.9 | -69.6 | 178.3 | -66.2 | -179.6 | -0 | 109.7 | Y54 R55 D57 I79 | Y54-R63 VanDerWaalsContact CA-O 3.31Å; Y54-R63 WeakPolarHBondContact CA-O 3.39Å; R55-R63 PolarHBondContact N-O 3.31Å; R55-R63 PolarHBondContact O-N 3.01Å; D57-R63 IonicContact OD1-NH2 4Å; D57-R63 IonicContact OD2-CZ 3.98Å; D57-R63 IonicContact OD2-NH2 2.66Å; D57-R63 PolarHBondContact OD2-NH2 2.95Å; R63-I79 HydrophobicContact CB-CD1 3.58Å; R63-I79 HydrophobicContact CB-CG1 3.92Å |
| 64 | L | 98.4 | Very high | 96.6 | Very high | 30 Ų | 30 | 62.8 Ų | 62.8 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 129 | -176.8 | -175 | 66.1 | 0 | 0 | 0 | 109.9 | Y52 Y54 Y67 G77 D78 I79 | Y52-L64 HydrophobicContact CD1-CD1 4.11Å; Y54-L64 HydrophobicContact CD1-CB 4.23Å; Y54-L64 HydrophobicContact CD1-CD1 3.99Å; Y54-L64 HydrophobicContact CE1-CB 4.05Å; Y54-L64 HydrophobicContact CE1-CD1 3.53Å; Y54-L64 HydrophobicContact CE1-CG 4.37Å; Y54-L64 HydrophobicContact CE2-CD1 4.41Å; L64-Y67 HydrophobicContact CD2-CD1 3.78Å; L64-Y67 HydrophobicContact CD2-CE1 4.44Å; L64-Y67 HydrophobicContact CD2-CG 4.48Å; L64-G77 CarbonylContact O-C 3.43Å; L64-G77 WeakPolarHBondContact O-CA 3.09Å; L64-D78 PolarHBondContact N-OD2 2.95Å; L64-D78 PolarHBondContact O-N 2.8Å; L64-I79 VanDerWaalsContact O-CG1 3.28Å; L64-I79 WeakPolarHBondContact O-CG1 3.13Å; L64-I79 PolarHBondContact O-N 3.08Å; L64-I79 VanDerWaalsContact O-N 3.08Å |
| 65 | I | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -58.4 | 176.7 | -49.4 | 178.4 | 0 | 0 | 0 | 109.5 | W53 R55 G77 I79 Y83 L95 Y108 | W53-I65 HydrophobicContact CB-CB 4.29Å; W53-I65 HydrophobicContact CB-CD1 4.45Å; W53-I65 WeakPolarHBondContact O-CB 3.2Å; W53-I65 PolarHBondContact O-N 2.59Å; R55-I65 HydrophobicContact CB-CD1 3.77Å; R55-I65 HydrophobicContact CB-CG1 4.06Å; I65-G77 WeakPolarHBondContact O-CA 3.18Å; I65-G77 PolarHBondContact O-N 2.88Å; I65-I79 HydrophobicContact CG1-CD1 4.06Å; I65-I79 HydrophobicContact CG1-CG1 4.14Å; I65-Y83 HydrophobicContact CD1-CD1 4.33Å; I65-Y83 HydrophobicContact CD1-CE1 4.09Å; I65-Y83 HydrophobicContact CG2-CD1 3.98Å; I65-Y83 HydrophobicContact CG2-CD2 3.35Å; I65-Y83 HydrophobicContact CG2-CE1 4.49Å; I65-Y83 HydrophobicContact CG2-CE2 3.92Å; I65-Y83 HydrophobicContact CG2-CG 3.35Å; I65-L95 HydrophobicContact CD1-CD2 3.75Å; I65-L95 HydrophobicContact CG2-CD1 4.14Å; I65-Y108 HydrophobicContact CD1-CD1 3.87Å; I65-Y108 HydrophobicContact CD1-CE1 3.93Å |
| 66 | Y | 98.8 | Very high | 96.7 | Very high | 21 Ų | 21 | 71 Ų | 71 | 8% | 0.082 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 153.3 | 179.3 | -86.6 | -86.3 | 0 | 0 | 0 | 109.1 | W53 F74 Q75 K76 A80 V85 | W53-Y66 PolarHBondContact N-O 2.92Å; Y66-F74 AromaticContact CD1-CD2 3.96Å; Y66-F74 HydrophobicContact CD1-CD2 3.96Å; Y66-F74 AromaticContact CE1-CD2 3.88Å; Y66-F74 HydrophobicContact CE1-CD2 3.88Å; Y66-F74 HydrophobicContact CE1-CE2 4.23Å; Y66-Q75 WeakPolarHBondContact CA-O 3.45Å; Y66-Q75 WeakPolarHBondContact CD1-O 2.93Å; Y66-K76 HydrophobicContact CD1-CG 4.45Å; Y66-K76 HydrophobicContact CE1-CB 4.36Å; Y66-K76 HydrophobicContact CE1-CG 3.63Å; Y66-A80 HydrophobicContact CD2-CB 4.3Å; Y66-A80 HydrophobicContact CE1-CB 4.48Å; Y66-A80 HydrophobicContact CE2-CB 3.6Å; Y66-V85 HydrophobicContact CD1-CG2 3.57Å; Y66-V85 HydrophobicContact CD2-CG1 3.92Å; Y66-V85 HydrophobicContact CD2-CG2 4.19Å; Y66-V85 HydrophobicContact CE1-CG2 4.13Å; Y66-V85 HydrophobicContact CG-CB 4.41Å; Y66-V85 HydrophobicContact CG-CG1 3.86Å; Y66-V85 HydrophobicContact CG-CG2 3.62Å |
| 67 | Y | 98.7 | Very high | 96.8 | Very high | 62 Ų | 62 | 68.6 Ų | 68.6 | 24% | 0.243 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 161.4 | 166.6 | 71.3 | -80.8 | 0 | 0 | 0 | 110.4 | M51 Y52 L64 Q69 F74 Q75 | M51-Y67 CarbonylContact O-C 3.57Å; M51-Y67 VanDerWaalsContact O-CA 3.28Å; M51-Y67 WeakPolarHBondContact O-CA 3.47Å; Y52-Y67 HydrophobicContact CD1-CG 4.34Å; Y52-Y67 HydrophobicContact CE1-CD2 4.37Å; Y52-Y67 HydrophobicContact CE1-CG 4.27Å; L64-Y67 HydrophobicContact CD2-CD1 3.78Å; L64-Y67 HydrophobicContact CD2-CE1 4.44Å; L64-Y67 HydrophobicContact CD2-CG 4.48Å; Y67-Q69 HydrophobicContact CD2-CG 4.05Å; Y67-Q69 HydrophobicContact CE2-CG 3.97Å; Y67-F74 CarbonylContact O-C 3.29Å; Y67-F74 VanDerWaalsContact O-CA 3.31Å; Y67-F74 WeakPolarHBondContact O-CA 3.27Å; Y67-Q75 HydrophobicContact CD1-CB 3.92Å; Y67-Q75 HydrophobicContact CD2-CB 4.42Å; Y67-Q75 HydrophobicContact CE1-CB 3.36Å; Y67-Q75 HydrophobicContact CE1-CG 4.35Å; Y67-Q75 HydrophobicContact CE2-CB 3.9Å; Y67-Q75 HydrophobicContact CE2-CG 4.12Å; Y67-Q75 HydrophobicContact CG-CB 4.42Å; Y67-Q75 PolarHBondContact N-O 2.92Å; Y67-Q75 PolarHBondContact O-N 2.75Å |
| 68 | S | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 127.9 | 176.8 | 165.8 | 0 | 0 | 0 | 0 | 107.3 | A50 M51 I70 D73 R87 | A50-S68 CarbonylContact C-O 3.52Å; A50-S68 WeakPolarHBondContact CA-O 3.39Å; M51-S68 PolarHBondContact N-O 3.09Å; M51-S68 PolarHBondContact O-N 2.9Å; S68-I70 PolarHBondContact OG-O 2.93Å; S68-D73 WeakPolarHBondContact CB-O 3.24Å; S68-D73 PolarHBondContact OG-O 2.75Å; S68-R87 PolarHBondContact O-NH1 2.91Å; S68-R87 VanDerWaalsContact O-NH1 3.12Å; S68-R87 WeakPolarHBondContact OG-CD 3.28Å; S68-R87 WeakPolarHBondContact OG-CG 3.5Å; S68-R87 PolarHBondContact OG-NH1 2.82Å |
| 69 | Q | 98.2 | Very high | 97.1 | Very high | 109 Ų | 109 | 71 Ų | 71 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -93.6 | -24.3 | 177.9 | -66.1 | -176.4 | 106.9 | 0 | 0 | 112.3 | D49 Y67 | D49-Q69 CarbonylContact C-O 3.49Å; D49-Q69 VanDerWaalsContact C-O 3.29Å; D49-Q69 WeakPolarHBondContact CB-O 2.98Å; D49-Q69 CarbonylContact O-C 3.55Å; D49-Q69 VanDerWaalsContact O-O 3.14Å; Y67-Q69 HydrophobicContact CD2-CG 4.05Å; Y67-Q69 HydrophobicContact CE2-CG 3.97Å |
| 70 | I | 97.3 | Very high | 97.3 | Very high | 101 Ų | 101 | 67.1 Ų | 67.1 | 52% | 0.518 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -145.9 | 160.9 | -178.2 | 60.6 | 175.2 | 0 | 0 | 0 | 110.2 | S68 D73 | S68-I70 PolarHBondContact OG-O 2.93Å; I70-D73 HydrophobicContact CD1-CB 4.22Å; I70-D73 HydrophobicContact CG1-CB 3.7Å; I70-D73 PolarHBondContact O-N 2.87Å; I70-D73 VanDerWaalsContact O-O 3.08Å |
| 71 | V | 98.1 | Very high | 97.5 | Very high | 56 Ų | 56 | 71.1 Ų | 71.1 | 34% | 0.339 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 141.5 | 174 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | D73 R87 E88 K90 | V71-D73 PolarHBondContact O-N 2.76Å; V71-R87 WeakPolarHBondContact CG1-O 3.31Å; V71-E88 WeakPolarHBondContact CG1-O 3.48Å; V71-K90 HydrophobicContact CG2-CB 3.81Å |
| 72 | N | 97.8 | Very high | 97.4 | Very high | 132 Ų | 132 | 69.4 Ų | 69.4 | 71% | 0.706 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 12.5 | -177.6 | -55 | -43.9 | 0 | 0 | 0 | 115.7 | R87 | N72-R87 PolarHBondContact N-O 2.87Š|
| 73 | D | 98.2 | Very high | 97.4 | Very high | 61 Ų | 61 | 65.5 Ų | 65.5 | 33% | 0.326 | 33% | 0.326 | S | S | . | . | trans | -132.8 | 143.7 | 172.4 | -174.5 | 43 | 0 | 0 | 0 | 111.4 | S68 I70 V71 | S68-D73 WeakPolarHBondContact CB-O 3.24Å; S68-D73 PolarHBondContact OG-O 2.75Å; I70-D73 HydrophobicContact CD1-CB 4.22Å; I70-D73 HydrophobicContact CG1-CB 3.7Å; I70-D73 PolarHBondContact O-N 2.87Å; I70-D73 VanDerWaalsContact O-O 3.08Å; V71-D73 PolarHBondContact O-N 2.76Å | ||
| 74 | F | 98.5 | Very high | 97.4 | Very high | 82 Ų | 82 | 64.5 Ų | 64.5 | 36% | 0.36 | 33% | 0.33 | S | S | . | . | trans | -156.7 | 149 | 175.5 | 56.2 | -98.5 | 0 | 0 | 0 | 111 | Y66 Y67 V85 F93 | Y66-F74 AromaticContact CD1-CD2 3.96Å; Y66-F74 HydrophobicContact CD1-CD2 3.96Å; Y66-F74 AromaticContact CE1-CD2 3.88Å; Y66-F74 HydrophobicContact CE1-CD2 3.88Å; Y66-F74 HydrophobicContact CE1-CE2 4.23Å; Y67-F74 CarbonylContact O-C 3.29Å; Y67-F74 VanDerWaalsContact O-CA 3.31Å; Y67-F74 WeakPolarHBondContact O-CA 3.27Å; F74-V85 HydrophobicContact CB-CG2 3.99Å; F74-V85 HydrophobicContact CD1-CG2 4.22Å; F74-V85 HydrophobicContact CD2-CG2 3.68Å; F74-V85 HydrophobicContact CE2-CG2 4.21Å; F74-V85 HydrophobicContact CG-CG2 3.69Å; F74-F93 HydrophobicContact CB-CE2 4.3Å | ||
| 75 | Q | 98.6 | Very high | 97.4 | Very high | 89 Ų | 89 | 63.8 Ų | 63.8 | 42% | 0.416 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 144.7 | -173.7 | -62.1 | -68 | 51.2 | 0 | 0 | 110.7 | Y66 Y67 | Y66-Q75 WeakPolarHBondContact CA-O 3.45Å; Y66-Q75 WeakPolarHBondContact CD1-O 2.93Å; Y67-Q75 HydrophobicContact CD1-CB 3.92Å; Y67-Q75 HydrophobicContact CD2-CB 4.42Å; Y67-Q75 HydrophobicContact CE1-CB 3.36Å; Y67-Q75 HydrophobicContact CE1-CG 4.35Å; Y67-Q75 HydrophobicContact CE2-CB 3.9Å; Y67-Q75 HydrophobicContact CE2-CG 4.12Å; Y67-Q75 HydrophobicContact CG-CB 4.42Å; Y67-Q75 PolarHBondContact N-O 2.92Å; Y67-Q75 PolarHBondContact O-N 2.75Å |
| 76 | K | 98.6 | Very high | 97.4 | Very high | 154 Ų | 154 | 65.7 Ų | 65.7 | 67% | 0.67 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 137 | 177.3 | -66.2 | -177 | 179 | 179.5 | 0 | 110.1 | Y66 A80 | Y66-K76 HydrophobicContact CD1-CG 4.45Å; Y66-K76 HydrophobicContact CE1-CB 4.36Å; Y66-K76 HydrophobicContact CE1-CG 3.63Å; K76-A80 HydrophobicContact CB-CB 3.74Å; K76-A80 HydrophobicContact CD-CB 3.94Å; K76-A80 HydrophobicContact CG-CB 3.69Å |
| 77 | G | 98.1 | Very high | 97.4 | Very high | 21 Ų | 21 | 64.9 Ų | 64.9 | 22% | 0.216 | 34% | 0.337 | C | S | . | . | trans | -88.9 | -160.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112 | L64 I65 I79 | L64-G77 CarbonylContact O-C 3.43Å; L64-G77 WeakPolarHBondContact O-CA 3.09Å; I65-G77 WeakPolarHBondContact O-CA 3.18Å; I65-G77 PolarHBondContact O-N 2.88Å; G77-I79 VanDerWaalsContact C-N 3.26Å; G77-I79 PolarHBondContact O-N 3.13Å | ||
| 78 | D | 96.1 | Very high | 97.4 | Very high | 127 Ų | 127 | 68.8 Ų | 68.8 | 68% | 0.679 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -31.6 | -178.7 | -47.6 | -49.9 | 0 | 0 | 0 | 113.1 | L64 | L64-D78 PolarHBondContact N-OD2 2.95Å; L64-D78 PolarHBondContact O-N 2.8Å |
| 79 | I | 94.9 | Very high | 97.3 | Very high | 39 Ų | 39 | 75.1 Ų | 75.1 | 20% | 0.2 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.4 | 51.6 | -169.5 | 54.8 | 161.9 | 0 | 0 | 0 | 113.1 | R55 R63 L64 I65 G77 E81 Y83 | R55-I79 HydrophobicContact CB-CD1 3.84Å; R55-I79 HydrophobicContact CG-CD1 4.04Å; R63-I79 HydrophobicContact CB-CD1 3.58Å; R63-I79 HydrophobicContact CB-CG1 3.92Å; L64-I79 VanDerWaalsContact O-CG1 3.28Å; L64-I79 WeakPolarHBondContact O-CG1 3.13Å; L64-I79 PolarHBondContact O-N 3.08Å; L64-I79 VanDerWaalsContact O-N 3.08Å; I65-I79 HydrophobicContact CG1-CD1 4.06Å; I65-I79 HydrophobicContact CG1-CG1 4.14Å; G77-I79 VanDerWaalsContact C-N 3.26Å; G77-I79 PolarHBondContact O-N 3.13Å; I79-E81 VanDerWaalsContact C-N 3.32Å; I79-E81 PolarHBondContact O-N 3.35Å; I79-Y83 WeakPolarHBondContact O-CD2 3.43Å; I79-Y83 VanDerWaalsContact O-CE2 3.24Å; I79-Y83 WeakPolarHBondContact O-CE2 3.14Å |
| 80 | A | 96.2 | Very high | 97.3 | Very high | 13 Ų | 13 | 72 Ų | 72 | 11% | 0.107 | 37% | 0.369 | C | S | . | . | trans | -72.7 | -17.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y66 K76 G82 Y83 | Y66-A80 HydrophobicContact CD2-CB 4.3Å; Y66-A80 HydrophobicContact CE1-CB 4.48Å; Y66-A80 HydrophobicContact CE2-CB 3.6Å; K76-A80 HydrophobicContact CB-CB 3.74Å; K76-A80 HydrophobicContact CD-CB 3.94Å; K76-A80 HydrophobicContact CG-CB 3.69Å; A80-G82 PolarHBondContact O-N 2.95Å; A80-Y83 PolarHBondContact O-N 2Å | ||
| 81 | E | 94.7 | Very high | 97.3 | Very high | 177 Ų | 177 | 71.3 Ų | 71.3 | 83% | 0.827 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 133.2 | 179.7 | -172.2 | 179.3 | -174.5 | 0 | 0 | 111.5 | I79 Y83 | I79-E81 VanDerWaalsContact C-N 3.32Å; I79-E81 PolarHBondContact O-N 3.35Å; E81-Y83 VanDerWaalsContact C-N 3.33Å; E81-Y83 WeakPolarHBondContact O-CD2 3.32Å; E81-Y83 VanDerWaalsContact O-CE2 3.27Å; E81-Y83 WeakPolarHBondContact O-CE2 3.32Å |
| 82 | G | 94.3 | Very high | 97.3 | Very high | 15 Ų | 15 | 69.7 Ų | 69.7 | 16% | 0.155 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A80 T98 | A80-G82 PolarHBondContact O-N 2.95Å; G82-T98 WeakPolarHBondContact CA-OG1 3.46Å; G82-T98 PolarHBondContact O-N 3.22Å; G82-T98 PolarHBondContact O-OG1 2.78Å; G82-T98 VanDerWaalsContact O-OG1 3.08Å |
| 83 | Y | 96.1 | Very high | 97.4 | Very high | 13 Ų | 13 | 63.4 Ų | 63.4 | 5% | 0.051 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 157.5 | 179.3 | -55 | -81.4 | 0 | 0 | 0 | 112.5 | R55 I65 I79 A80 E81 L95 T96 V97 Q101 Y108 | R55-Y83 PolarHBondContact NE-OH 2.68Å; R55-Y83 PolarHBondContact NH1-OH 3.2Å; R55-Y83 PolarHBondContact NH2-OH 3.46Å; R55-Y83 VanDerWaalsContact NH2-OH 3.09Å; I65-Y83 HydrophobicContact CD1-CD1 4.33Å; I65-Y83 HydrophobicContact CD1-CE1 4.09Å; I65-Y83 HydrophobicContact CG2-CD1 3.98Å; I65-Y83 HydrophobicContact CG2-CD2 3.35Å; I65-Y83 HydrophobicContact CG2-CE1 4.49Å; I65-Y83 HydrophobicContact CG2-CE2 3.92Å; I65-Y83 HydrophobicContact CG2-CG 3.35Å; I79-Y83 WeakPolarHBondContact O-CD2 3.43Å; I79-Y83 VanDerWaalsContact O-CE2 3.24Å; I79-Y83 WeakPolarHBondContact O-CE2 3.14Å; A80-Y83 PolarHBondContact O-N 2Å; E81-Y83 VanDerWaalsContact C-N 3.33Å; E81-Y83 WeakPolarHBondContact O-CD2 3.32Å; E81-Y83 VanDerWaalsContact O-CE2 3.27Å; E81-Y83 WeakPolarHBondContact O-CE2 3.32Å; Y83-L95 HydrophobicContact CD1-CD1 3.97Å; Y83-L95 HydrophobicContact CD1-CD2 4.33Å; Y83-L95 HydrophobicContact CD1-CG 4.35Å; Y83-L95 HydrophobicContact CG-CD1 4.27Å; Y83-T96 CarbonylContact C-O 3.54Å; Y83-T96 VanDerWaalsContact CA-O 3.27Å; Y83-T96 WeakPolarHBondContact CA-O 3.39Å; Y83-V97 HydrophobicContact CD1-CB 4.37Å; Y83-V97 HydrophobicContact CD1-CG1 4.34Å; Y83-V97 HydrophobicContact CD1-CG2 4.08Å; Y83-V97 HydrophobicContact CE1-CB 4.3Å; Y83-V97 HydrophobicContact CE1-CG1 3.92Å; Y83-V97 HydrophobicContact CE1-CG2 3.92Å; Y83-Q101 PolarHBondContact OH-NE2 2.89Å; Y83-Y108 AromaticContact CE1-CE1 3.64Å; Y83-Y108 HydrophobicContact CE1-CE1 3.64Å |
| 84 | S | 97.2 | Very high | 97.4 | Very high | 52 Ų | 52 | 61.8 Ų | 61.8 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 155.3 | 163.8 | 59.2 | 0 | 0 | 0 | 0 | 110.2 | T96 | S84-T96 PolarHBondContact N-O 3.45Å; S84-T96 PolarHBondContact O-N 3.49Å; S84-T96 WeakPolarHBondContact OG-CB 3.28Å |
| 85 | V | 98.5 | Very high | 97.4 | Very high | 16 Ų | 16 | 57.9 Ų | 57.9 | 10% | 0.097 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 163.9 | 178 | -66.7 | 0 | 0 | 0 | 0 | 110 | Y66 F74 F93 P94 L95 | Y66-V85 HydrophobicContact CD1-CG2 3.57Å; Y66-V85 HydrophobicContact CD2-CG1 3.92Å; Y66-V85 HydrophobicContact CD2-CG2 4.19Å; Y66-V85 HydrophobicContact CE1-CG2 4.13Å; Y66-V85 HydrophobicContact CG-CB 4.41Å; Y66-V85 HydrophobicContact CG-CG1 3.86Å; Y66-V85 HydrophobicContact CG-CG2 3.62Å; F74-V85 HydrophobicContact CB-CG2 3.99Å; F74-V85 HydrophobicContact CD1-CG2 4.22Å; F74-V85 HydrophobicContact CD2-CG2 3.68Å; F74-V85 HydrophobicContact CE2-CG2 4.21Å; F74-V85 HydrophobicContact CG-CG2 3.69Å; V85-F93 HydrophobicContact CB-CD2 4.41Å; V85-F93 HydrophobicContact CB-CE2 3.71Å; V85-F93 HydrophobicContact CB-CZ 4.06Å; V85-F93 HydrophobicContact CG1-CE2 4.2Å; V85-F93 HydrophobicContact CG1-CZ 4.09Å; V85-F93 HydrophobicContact CG2-CE2 3.78Å; V85-F93 HydrophobicContact CG2-CZ 3.99Å; V85-P94 WeakPolarHBondContact CA-O 3.4Å; V85-L95 HydrophobicContact CG1-CB 4.44Å; V85-L95 HydrophobicContact CG1-CD1 3.65Å |
| 86 | S | 98.1 | Very high | 97.3 | Very high | 39 Ų | 39 | 55 Ų | 55 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | trans | -134.4 | 149.5 | 162.8 | 66.3 | 0 | 0 | 0 | 0 | 109.8 | F93 P94 | S86-F93 VanDerWaalsContact O-CD2 3.27Å; S86-F93 WeakPolarHBondContact O-CD2 3.31Å; S86-P94 PolarHBondContact N-O 2.82Å; S86-P94 WeakPolarHBondContact O-CD 3.11Å; S86-P94 VanDerWaalsContact OG-CG 3.32Å; S86-P94 WeakPolarHBondContact OG-CG 3.22Å | ||
| 87 | R | 97.9 | Very high | 97.1 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | trans | -129.3 | 64.6 | 174.6 | -168.4 | 82.7 | -174.4 | -90.5 | 3.7 | 110.3 | D49 S68 V71 N72 K89 K90 S92 F93 | D49-R87 VanDerWaalsContact O-CZ 3.3Å; D49-R87 PolarHBondContact O-NH1 3.01Å; D49-R87 PolarHBondContact O-NH2 3.08Å; S68-R87 PolarHBondContact O-NH1 2.91Å; S68-R87 VanDerWaalsContact O-NH1 3.12Å; S68-R87 WeakPolarHBondContact OG-CD 3.28Å; S68-R87 WeakPolarHBondContact OG-CG 3.5Å; S68-R87 PolarHBondContact OG-NH1 2.82Å; V71-R87 WeakPolarHBondContact CG1-O 3.31Å; N72-R87 PolarHBondContact N-O 2.87Å; R87-K89 VanDerWaalsContact C-N 3.34Å; R87-K89 PolarHBondContact NE-O 3.31Å; R87-K90 PolarHBondContact NH2-O 3.31Å; R87-S92 WeakPolarHBondContact CD-O 3.32Å; R87-F93 HydrophobicContact CB-CD2 4.07Å; R87-F93 HydrophobicContact CB-CE2 4.28Å; R87-F93 HydrophobicContact CG-CD2 4.41Å | ||
| 88 | E | 98.2 | Very high | 96.8 | Very high | 145 Ų | 145 | 48.8 Ų | 48.8 | 68% | 0.678 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -77.3 | -22.2 | -178.5 | -64.3 | 175.4 | -167.1 | 0 | 0 | 113 | V71 | V71-E88 WeakPolarHBondContact CG1-O 3.48Š|
| 89 | K | 98.2 | Very high | 96.3 | Very high | 133 Ų | 133 | 45.6 Ų | 45.6 | 58% | 0.578 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -134.8 | 155.2 | -179 | -62.1 | -178.5 | -176.1 | 175.9 | 0 | 110.4 | R87 E91 S92 | R87-K89 VanDerWaalsContact C-N 3.34Å; R87-K89 PolarHBondContact NE-O 3.31Å; K89-E91 VanDerWaalsContact C-N 3.26Å; K89-E91 PolarHBondContact O-N 2.88Å; K89-S92 PolarHBondContact O-N 3.45Å; K89-S92 VanDerWaalsContact O-O 3.06Å |
| 90 | K | 97.6 | Very high | 95.5 | Very high | 42 Ų | 42 | 47.5 Ų | 47.5 | 18% | 0.183 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -67 | -33.6 | 179.7 | -175.9 | 169.6 | 174.2 | 171.6 | 0 | 111.3 | Q44 N47 H48 D49 V71 R87 | Q44-K90 PolarHBondContact NE2-O 3.31Å; N47-K90 VanDerWaalsContact C-CE 3.46Å; N47-K90 WeakPolarHBondContact O-CE 3.47Å; N47-K90 PolarHBondContact O-NZ 3.42Å; N47-K90 VanDerWaalsContact OD1-CE 3.25Å; N47-K90 WeakPolarHBondContact OD1-CE 3.18Å; N47-K90 PolarHBondContact OD1-NZ 3.02Å; H48-K90 VanDerWaalsContact C-CE 3.45Å; H48-K90 WeakPolarHBondContact O-CE 3.48Å; D49-K90 WeakPolarHBondContact OD1-CE 3.37Å; D49-K90 IonicContact OD1-NZ 3.68Å; D49-K90 PolarHBondContact OD1-NZ 3.49Å; D49-K90 IonicContact OD2-NZ 2.62Å; V71-K90 HydrophobicContact CG2-CB 3.81Å; R87-K90 PolarHBondContact NH2-O 3.31Å |
| 91 | E | 97.8 | Very high | 94.7 | Very high | 88 Ų | 88 | 48.9 Ų | 48.9 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -77.6 | -26.3 | -177.8 | -57.5 | 74 | -159.8 | 0 | 0 | 112.3 | E43 Q44 K89 | E43-E91 CarbonylContact C-O 3.47Å; E43-E91 WeakPolarHBondContact CA-O 3.39Å; Q44-E91 PolarHBondContact N-O 2.81Å; Q44-E91 WeakPolarHBondContact O-CB 3.31Å; K89-E91 VanDerWaalsContact C-N 3.26Å; K89-E91 PolarHBondContact O-N 2.88Å |
| 92 | S | 98.4 | Very high | 93.7 | Very high | 21 Ų | 21 | 50.1 Ų | 50.1 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -117 | 131.4 | -166.3 | -165.4 | 0 | 0 | 0 | 0 | 112.5 | C42 E43 R87 K89 | C42-S92 WeakPolarHBondContact O-CA 3.32Å; E43-S92 WeakPolarHBondContact OE1-CB 3.37Å; E43-S92 PolarHBondContact OE1-OG 2.77Å; E43-S92 WeakPolarHBondContact OE2-CA 3.43Å; E43-S92 VanDerWaalsContact OE2-CB 3.31Å; E43-S92 WeakPolarHBondContact OE2-CB 3.34Å; R87-S92 WeakPolarHBondContact CD-O 3.32Å; K89-S92 PolarHBondContact O-N 3.45Å; K89-S92 VanDerWaalsContact O-O 3.06Å |
| 93 | F | 98.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -140.3 | 78.6 | 172.3 | -167.8 | -139.5 | 0 | 0 | 0 | 110 | C42 M51 W53 F74 V85 S86 R87 | C42-F93 PolarHBondContact O-N 3.34Å; M51-F93 HydrophobicContact CB-CB 3.83Å; M51-F93 HydrophobicContact CB-CD1 3.6Å; M51-F93 HydrophobicContact CB-CE1 4.37Å; M51-F93 HydrophobicContact CB-CG 3.92Å; M51-F93 HydrophobicContact CE-CB 3.78Å; M51-F93 HydrophobicContact CG-CB 4.38Å; M51-F93 WeakPolarHBondContact O-CE1 3.27Å; M51-F93 HydrophobicContact SD-CB 3.66Å; W53-F93 AromaticContact CD1-CD1 3.45Å; W53-F93 VanDerWaalsContact CD1-CD1 3.45Å; W53-F93 AromaticContact CD1-CE1 3.61Å; W53-F93 AromaticContact NE1-CD1 3.81Å; W53-F93 PolarHBondContact NE1-O 2.95Å; F74-F93 HydrophobicContact CB-CE2 4.3Å; V85-F93 HydrophobicContact CB-CD2 4.41Å; V85-F93 HydrophobicContact CB-CE2 3.71Å; V85-F93 HydrophobicContact CB-CZ 4.06Å; V85-F93 HydrophobicContact CG1-CE2 4.2Å; V85-F93 HydrophobicContact CG1-CZ 4.09Å; V85-F93 HydrophobicContact CG2-CE2 3.78Å; V85-F93 HydrophobicContact CG2-CZ 3.99Å; S86-F93 VanDerWaalsContact O-CD2 3.27Å; S86-F93 WeakPolarHBondContact O-CD2 3.31Å; R87-F93 HydrophobicContact CB-CD2 4.07Å; R87-F93 HydrophobicContact CB-CE2 4.28Å; R87-F93 HydrophobicContact CG-CD2 4.41Å | ||
| 94 | P | 98.6 | Very high | 91.8 | Very high | 27 Ų | 27 | 55.8 Ų | 55.8 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | trans | -71.5 | 145.3 | 178.2 | 28.6 | -37 | 0 | 0 | 0 | 112.7 | T39 L40 V85 S86 | T39-P94 HydrophobicContact CG2-CB 4.01Å; L40-P94 CarbonylContact O-C 3.4Å; L40-P94 VanDerWaalsContact O-CA 3.3Å; L40-P94 WeakPolarHBondContact O-CA 3.37Å; V85-P94 WeakPolarHBondContact CA-O 3.4Å; S86-P94 PolarHBondContact N-O 2.82Å; S86-P94 WeakPolarHBondContact O-CD 3.11Å; S86-P94 VanDerWaalsContact OG-CG 3.32Å; S86-P94 WeakPolarHBondContact OG-CG 3.22Å | ||
| 95 | L | 98.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.7 | 174 | 175.1 | 71.7 | 0 | 0 | 0 | 110.2 | T39 L40 W53 I65 Y83 V85 Y108 | T39-L95 CarbonylContact C-O 3.39Å; T39-L95 WeakPolarHBondContact CA-O 3.28Å; L40-L95 HydrophobicContact CD1-CD2 4.4Å; L40-L95 PolarHBondContact N-O 3.44Å; L40-L95 PolarHBondContact O-N 3.49Å; W53-L95 HydrophobicContact CB-CD1 4.49Å; W53-L95 HydrophobicContact CB-CD2 4.21Å; W53-L95 HydrophobicContact CD2-CB 3.65Å; W53-L95 HydrophobicContact CD2-CD2 3.77Å; W53-L95 HydrophobicContact CD2-CG 4.27Å; W53-L95 VanDerWaalsContact CE2-CB 3.41Å; W53-L95 HydrophobicContact CE3-CB 4.31Å; W53-L95 HydrophobicContact CE3-CD2 3.8Å; W53-L95 HydrophobicContact CG-CB 3.82Å; W53-L95 HydrophobicContact CG-CD1 4.37Å; W53-L95 HydrophobicContact CG-CD2 3.97Å; W53-L95 HydrophobicContact CG-CG 4.28Å; W53-L95 HydrophobicContact CH2-CB 4.5Å; W53-L95 HydrophobicContact CZ2-CB 3.86Å; W53-L95 HydrophobicContact CZ3-CD2 4.41Å; I65-L95 HydrophobicContact CD1-CD2 3.75Å; I65-L95 HydrophobicContact CG2-CD1 4.14Å; Y83-L95 HydrophobicContact CD1-CD1 3.97Å; Y83-L95 HydrophobicContact CD1-CD2 4.33Å; Y83-L95 HydrophobicContact CD1-CG 4.35Å; Y83-L95 HydrophobicContact CG-CD1 4.27Å; V85-L95 HydrophobicContact CG1-CB 4.44Å; V85-L95 HydrophobicContact CG1-CD1 3.65Å; L95-Y108 HydrophobicContact CD2-CD1 3.79Å; L95-Y108 HydrophobicContact CD2-CE1 4.17Å |
| 96 | T | 96.8 | Very high | 90.9 | Very high | 28 Ų | 28 | 58.9 Ų | 58.9 | 17% | 0.172 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 119.7 | 169.4 | -60.2 | 0 | 0 | 0 | 0 | 110.4 | N37 V38 T39 Y83 S84 | N37-T96 HydrophobicContact CB-CG2 4.37Å; V38-T96 CarbonylContact O-C 3.54Å; V38-T96 WeakPolarHBondContact O-CA 3.26Å; T39-T96 PolarHBondContact OG1-OG1 3.44Å; Y83-T96 CarbonylContact C-O 3.54Å; Y83-T96 VanDerWaalsContact CA-O 3.27Å; Y83-T96 WeakPolarHBondContact CA-O 3.39Å; S84-T96 PolarHBondContact N-O 3.45Å; S84-T96 PolarHBondContact O-N 3.49Å; S84-T96 WeakPolarHBondContact OG-CB 3.28Å |
| 97 | V | 94.9 | Very high | 90.8 | Very high | 11 Ų | 11 | 63.4 Ų | 63.4 | 7% | 0.067 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 120.8 | 167.8 | -170.9 | 0 | 0 | 0 | 0 | 107.7 | N37 V38 Y83 Q101 Y108 | N37-V97 WeakPolarHBondContact CA-O 3.04Å; V38-V97 HydrophobicContact CB-CB 4.42Å; V38-V97 PolarHBondContact N-O 2.62Å; V38-V97 PolarHBondContact O-N 3.46Å; Y83-V97 HydrophobicContact CD1-CB 4.37Å; Y83-V97 HydrophobicContact CD1-CG1 4.34Å; Y83-V97 HydrophobicContact CD1-CG2 4.08Å; Y83-V97 HydrophobicContact CE1-CB 4.3Å; Y83-V97 HydrophobicContact CE1-CG1 3.92Å; Y83-V97 HydrophobicContact CE1-CG2 3.92Å; V97-Q101 HydrophobicContact CG1-CB 4.14Å; V97-Q101 HydrophobicContact CG1-CG 4.29Å; V97-Y108 HydrophobicContact CG2-CE1 4.02Å; V97-Y108 HydrophobicContact CG2-CE2 4.41Å |
| 98 | T | 92.2 | Very high | 90.7 | Very high | 35 Ų | 35 | 65 Ų | 65 | 22% | 0.215 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 154.9 | -177 | 74 | 0 | 0 | 0 | 0 | 111.5 | N37 G82 A100 Q101 | N37-T98 WeakPolarHBondContact OD1-CA 3.46Å; G82-T98 WeakPolarHBondContact CA-OG1 3.46Å; G82-T98 PolarHBondContact O-N 3.22Å; G82-T98 PolarHBondContact O-OG1 2.78Å; G82-T98 VanDerWaalsContact O-OG1 3.08Å; T98-A100 PolarHBondContact O-N 3.29Å; T98-A100 VanDerWaalsContact O-N 3.13Å; T98-Q101 VanDerWaalsContact O-CB 3.32Å; T98-Q101 WeakPolarHBondContact O-CB 3.25Å; T98-Q101 PolarHBondContact O-N 2.95Å |
| 99 | S | 84.8 | Confident | 90.6 | Very high | 60 Ų | 60 | 61.3 Ų | 61.3 | 42% | 0.42 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -19.2 | 176.5 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | G35 N37 Q101 | G35-S99 WeakPolarHBondContact O-CB 3.42Å; N37-S99 WeakPolarHBondContact OD1-CB 3.48Å; N37-S99 PolarHBondContact OD1-N 2.97Å; N37-S99 PolarHBondContact OD1-OG 3.23Å; S99-Q101 PolarHBondContact O-N 2.91Å |
| 100 | A | 79.3 | Confident | 90.6 | Very high | 78 Ų | 78 | 55.7 Ų | 55.7 | 65% | 0.645 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -9.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T98 K102 | T98-A100 PolarHBondContact O-N 3.29Å; T98-A100 VanDerWaalsContact O-N 3.13Å; A100-K102 PolarHBondContact O-N 2.84Å |
| 101 | Q | 79.2 | Confident | 90.6 | Very high | 43 Ų | 43 | 55.2 Ų | 55.2 | 20% | 0.201 | 31% | 0.31 | C | S | . | . | trans | -73.7 | 115.5 | -174.6 | -178 | 58.7 | -43.8 | 0 | 0 | 112.1 | Y83 V97 T98 S99 N103 | Y83-Q101 PolarHBondContact OH-NE2 2.89Å; V97-Q101 HydrophobicContact CG1-CB 4.14Å; V97-Q101 HydrophobicContact CG1-CG 4.29Å; T98-Q101 VanDerWaalsContact O-CB 3.32Å; T98-Q101 WeakPolarHBondContact O-CB 3.25Å; T98-Q101 PolarHBondContact O-N 2.95Å; S99-Q101 PolarHBondContact O-N 2.91Å; Q101-N103 VanDerWaalsContact C-N 3.32Å; Q101-N103 PolarHBondContact O-N 2.86Å | ||
| 102 | K | 73.3 | Confident | 90.6 | Very high | 203 Ų | 203 | 51.9 Ų | 51.9 | 88% | 0.883 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -66.4 | -28.7 | -172.9 | -68.5 | -179.5 | 179.8 | 175 | 0 | 114.5 | A100 | A100-K102 PolarHBondContact O-N 2.84Š|
| 103 | N | 77 | Confident | 90.5 | Very high | 73 Ų | 73 | 52.8 Ų | 52.8 | 39% | 0.39 | 30% | 0.304 | S | S | . | . | trans | -127.7 | 89 | 175.4 | -177.2 | 11.5 | 0 | 0 | 0 | 108.8 | R55 Q101 T105 | R55-N103 PolarHBondContact NH1-O 3Å; R55-N103 PolarHBondContact NH2-O 2.86Å; Q101-N103 VanDerWaalsContact C-N 3.32Å; Q101-N103 PolarHBondContact O-N 2.86Å; N103-T105 VanDerWaalsContact C-N 3.27Å; N103-T105 PolarHBondContact OD1-N 3.25Å; N103-T105 PolarHBondContact OD1-O 3.43Å | ||
| 104 | P | 72.4 | Confident | 90.3 | Very high | 74 Ų | 74 | 60.7 Ų | 60.7 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | trans | -76.6 | -16.2 | -179.2 | 30.2 | -34.1 | 0 | 0 | 0 | 112.6 | A106 | P104-A106 PolarHBondContact O-N 3.32Š| ||
| 105 | T | 86.4 | Confident | 89.9 | Confident | 108 Ų | 108 | 62.4 Ų | 62.4 | 66% | 0.663 | 35% | 0.353 | S | S | * | . | trans | -81 | 99.2 | -178.5 | -54.6 | 0 | 0 | 0 | 0 | 110.4 | N103 | N103-T105 VanDerWaalsContact C-N 3.27Å; N103-T105 PolarHBondContact OD1-N 3.25Å; N103-T105 PolarHBondContact OD1-O 3.43Å | ||
| 106 | A | 91.6 | Very high | 89.4 | Confident | 24 Ų | 24 | 65.7 Ų | 65.7 | 20% | 0.198 | 37% | 0.371 | C | S | . | . | trans | -153.4 | 165.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | R55 P104 Y108 | R55-A106 HydrophobicContact CG-CB 4.04Å; R55-A106 VanDerWaalsContact NE-CB 3.32Å; P104-A106 PolarHBondContact O-N 3.32Å; A106-Y108 HydrophobicContact CB-CE2 4.14Å; A106-Y108 WeakPolarHBondContact O-CD2 3.4Å | ||
| 107 | F | 94.9 | Very high | 89 | Confident | 135 Ų | 135 | 67.8 Ų | 67.8 | 59% | 0.592 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 137.3 | 165.1 | -67.6 | -80.9 | 0 | 0 | 0 | 109.6 | R55 Q56 | R55-F107 CarbonylContact C-O 3.58Å; R55-F107 WeakPolarHBondContact CA-O 3.17Å; Q56-F107 HydrophobicContact CB-CB 4.2Å; Q56-F107 PolarHBondContact N-O 2.89Å; Q56-F107 PolarHBondContact O-N 2.78Å |
| 108 | Y | 96.1 | Very high | 88.7 | Confident | 36 Ų | 36 | 71.1 Ų | 71.1 | 14% | 0.141 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.1 | 178.3 | -66.1 | -86.2 | 0 | 0 | 0 | 109.4 | Q25 L40 Y54 R55 I65 Y83 L95 V97 A106 | Q25-Y108 PolarHBondContact NE2-O 2.79Å; L40-Y108 HydrophobicContact CD1-CD1 4.17Å; L40-Y108 HydrophobicContact CD1-CD2 3.8Å; L40-Y108 HydrophobicContact CD1-CE2 4.49Å; L40-Y108 HydrophobicContact CD1-CG 3.58Å; Y54-Y108 WeakPolarHBondContact O-CA 3.18Å; R55-Y108 HydrophobicContact CB-CD1 4.36Å; R55-Y108 HydrophobicContact CB-CE1 4.28Å; R55-Y108 PolarHBondContact NH2-OH 2.9Å; I65-Y108 HydrophobicContact CD1-CD1 3.87Å; I65-Y108 HydrophobicContact CD1-CE1 3.93Å; Y83-Y108 AromaticContact CE1-CE1 3.64Å; Y83-Y108 HydrophobicContact CE1-CE1 3.64Å; L95-Y108 HydrophobicContact CD2-CD1 3.79Å; L95-Y108 HydrophobicContact CD2-CE1 4.17Å; V97-Y108 HydrophobicContact CG2-CE1 4.02Å; V97-Y108 HydrophobicContact CG2-CE2 4.41Å; A106-Y108 HydrophobicContact CB-CE2 4.14Å; A106-Y108 WeakPolarHBondContact O-CD2 3.4Å |
| 109 | L | 97 | Very high | 88.4 | Confident | 69 Ų | 69 | 73.4 Ų | 73.4 | 36% | 0.361 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 129 | -174.5 | -69.1 | 162.7 | 0 | 0 | 0 | 109.2 | Y54 L62 | Y54-L109 PolarHBondContact N-O 2.88Å; Y54-L109 PolarHBondContact O-N 3.12Å; L62-L109 HydrophobicContact CD2-CD1 3.47Å; L62-L109 VanDerWaalsContact CD2-CD1 3.47Å |
| 110 | C | 97.9 | Very high | 88.7 | Confident | 14 Ų | 14 | 74.3 Ų | 74.3 | 10% | 0.095 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 142.9 | 171.5 | -173.4 | 0 | 0 | 0 | 0 | 110 | I23 Q25 C42 Y52 W53 | I23-C110 HydrophobicContact CG2-CB 4.31Å; Q25-C110 HydrophobicContact CG-CB 3.74Å; C42-C110 HydrophobicContact CB-CB 3.54Å; C42-C110 WeakPolarHBondContact CB-SG 3.04Å; C42-C110 WeakPolarHBondContact SG-CB 3.33Å; C42-C110 CovalentContact SG-SG 2Å; C42-C110 PolarHBondContact SG-SG 3.27Å; Y52-C110 VanDerWaalsContact O-CA 3.31Å; Y52-C110 WeakPolarHBondContact O-CA 3.31Å; W53-C110 HydrophobicContact CD2-CB 4.28Å; W53-C110 HydrophobicContact CE3-CB 4.16Å; W53-C110 HydrophobicContact CH2-CB 4.03Å; W53-C110 HydrophobicContact CZ2-CB 4.14Å; W53-C110 HydrophobicContact CZ3-CB 4.02Å |
| 111 | A | 97.8 | Very high | 89.4 | Confident | 32 Ų | 32 | 74 Ų | 74 | 26% | 0.264 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 163.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | M51 Y52 Y54 | M51-A111 CarbonylContact C-O 3.56Å; M51-A111 VanDerWaalsContact CA-O 3.32Å; M51-A111 WeakPolarHBondContact CA-O 3.12Å; Y52-A111 HydrophobicContact CD2-CB 4.43Å; Y52-A111 PolarHBondContact N-O 2.94Å; Y52-A111 PolarHBondContact O-N 2.62Å; Y54-A111 HydrophobicContact CE2-CB 4.11Å |
| 112 | S | 97.5 | Very high | 90.1 | Very high | 19 Ų | 19 | 76.4 Ų | 76.4 | 13% | 0.133 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 156 | 172 | 66.6 | 0 | 0 | 0 | 0 | 111 | I23 H48 A50 | I23-S112 WeakPolarHBondContact CD1-OG 3.15Å; H48-S112 PolarHBondContact ND1-O 3.04Å; H48-S112 PolarHBondContact ND1-OG 3.32Å; A50-S112 CarbonylContact O-C 3.53Å; A50-S112 WeakPolarHBondContact O-CA 3.42Å; A50-S112 WeakPolarHBondContact O-CB 3.33Å |
| 113 | S | 96.6 | Very high | 91.5 | Very high | 40 Ų | 40 | 65.8 Ų | 65.8 | 28% | 0.28 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 155.6 | 172.5 | 68.1 | 0 | 0 | 0 | 0 | 111.3 | H48 D49 A50 Y52 | H48-S113 VanDerWaalsContact CB-O 3.26Å; H48-S113 WeakPolarHBondContact CB-O 3.19Å; H48-S113 VanDerWaalsContact CG-C 3.45Å; H48-S113 PolarHBondContact ND1-N 2.75Å; D49-S113 PolarHBondContact N-O 2.9Å; A50-S113 PolarHBondContact N-O 2.77Å; A50-S113 PolarHBondContact O-N 2.66Å; Y52-S113 PolarHBondContact OH-OG 3.32Å |
| 114 | I | 93.3 | Very high | 92.9 | Very high | 166 Ų | 166 | 65.2 Ų | 65.2 | 85% | 0.851 | 37% | 0.369 | S | S | * | . | trans | -53.4 | 0 | 168.1 | -55 | 172.8 | 0 | 0 | 0 | 109.2 |
Retrieved 114 of 114 residues in 89.1 ms
(Link to these results)