| 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 | 51.8 | Low | 59 | Low | 250 Ų | 250 | 158.1 Ų | 158.1 | 100% | 1.232 | 80% | 0.796 | S | S | * | * | 0 | 89.1 | 0 | -65.2 | -84.8 | -163.9 | 0 | 0 | 107.2 | |||||
| 2 | A | 52.9 | Low | 59.7 | Low | 100 Ų | 100 | 156.4 Ų | 156.4 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -116.2 | 108.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 3 | W | 50.8 | Low | 60 | Low | 235 Ų | 235 | 157.3 Ų | 157.3 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -84.4 | 113.3 | 177.2 | -176 | -2.6 | 0 | 0 | 0 | 108.1 | S5 | W3-S5 PolarHBondContact O-N 3.24Š| ||
| 4 | V | 60.3 | Low | 60.2 | Low | 103 Ų | 103 | 154 Ų | 154 | 62% | 0.624 | 78% | 0.784 | S | S | * | * | trans | -77.3 | 105.3 | 169.6 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | F6 | V4-F6 HydrophobicContact CG1-CD2 4.04Å; V4-F6 HydrophobicContact CG1-CE2 3.98Å; V4-F6 PolarHBondContact O-N 2.91Å | ||
| 5 | S | 59.3 | Low | 60.5 | Low | 73 Ų | 73 | 151.3 Ų | 151.3 | 51% | 0.51 | 78% | 0.778 | S | S | . | * | trans | -70.9 | 107.2 | 167.7 | -79 | 0 | 0 | 0 | 0 | 109.2 | W3 Y7 | W3-S5 PolarHBondContact O-N 3.24Å; S5-Y7 PolarHBondContact O-N 3.23Å | ||
| 6 | F | 62 | Low | 60.5 | Low | 181 Ų | 181 | 146.3 Ų | 146.3 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -76.6 | 102.2 | 168 | -91.1 | -95.3 | 0 | 0 | 0 | 109 | V4 L8 | V4-F6 HydrophobicContact CG1-CD2 4.04Å; V4-F6 HydrophobicContact CG1-CE2 3.98Å; V4-F6 PolarHBondContact O-N 2.91Å; F6-L8 PolarHBondContact O-N 3.37Å | ||
| 7 | Y | 61 | Low | 60.8 | Low | 204 Ų | 204 | 146.8 Ų | 146.8 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -77.1 | 103.7 | 164.4 | -67.9 | -80.9 | 0 | 0 | 0 | 108.1 | S5 L9 | S5-Y7 PolarHBondContact O-N 3.23Å; Y7-L9 PolarHBondContact O-N 2.86Å; Y7-L9 VanDerWaalsContact O-N 3.07Å | ||
| 8 | L | 60.1 | Low | 61.1 | Low | 163 Ų | 163 | 145.5 Ų | 145.5 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -67.1 | 102.2 | 165.2 | -72.5 | 168.1 | 0 | 0 | 0 | 107.5 | F6 P10 | F6-L8 PolarHBondContact O-N 3.37Å; L8-P10 WeakPolarHBondContact O-CD 3.5Å | ||
| 9 | L | 63.2 | Low | 62 | Low | 149 Ų | 149 | 141.7 Ų | 141.7 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | trans | -66.4 | 120.9 | 164.8 | -100.9 | 119.6 | 0 | 0 | 0 | 107.5 | Y7 F11 | Y7-L9 PolarHBondContact O-N 2.86Å; Y7-L9 VanDerWaalsContact O-N 3.07Å; L9-F11 PolarHBondContact O-N 3.01Å | ||
| 10 | P | 64.1 | Low | 63.2 | Low | 100 Ų | 100 | 142 Ų | 142 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | trans | -67.5 | 112.1 | 170.5 | 28.7 | -28.1 | 0 | 0 | 0 | 106.1 | L8 I12 | L8-P10 WeakPolarHBondContact O-CD 3.5Å; P10-I12 HydrophobicContact CB-CG1 4.5Å; P10-I12 PolarHBondContact O-N 3.37Å | ||
| 11 | F | 63.9 | Low | 64.5 | Low | 181 Ų | 181 | 136.9 Ų | 136.9 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | -65.8 | 90.6 | 166.2 | -110.5 | -92.8 | 0 | 0 | 0 | 106.8 | L9 F13 | L9-F11 PolarHBondContact O-N 3.01Å; F11-F13 VanDerWaalsContact C-N 3.26Å; F11-F13 HydrophobicContact CB-CD2 4.35Å; F11-F13 HydrophobicContact CB-CE2 4.37Å; F11-F13 HydrophobicContact CD1-CD2 4.5Å; F11-F13 HydrophobicContact CD1-CE2 4.08Å; F11-F13 PolarHBondContact O-N 3.43Å | ||
| 12 | I | 67 | Low | 66.5 | Low | 138 Ų | 138 | 129.2 Ų | 129.2 | 71% | 0.708 | 71% | 0.712 | S | S | * | * | trans | -70.9 | 92 | 170.7 | -58.7 | 174.8 | 0 | 0 | 0 | 105.7 | P10 S14 | P10-I12 HydrophobicContact CB-CG1 4.5Å; P10-I12 PolarHBondContact O-N 3.37Å; I12-S14 VanDerWaalsContact C-N 3.31Å; I12-S14 PolarHBondContact O-N 2.92Å | ||
| 13 | F | 63.8 | Low | 68.6 | Low | 168 Ų | 168 | 126.9 Ų | 126.9 | 74% | 0.737 | 69% | 0.686 | S | S | * | * | trans | -67.3 | 96 | 162.4 | -88.5 | -92 | 0 | 0 | 0 | 107.1 | F11 T15 | F11-F13 VanDerWaalsContact C-N 3.26Å; F11-F13 HydrophobicContact CB-CD2 4.35Å; F11-F13 HydrophobicContact CB-CE2 4.37Å; F11-F13 HydrophobicContact CD1-CD2 4.5Å; F11-F13 HydrophobicContact CD1-CE2 4.08Å; F11-F13 PolarHBondContact O-N 3.43Å; F13-T15 VanDerWaalsContact C-N 3.27Å; F13-T15 PolarHBondContact O-N 3.45Å | ||
| 14 | S | 62.5 | Low | 70.8 | Confident | 111 Ų | 111 | 119.8 Ų | 119.8 | 78% | 0.776 | 67% | 0.668 | S | S | * | * | trans | -67.7 | 95.4 | 159.5 | -96.3 | 0 | 0 | 0 | 0 | 106.9 | I12 G16 | I12-S14 VanDerWaalsContact C-N 3.31Å; I12-S14 PolarHBondContact O-N 2.92Å; S14-G16 VanDerWaalsContact C-N 3.27Å; S14-G16 PolarHBondContact O-N 3.16Å | ||
| 15 | T | 64.7 | Low | 72.6 | Confident | 114 Ų | 114 | 117.8 Ų | 117.8 | 70% | 0.699 | 65% | 0.652 | S | S | * | * | trans | -63.7 | 100.1 | 157.6 | 50 | 0 | 0 | 0 | 0 | 105.8 | F13 L17 | F13-T15 VanDerWaalsContact C-N 3.27Å; F13-T15 PolarHBondContact O-N 3.45Å; T15-L17 VanDerWaalsContact C-N 3.33Å; T15-L17 PolarHBondContact O-N 3.1Å | ||
| 16 | G | 60.9 | Low | 74.5 | Confident | 71 Ų | 71 | 117.9 Ų | 117.9 | 73% | 0.732 | 65% | 0.651 | S | S | * | * | trans | -59.3 | 99.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | S14 C18 | S14-G16 VanDerWaalsContact C-N 3.27Å; S14-G16 PolarHBondContact O-N 3.16Å; G16-C18 PolarHBondContact O-N 3.02Å; G16-C18 VanDerWaalsContact O-N 3.15Å | ||
| 17 | L | 65.6 | Low | 76.1 | Confident | 155 Ų | 155 | 115.8 Ų | 115.8 | 81% | 0.812 | 66% | 0.656 | S | S | * | * | trans | -67.8 | 108.9 | 168.1 | -121.5 | 77 | 0 | 0 | 0 | 105.7 | T15 A19 | T15-L17 VanDerWaalsContact C-N 3.33Å; T15-L17 PolarHBondContact O-N 3.1Å; L17-A19 PolarHBondContact O-N 2.96Å; L17-A19 VanDerWaalsContact O-N 3.1Å | ||
| 18 | C | 66.5 | Low | 77.8 | Confident | 123 Ų | 123 | 110.6 Ų | 110.6 | 83% | 0.831 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 119.4 | 164.9 | -66.8 | 0 | 0 | 0 | 0 | 107.3 | G16 L20 | G16-C18 PolarHBondContact O-N 3.02Å; G16-C18 VanDerWaalsContact O-N 3.15Å; C18-L20 PolarHBondContact O-N 3.21Å |
| 19 | A | 78.1 | Confident | 79.6 | Confident | 73 Ų | 73 | 105.3 Ų | 105.3 | 60% | 0.603 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 134.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | L17 H47 | L17-A19 PolarHBondContact O-N 2.96Å; L17-A19 VanDerWaalsContact O-N 3.1Å; A19-H47 PolarHBondContact O-CE1 3.31Å; A19-H47 PolarHBondContact O-NE2 3.36Å |
| 20 | L | 85.3 | Confident | 81.1 | Confident | 147 Ų | 147 | 103.7 Ų | 103.7 | 77% | 0.77 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 152.1 | 170.3 | -69 | 172.8 | 0 | 0 | 0 | 109.8 | C18 V22 | C18-L20 PolarHBondContact O-N 3.21Å; L20-V22 PolarHBondContact O-N 2.66Å |
| 21 | P | 90.5 | Very high | 82.6 | Confident | 35 Ų | 35 | 101 Ų | 101 | 23% | 0.227 | 62% | 0.617 | C | S | . | * | P | Polyproline II helix | trans | -60 | 129.3 | 172.8 | 25.2 | -33 | 0 | 0 | 0 | 110.1 | H47 Y50 | P21-H47 WeakPolarHBondContact CA-ND1 3.09Å; P21-H47 HydrophobicContact CB-CB 4.15Å; P21-Y50 HydrophobicContact CB-CD2 4.21Å; P21-Y50 HydrophobicContact CB-CE2 4.26Å; P21-Y50 HydrophobicContact CG-CD2 4.46Å; P21-Y50 HydrophobicContact CG-CE2 4.23Å |
| 22 | V | 94.7 | Very high | 84.2 | Confident | 90 Ų | 90 | 99.2 Ų | 99.2 | 55% | 0.545 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -102.6 | 129.3 | 172.6 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | L20 L43 S44 | L20-V22 PolarHBondContact O-N 2.66Å; V22-L43 CarbonylContact O-C 3.51Å; V22-L43 WeakPolarHBondContact O-CA 3.22Å; V22-S44 PolarHBondContact N-OG 3.46Å; V22-S44 PolarHBondContact O-N 3.24Å |
| 23 | L | 96.6 | Very high | 85.6 | Confident | 51 Ų | 51 | 98.7 Ų | 98.7 | 27% | 0.267 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.9 | 131.7 | 176.4 | -55.8 | -179.4 | 0 | 0 | 0 | 109.5 | T42 L43 I52 C111 | L23-T42 WeakPolarHBondContact CA-O 3.23Å; L23-L43 HydrophobicContact CD2-CB 4.4Å; L23-L43 HydrophobicContact CD2-CD2 4.18Å; L23-L43 HydrophobicContact CD2-CG 3.71Å; L23-I52 HydrophobicContact CD1-CD1 4.03Å; L23-I52 HydrophobicContact CD2-CD1 3.58Å; L23-I52 HydrophobicContact CG-CD1 4.49Å; L23-C111 WeakPolarHBondContact CD1-O 3.47Å |
| 24 | T | 97.6 | Very high | 87.2 | Confident | 85 Ų | 85 | 92.6 Ų | 92.6 | 52% | 0.521 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.2 | 131.1 | 177.6 | -55.2 | 0 | 0 | 0 | 0 | 110.2 | C41 T42 | T24-C41 WeakPolarHBondContact O-CA 3.2Å; T24-T42 PolarHBondContact N-O 3.23Å; T24-T42 PolarHBondContact O-N 3.26Å |
| 25 | Q | 98.1 | Very high | 88.9 | Confident | 62 Ų | 62 | 89.1 Ų | 89.1 | 29% | 0.29 | 58% | 0.575 | S | S | . | * | trans | -124.1 | 147.4 | 174.2 | -66.9 | -179.5 | -110.6 | 0 | 0 | 109.9 | C41 Y109 C111 | Q25-C41 HydrophobicContact CG-CB 4.24Å; Q25-Y109 PolarHBondContact NE2-O 2.86Å; Q25-C111 VanDerWaalsContact CG-SG 3.53Å; Q25-C111 PolarHBondContact OE1-SG 3.29Å | ||
| 26 | P | 97.9 | Very high | 90.5 | Very high | 75 Ų | 75 | 87.6 Ų | 87.6 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | trans | -56.9 | 144.1 | 164.7 | -21.9 | 33.5 | 0 | 0 | 0 | 110.5 | S28 T40 | P26-S28 PolarHBondContact O-N 3.02Å; P26-T40 VanDerWaalsContact CD-O 3.29Å; P26-T40 WeakPolarHBondContact CD-O 3.29Å | ||
| 27 | P | 97.1 | Very high | 92.2 | Very high | 137 Ų | 137 | 85.3 Ų | 85.3 | 89% | 0.89 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -67.6 | -23.1 | -176.8 | 27.8 | -35.8 | 0 | 0 | 0 | 113 | ||
| 28 | S | 96.8 | Very high | 93.7 | Very high | 95 Ų | 95 | 83.4 Ų | 83.4 | 66% | 0.664 | 53% | 0.525 | S | S | * | . | trans | -157.6 | 159.2 | 177 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | P26 | P26-S28 PolarHBondContact O-N 3.02Š| ||
| 29 | A | 96 | Very high | 95.3 | Very high | 51 Ų | 51 | 78.6 Ų | 78.6 | 42% | 0.421 | 49% | 0.491 | S | S | . | . | trans | -143.9 | 148.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | I37 L39 | A29-I37 HydrophobicContact CB-CD1 3.82Å; A29-I37 HydrophobicContact CB-CG1 4.45Å; A29-L39 HydrophobicContact CB-CD2 3.52Å | ||
| 30 | S | 95.9 | Very high | 96.2 | Very high | 116 Ų | 116 | 76.6 Ų | 76.6 | 81% | 0.811 | 47% | 0.471 | S | S | * | . | trans | -148.3 | 145.6 | -178.1 | -52.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 31 | A | 96.3 | Very high | 96.8 | Very high | 44 Ų | 44 | 69.6 Ų | 69.6 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | trans | -152.8 | 165.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A35 I37 L101 | A31-A35 HydrophobicContact CB-CB 4.34Å; A31-I37 HydrophobicContact CB-CB 3.89Å; A31-I37 HydrophobicContact CB-CD1 4.05Å; A31-I37 HydrophobicContact CB-CG1 4.26Å; A31-L101 HydrophobicContact CB-CD2 4.01Å | ||
| 32 | L | 96.9 | Very high | 97.2 | Very high | 143 Ų | 143 | 70.3 Ų | 70.3 | 75% | 0.749 | 44% | 0.438 | S | S | * | . | trans | -72.6 | 150.1 | 175.5 | -64.7 | 171.9 | 0 | 0 | 0 | 110.8 | G34 A35 | L32-G34 PolarHBondContact O-N 2.97Å; L32-A35 HydrophobicContact CB-CB 4.4Å; L32-A35 WeakPolarHBondContact O-CB 3.31Å; L32-A35 PolarHBondContact O-N 3.03Å | ||
| 33 | L | 96.9 | Very high | 97.3 | Very high | 126 Ų | 126 | 66.2 Ų | 66.2 | 66% | 0.66 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 136.8 | 170.4 | -64.2 | 178.6 | 0 | 0 | 0 | 110.2 | A35 L101 | L33-A35 PolarHBondContact O-N 3.02Å; L33-L101 WeakPolarHBondContact CA-O 3.34Å |
| 34 | G | 97.1 | Very high | 97.2 | Very high | 41 Ų | 41 | 65.4 Ų | 65.4 | 42% | 0.423 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -13.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L32 N100 L101 | L32-G34 PolarHBondContact O-N 2.97Å; G34-N100 WeakPolarHBondContact CA-OD1 3.44Å; G34-L101 PolarHBondContact N-O 2.86Å |
| 35 | A | 97.7 | Very high | 96.9 | Very high | 37 Ų | 37 | 65.7 Ų | 65.7 | 31% | 0.306 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -75.3 | 172.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A31 L32 L33 N100 L101 | A31-A35 HydrophobicContact CB-CB 4.34Å; L32-A35 HydrophobicContact CB-CB 4.4Å; L32-A35 WeakPolarHBondContact O-CB 3.31Å; L32-A35 PolarHBondContact O-N 3.03Å; L33-A35 PolarHBondContact O-N 3.02Å; A35-N100 PolarHBondContact O-N 3.12Å; A35-L101 WeakPolarHBondContact O-CB 3.44Å; A35-L101 PolarHBondContact O-N 2.9Å |
| 36 | S | 97.1 | Very high | 96.6 | Very high | 82 Ų | 82 | 70.7 Ų | 70.7 | 57% | 0.573 | 44% | 0.441 | S | S | * | . | trans | -97.4 | 140 | 167.7 | -58.6 | 0 | 0 | 0 | 0 | 110.1 | F98 | S36-F98 WeakPolarHBondContact CA-O 3.16Š| ||
| 37 | I | 97.7 | Very high | 96.4 | Very high | 24 Ų | 24 | 68.1 Ų | 68.1 | 12% | 0.123 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.3 | 174.3 | -174.3 | 175 | 0 | 0 | 0 | 109.8 | A29 A31 L39 T97 F98 L101 | A29-I37 HydrophobicContact CB-CD1 3.82Å; A29-I37 HydrophobicContact CB-CG1 4.45Å; A31-I37 HydrophobicContact CB-CB 3.89Å; A31-I37 HydrophobicContact CB-CD1 4.05Å; A31-I37 HydrophobicContact CB-CG1 4.26Å; I37-L39 HydrophobicContact CD1-CD2 4.48Å; I37-T97 WeakPolarHBondContact O-CA 3.47Å; I37-F98 HydrophobicContact CB-CD2 4.31Å; I37-F98 HydrophobicContact CG2-CD2 3.25Å; I37-F98 HydrophobicContact CG2-CE2 3.64Å; I37-F98 HydrophobicContact CG2-CG 4.28Å; I37-F98 PolarHBondContact N-O 3Å; I37-F98 VanDerWaalsContact O-CD2 3.23Å; I37-F98 WeakPolarHBondContact O-CD2 3.32Å; I37-F98 PolarHBondContact O-N 3.13Å; I37-L101 HydrophobicContact CG2-CD1 3.8Å; I37-L101 HydrophobicContact CG2-CD2 4.14Å; I37-L101 HydrophobicContact CG2-CG 4.41Å |
| 38 | K | 97.8 | Very high | 96.2 | Very high | 115 Ų | 115 | 63.6 Ų | 63.6 | 50% | 0.5 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 114.8 | -178.3 | -176.4 | 177.7 | 69.9 | 167 | 0 | 109.2 | Y95 L96 | K38-Y95 HydrophobicContact CD-CD1 3.88Å; K38-Y95 HydrophobicContact CD-CG 3.91Å; K38-Y95 HydrophobicContact CG-CD1 4.11Å; K38-Y95 HydrophobicContact CG-CG 4.25Å; K38-L96 CarbonylContact C-O 3.57Å; K38-L96 WeakPolarHBondContact CA-O 3.34Å |
| 39 | L | 98.4 | Very high | 96 | Very high | 22 Ų | 22 | 63.5 Ų | 63.5 | 12% | 0.115 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 149.9 | 169.8 | -51.6 | -173.2 | 0 | 0 | 0 | 109.8 | A29 I37 W54 Y95 L96 F98 Y109 | A29-L39 HydrophobicContact CB-CD2 3.52Å; I37-L39 HydrophobicContact CD1-CD2 4.48Å; L39-W54 HydrophobicContact CB-CH2 3.82Å; L39-W54 HydrophobicContact CB-CZ3 4.01Å; L39-W54 HydrophobicContact CD1-CZ3 4.26Å; L39-Y95 WeakPolarHBondContact O-CA 3.01Å; L39-L96 HydrophobicContact CB-CB 4.39Å; L39-L96 PolarHBondContact N-O 3.25Å; L39-L96 PolarHBondContact O-N 2.95Å; L39-F98 HydrophobicContact CD1-CE2 4.13Å; L39-F98 HydrophobicContact CD1-CZ 3.61Å; L39-F98 HydrophobicContact CD2-CE2 4.33Å; L39-F98 HydrophobicContact CG-CE2 3.71Å; L39-F98 HydrophobicContact CG-CZ 3.71Å; L39-Y109 VanDerWaalsContact CD1-CB 3.41Å; L39-Y109 HydrophobicContact CD1-CD1 3.98Å; L39-Y109 HydrophobicContact CD1-CD2 3.79Å; L39-Y109 HydrophobicContact CD1-CG 3.45Å; L39-Y109 VanDerWaalsContact CD1-CG 3.45Å |
| 40 | T | 98.3 | Very high | 96 | Very high | 31 Ų | 31 | 65 Ų | 65 | 19% | 0.19 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136.3 | -179.3 | -54.4 | 0 | 0 | 0 | 0 | 109.8 | P26 D93 Y95 | P26-T40 VanDerWaalsContact CD-O 3.29Å; P26-T40 WeakPolarHBondContact CD-O 3.29Å; T40-D93 HydrophobicContact CG2-CB 4.25Å; T40-Y95 HydrophobicContact CG2-CD1 3.89Å; T40-Y95 HydrophobicContact CG2-CE1 3.55Å; T40-Y95 WeakPolarHBondContact OG1-CD1 3.28Å; T40-Y95 WeakPolarHBondContact OG1-CE1 3.33Å |
| 41 | C | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 116.8 | 167 | 178 | 0 | 0 | 0 | 0 | 108 | T24 Q25 W54 D93 R94 C111 | T24-C41 WeakPolarHBondContact O-CA 3.2Å; Q25-C41 HydrophobicContact CG-CB 4.24Å; C41-W54 HydrophobicContact CB-CH2 3.75Å; C41-W54 HydrophobicContact CB-CZ2 3.67Å; C41-D93 WeakPolarHBondContact O-CA 2.99Å; C41-R94 PolarHBondContact N-O 3.2Å; C41-R94 PolarHBondContact O-N 2.86Å; C41-C111 HydrophobicContact CB-CB 3.48Å; C41-C111 VanDerWaalsContact CB-CB 3.48Å; C41-C111 WeakPolarHBondContact CB-SG 3.46Å; C41-C111 WeakPolarHBondContact SG-CB 3.36Å; C41-C111 CovalentContact SG-SG 2.03Å; C41-C111 PolarHBondContact SG-SG 3.49Å |
| 42 | T | 97.9 | Very high | 96 | Very high | 50 Ų | 50 | 59.1 Ų | 59.1 | 31% | 0.307 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.5 | -178.3 | -58.4 | 0 | 0 | 0 | 0 | 109.5 | L23 T24 D93 | L23-T42 WeakPolarHBondContact CA-O 3.23Å; T24-T42 PolarHBondContact N-O 3.23Å; T24-T42 PolarHBondContact O-N 3.26Å; T42-D93 WeakPolarHBondContact CB-OD1 3.49Å; T42-D93 WeakPolarHBondContact CG2-OD1 2.99Å; T42-D93 PolarHBondContact OG1-OD1 2.9Å |
| 43 | L | 96.7 | Very high | 96.1 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 150.6 | 172 | -62.4 | 93 | 0 | 0 | 0 | 110.2 | V22 L23 H47 I52 A92 R94 | V22-L43 CarbonylContact O-C 3.51Å; V22-L43 WeakPolarHBondContact O-CA 3.22Å; L23-L43 HydrophobicContact CD2-CB 4.4Å; L23-L43 HydrophobicContact CD2-CD2 4.18Å; L23-L43 HydrophobicContact CD2-CG 3.71Å; L43-H47 VanDerWaalsContact CD2-O 3.27Å; L43-H47 WeakPolarHBondContact CD2-O 3.43Å; L43-I52 HydrophobicContact CD1-CD1 4.17Å; L43-I52 HydrophobicContact CD1-CG1 3.74Å; L43-I52 HydrophobicContact CD2-CD1 3.84Å; L43-I52 HydrophobicContact CD2-CG1 4.1Å; L43-I52 HydrophobicContact CG-CD1 4.05Å; L43-I52 HydrophobicContact CG-CG1 4.18Å; L43-A92 HydrophobicContact CB-CB 4.5Å; L43-A92 WeakPolarHBondContact CB-O 3.36Å; L43-A92 WeakPolarHBondContact CD1-O 3.48Å; L43-A92 PolarHBondContact N-O 2.65Å; L43-A92 WeakPolarHBondContact O-CB 3.3Å; L43-R94 HydrophobicContact CD1-CG 3.67Å |
| 44 | S | 94.7 | Very high | 96.1 | Very high | 33 Ų | 33 | 46.8 Ų | 46.8 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -54 | 138.9 | 161.3 | 53.4 | 0 | 0 | 0 | 0 | 110.6 | V22 E46 H47 | V22-S44 PolarHBondContact N-OG 3.46Å; V22-S44 PolarHBondContact O-N 3.24Å; S44-E46 VanDerWaalsContact C-N 3.27Å; S44-E46 PolarHBondContact O-N 3.43Å; S44-E46 VanDerWaalsContact O-N 3.13Å; S44-H47 WeakPolarHBondContact O-CA 3.36Å; S44-H47 PolarHBondContact O-N 2.98Å; S44-H47 PolarHBondContact OG-ND1 3.42Å |
| 45 | S | 92 | Very high | 96.1 | Very high | 92 Ų | 92 | 47.7 Ų | 47.7 | 64% | 0.643 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -52.2 | -40 | -172.3 | -54.9 | 0 | 0 | 0 | 0 | 114.7 | H47 S48 | S45-H47 PolarHBondContact O-N 3.37Å; S45-H47 VanDerWaalsContact O-N 3.12Å; S45-S48 VanDerWaalsContact O-CB 3.3Å; S45-S48 WeakPolarHBondContact O-CB 2.82Å; S45-S48 PolarHBondContact O-N 3.49Å; S45-S48 VanDerWaalsContact O-N 3.13Å; S45-S48 PolarHBondContact O-OG 2.74Å |
| 46 | E | 91.5 | Very high | 96.1 | Very high | 167 Ų | 167 | 46.3 Ų | 46.3 | 78% | 0.78 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -60.2 | -21.2 | 178.3 | -57 | -54.5 | 137.5 | 0 | 0 | 113.2 | S44 | S44-E46 VanDerWaalsContact C-N 3.27Å; S44-E46 PolarHBondContact O-N 3.43Å; S44-E46 VanDerWaalsContact O-N 3.13Å |
| 47 | H | 92.2 | Very high | 96.1 | Very high | 21 Ų | 21 | 45.2 Ų | 45.2 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -113 | 16.2 | -176.9 | -57.3 | 106.8 | 0 | 0 | 0 | 112.5 | A19 P21 L43 S44 S45 T49 Y50 | A19-H47 PolarHBondContact O-CE1 3.31Å; A19-H47 PolarHBondContact O-NE2 3.36Å; P21-H47 WeakPolarHBondContact CA-ND1 3.09Å; P21-H47 HydrophobicContact CB-CB 4.15Å; L43-H47 VanDerWaalsContact CD2-O 3.27Å; L43-H47 WeakPolarHBondContact CD2-O 3.43Å; S44-H47 WeakPolarHBondContact O-CA 3.36Å; S44-H47 PolarHBondContact O-N 2.98Å; S44-H47 PolarHBondContact OG-ND1 3.42Å; S45-H47 PolarHBondContact O-N 3.37Å; S45-H47 VanDerWaalsContact O-N 3.12Å; H47-T49 PolarHBondContact O-N 2.79Å; H47-Y50 HydrophobicContact CB-CD1 4.44Å; H47-Y50 HydrophobicContact CB-CD2 3.77Å; H47-Y50 HydrophobicContact CB-CE2 4.02Å; H47-Y50 HydrophobicContact CB-CG 4.05Å; H47-Y50 AromaticContact CD2-CE2 3.35Å; H47-Y50 WeakPolarHBondContact CD2-CE2 3.47Å; H47-Y50 AromaticContact CD2-CZ 3.39Å; H47-Y50 PolarHBondContact CD2-OH 2.67Å; H47-Y50 AromaticContact CG-CE2 3.91Å; H47-Y50 WeakPolarHBondContact O-CB 3.4Å; H47-Y50 PolarHBondContact O-N 2.81Å |
| 48 | S | 93.3 | Very high | 95.9 | Very high | 42 Ų | 42 | 47.3 Ų | 47.3 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -13.4 | -176.4 | 56.7 | 0 | 0 | 0 | 0 | 115 | S45 R94 | S45-S48 VanDerWaalsContact O-CB 3.3Å; S45-S48 WeakPolarHBondContact O-CB 2.82Å; S45-S48 PolarHBondContact O-N 3.49Å; S45-S48 VanDerWaalsContact O-N 3.13Å; S45-S48 PolarHBondContact O-OG 2.74Å; S48-R94 PolarHBondContact O-NH2 2.7Å |
| 49 | T | 93.9 | Very high | 95.7 | Very high | 93 Ų | 93 | 47.8 Ų | 47.8 | 57% | 0.571 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -11.2 | 176.6 | 58.3 | 0 | 0 | 0 | 0 | 113.8 | H47 S71 | H47-T49 PolarHBondContact O-N 2.79Å; T49-S71 WeakPolarHBondContact O-CB 3.23Å; T49-S71 PolarHBondContact O-OG 3.03Å |
| 50 | Y | 94.6 | Very high | 95.6 | Very high | 83 Ų | 83 | 51.2 Ų | 51.2 | 33% | 0.325 | 30% | 0.3 | S | S | . | . | trans | -69.3 | 153.6 | -171.2 | -74.1 | 9.7 | 0 | 0 | 0 | 112.8 | P21 H47 R94 E113 | P21-Y50 HydrophobicContact CB-CD2 4.21Å; P21-Y50 HydrophobicContact CB-CE2 4.26Å; P21-Y50 HydrophobicContact CG-CD2 4.46Å; P21-Y50 HydrophobicContact CG-CE2 4.23Å; H47-Y50 HydrophobicContact CB-CD1 4.44Å; H47-Y50 HydrophobicContact CB-CD2 3.77Å; H47-Y50 HydrophobicContact CB-CE2 4.02Å; H47-Y50 HydrophobicContact CB-CG 4.05Å; H47-Y50 AromaticContact CD2-CE2 3.35Å; H47-Y50 WeakPolarHBondContact CD2-CE2 3.47Å; H47-Y50 AromaticContact CD2-CZ 3.39Å; H47-Y50 PolarHBondContact CD2-OH 2.67Å; H47-Y50 AromaticContact CG-CE2 3.91Å; H47-Y50 WeakPolarHBondContact O-CB 3.4Å; H47-Y50 PolarHBondContact O-N 2.81Å; Y50-R94 PolarHBondContact O-NE 3.5Å; Y50-R94 PolarHBondContact O-NH2 2.94Å; Y50-E113 HydrophobicContact CD2-CG 3.69Å; Y50-E113 HydrophobicContact CE2-CG 4.42Å; Y50-E113 HydrophobicContact CG-CG 4.37Å | ||
| 51 | T | 96.1 | Very high | 95.4 | Very high | 36 Ų | 36 | 57.6 Ų | 57.6 | 22% | 0.221 | 32% | 0.321 | C | S | . | . | trans | -86.9 | 135.7 | 175.1 | -62.3 | 0 | 0 | 0 | 0 | 109 | K68 K70 S114 | T51-K68 HydrophobicContact CG2-CB 4.02Å; T51-K70 HydrophobicContact CG2-CG 4.24Å; T51-S114 PolarHBondContact O-N 2.95Å | ||
| 52 | I | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 142.1 | 175.9 | -68.6 | -59.9 | 0 | 0 | 0 | 110.1 | L23 L43 K68 V69 R94 C111 G112 | L23-I52 HydrophobicContact CD1-CD1 4.03Å; L23-I52 HydrophobicContact CD2-CD1 3.58Å; L23-I52 HydrophobicContact CG-CD1 4.49Å; L43-I52 HydrophobicContact CD1-CD1 4.17Å; L43-I52 HydrophobicContact CD1-CG1 3.74Å; L43-I52 HydrophobicContact CD2-CD1 3.84Å; L43-I52 HydrophobicContact CD2-CG1 4.1Å; L43-I52 HydrophobicContact CG-CD1 4.05Å; L43-I52 HydrophobicContact CG-CG1 4.18Å; I52-K68 CarbonylContact O-C 3.54Å; I52-K68 VanDerWaalsContact O-CA 3.29Å; I52-K68 WeakPolarHBondContact O-CA 3.3Å; I52-V69 PolarHBondContact N-O 3.08Å; I52-V69 PolarHBondContact O-N 2.82Å; I52-R94 HydrophobicContact CB-CB 4.02Å; I52-R94 HydrophobicContact CB-CG 3.78Å; I52-R94 HydrophobicContact CG1-CB 4.09Å; I52-R94 HydrophobicContact CG1-CG 3.53Å; I52-R94 HydrophobicContact CG2-CB 4.31Å; I52-C111 HydrophobicContact CG2-CB 3.63Å; I52-G112 CarbonylContact C-O 3.58Å; I52-G112 VanDerWaalsContact CA-O 3.3Å; I52-G112 WeakPolarHBondContact CA-O 3.45Å; I52-G112 WeakPolarHBondContact CD1-O 3.43Å |
| 53 | E | 97.9 | Very high | 95.1 | Very high | 10 Ų | 10 | 63.1 Ų | 63.1 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 140.8 | 170.5 | -66.6 | 175.9 | 176.5 | 0 | 0 | 110 | Y55 Y65 M67 K68 C111 G112 S114 | E53-Y55 HydrophobicContact CB-CD2 4.37Å; E53-Y55 HydrophobicContact CB-CE2 3.55Å; E53-Y55 PolarHBondContact OE2-OH 3.16Å; E53-Y65 HydrophobicContact CB-CE2 4.06Å; E53-Y65 HydrophobicContact CG-CE2 3.93Å; E53-M67 CarbonylContact C-O 3.51Å; E53-M67 WeakPolarHBondContact CA-O 3.4Å; E53-K68 HydrophobicContact CG-CB 4.06Å; E53-C111 CarbonylContact O-C 3.57Å; E53-C111 VanDerWaalsContact O-CA 3.28Å; E53-C111 WeakPolarHBondContact O-CA 3.35Å; E53-G112 PolarHBondContact N-O 2.91Å; E53-G112 PolarHBondContact O-N 3.1Å; E53-S114 VanDerWaalsContact OE1-CB 3.29Å; E53-S114 WeakPolarHBondContact OE1-CB 3.42Å; E53-S114 PolarHBondContact OE1-OG 2.97Å |
| 54 | W | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 136.3 | 176.6 | -73.6 | 94.4 | 0 | 0 | 0 | 110.2 | L39 C41 I66 M67 L96 C111 | L39-W54 HydrophobicContact CB-CH2 3.82Å; L39-W54 HydrophobicContact CB-CZ3 4.01Å; L39-W54 HydrophobicContact CD1-CZ3 4.26Å; C41-W54 HydrophobicContact CB-CH2 3.75Å; C41-W54 HydrophobicContact CB-CZ2 3.67Å; W54-I66 HydrophobicContact CB-CB 4.16Å; W54-I66 HydrophobicContact CB-CD1 4.31Å; W54-I66 WeakPolarHBondContact O-CB 3.48Å; W54-I66 PolarHBondContact O-N 2.92Å; W54-M67 HydrophobicContact CB-CG 4.31Å; W54-M67 PolarHBondContact N-O 3.35Å; W54-L96 HydrophobicContact CB-CD2 4.06Å; W54-L96 HydrophobicContact CD2-CB 3.68Å; W54-L96 HydrophobicContact CD2-CD2 3.92Å; W54-L96 HydrophobicContact CD2-CG 4.38Å; W54-L96 HydrophobicContact CE3-CB 4.11Å; W54-L96 HydrophobicContact CE3-CD2 3.93Å; W54-L96 HydrophobicContact CG-CB 4.06Å; W54-L96 HydrophobicContact CG-CD1 4.49Å; W54-L96 HydrophobicContact CG-CD2 3.99Å; W54-L96 HydrophobicContact CG-CG 4.43Å; W54-L96 HydrophobicContact CH2-CB 4.31Å; W54-L96 HydrophobicContact CZ2-CB 3.91Å; W54-L96 HydrophobicContact CZ3-CB 4.4Å; W54-C111 HydrophobicContact CD2-CB 4.38Å; W54-C111 HydrophobicContact CE3-CB 4.22Å; W54-C111 HydrophobicContact CH2-CB 4.32Å; W54-C111 HydrophobicContact CZ2-CB 4.46Å; W54-C111 HydrophobicContact CZ3-CB 4.19Å |
| 55 | Y | 97.5 | Very high | 95.2 | Very high | 59 Ų | 59 | 68.9 Ų | 68.9 | 23% | 0.231 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.4 | 178.9 | -65.7 | -92.2 | 0 | 0 | 0 | 110.2 | E53 P63 Q64 Y65 Y109 H110 | E53-Y55 HydrophobicContact CB-CD2 4.37Å; E53-Y55 HydrophobicContact CB-CE2 3.55Å; E53-Y55 PolarHBondContact OE2-OH 3.16Å; Y55-P63 HydrophobicContact CD1-CB 4.33Å; Y55-Q64 CarbonylContact C-O 3.57Å; Y55-Q64 VanDerWaalsContact CA-O 3.26Å; Y55-Q64 WeakPolarHBondContact CA-O 3.2Å; Y55-Y65 AromaticContact CE1-CD2 3.98Å; Y55-Y65 HydrophobicContact CE1-CD2 3.98Å; Y55-Y65 AromaticContact CZ-CD2 3.97Å; Y55-Y109 VanDerWaalsContact O-CA 3.32Å; Y55-Y109 WeakPolarHBondContact O-CA 3.39Å; Y55-H110 PolarHBondContact N-O 2.82Å; Y55-H110 PolarHBondContact O-N 2.87Å |
| 56 | Q | 96.9 | Very high | 95.4 | Very high | 9 Ų | 9 | 64.6 Ų | 64.6 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 129.1 | 171.8 | -167.5 | -177.7 | 46.5 | 0 | 0 | 109.2 | P63 Q64 I66 A107 Y109 | Q56-P63 CarbonylContact O-C 3.6Å; Q56-P63 WeakPolarHBondContact O-CA 3.42Å; Q56-Q64 PolarHBondContact N-O 3.02Å; Q56-Q64 PolarHBondContact O-N 3.1Å; Q56-I66 HydrophobicContact CB-CD1 3.76Å; Q56-I66 HydrophobicContact CB-CG1 3.92Å; Q56-A107 HydrophobicContact CG-CB 3.45Å; Q56-A107 VanDerWaalsContact CG-CB 3.45Å; Q56-Y109 HydrophobicContact CB-CD1 4.46Å; Q56-Y109 HydrophobicContact CB-CE1 4.18Å; Q56-Y109 HydrophobicContact CG-CD1 4.44Å; Q56-Y109 HydrophobicContact CG-CE1 3.9Å; Q56-Y109 PolarHBondContact NE2-OH 3.38Å |
| 57 | Q | 96.2 | Very high | 95.7 | Very high | 58 Ų | 58 | 56.6 Ų | 56.6 | 27% | 0.271 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 112.9 | 173.6 | -174.2 | 174 | 13.3 | 0 | 0 | 110.4 | R61 P63 A107 E108 H110 | Q57-R61 PolarHBondContact NE2-O 2.87Å; Q57-P63 HydrophobicContact CB-CG 4.49Å; Q57-P63 HydrophobicContact CG-CG 4.44Å; Q57-A107 WeakPolarHBondContact O-CB 3.47Å; Q57-E108 HydrophobicContact CB-CB 4.28Å; Q57-E108 PolarHBondContact N-O 3.34Å; Q57-E108 PolarHBondContact O-N 2.84Å; Q57-H110 PolarHBondContact OE1-NE2 3.41Å |
| 58 | R | 94.8 | Very high | 96 | Very high | 69 Ų | 69 | 58.7 Ų | 58.7 | 26% | 0.26 | 32% | 0.322 | S | S | . | . | trans | -87.7 | 154.4 | 172.8 | -68.6 | -177.8 | 177.7 | 119.6 | -7.8 | 110.4 | G60 R61 D104 A107 | R58-G60 PolarHBondContact O-N 2.62Å; R58-R61 HydrophobicContact CB-CB 4.37Å; R58-R61 HydrophobicContact CB-CG 4.41Å; R58-R61 PolarHBondContact O-N 3.41Å; R58-D104 PolarHBondContact NE-O 3.46Å; R58-D104 PolarHBondContact NH2-O 3.45Å; R58-A107 HydrophobicContact CG-CB 4.1Å | ||
| 59 | P | 94.2 | Very high | 96.2 | Very high | 124 Ų | 124 | 56.7 Ų | 56.7 | 81% | 0.805 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 125.3 | 177.6 | -27.8 | 35.3 | 0 | 0 | 0 | 112.3 | R61 | P59-R61 VanDerWaalsContact C-N 3.27Å; P59-R61 PolarHBondContact O-N 2.89Å |
| 60 | G | 94.5 | Very high | 96.4 | Very high | 94 Ų | 94 | 56.6 Ų | 56.6 | 97% | 0.969 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 10.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R58 | R58-G60 PolarHBondContact O-N 2.62Š|
| 61 | R | 94.5 | Very high | 96.5 | Very high | 165 Ų | 165 | 55.1 Ų | 55.1 | 62% | 0.623 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -114.9 | 155.3 | 175.9 | -63.4 | -166.9 | 173.7 | -172.4 | -0.1 | 111.6 | Q57 R58 P59 | Q57-R61 PolarHBondContact NE2-O 2.87Å; R58-R61 HydrophobicContact CB-CB 4.37Å; R58-R61 HydrophobicContact CB-CG 4.41Å; R58-R61 PolarHBondContact O-N 3.41Å; P59-R61 VanDerWaalsContact C-N 3.27Å; P59-R61 PolarHBondContact O-N 2.89Å |
| 62 | S | 94.7 | Very high | 96.5 | Very high | 97 Ų | 97 | 59.1 Ų | 59.1 | 68% | 0.678 | 32% | 0.322 | S | S | * | . | trans | -67.4 | 152.7 | 168.2 | 55.9 | 0 | 0 | 0 | 0 | 110.5 | Q64 | S62-Q64 PolarHBondContact O-N 2.77Š| ||
| 63 | P | 95.6 | Very high | 96.5 | Very high | 69 Ų | 69 | 60.1 Ų | 60.1 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | trans | -53.5 | 133.2 | 170.2 | -25.4 | 34.7 | 0 | 0 | 0 | 111.7 | Y55 Q56 Q57 | Y55-P63 HydrophobicContact CD1-CB 4.33Å; Q56-P63 CarbonylContact O-C 3.6Å; Q56-P63 WeakPolarHBondContact O-CA 3.42Å; Q57-P63 HydrophobicContact CB-CG 4.49Å; Q57-P63 HydrophobicContact CG-CG 4.44Å | ||
| 64 | Q | 96.1 | Very high | 96.4 | Very high | 88 Ų | 88 | 62 Ų | 62 | 41% | 0.411 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.3 | 174.5 | 179.7 | 177.7 | 20.4 | 0 | 0 | 109.1 | Y55 Q56 S62 I66 | Y55-Q64 CarbonylContact C-O 3.57Å; Y55-Q64 VanDerWaalsContact CA-O 3.26Å; Y55-Q64 WeakPolarHBondContact CA-O 3.2Å; Q56-Q64 PolarHBondContact N-O 3.02Å; Q56-Q64 PolarHBondContact O-N 3.1Å; S62-Q64 PolarHBondContact O-N 2.77Å; Q64-I66 PolarHBondContact O-N 2.92Å |
| 65 | Y | 97.1 | Very high | 96.4 | Very high | 71 Ų | 71 | 65.2 Ų | 65.2 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 131.8 | 173.8 | 177.7 | -98.8 | 0 | 0 | 0 | 111.6 | E53 Y55 M67 K68 | E53-Y65 HydrophobicContact CB-CE2 4.06Å; E53-Y65 HydrophobicContact CG-CE2 3.93Å; Y55-Y65 AromaticContact CE1-CD2 3.98Å; Y55-Y65 HydrophobicContact CE1-CD2 3.98Å; Y55-Y65 AromaticContact CZ-CD2 3.97Å; Y65-M67 VanDerWaalsContact CZ-C 3.47Å; Y65-M67 VanDerWaalsContact OH-C 3.29Å; Y65-K68 WeakPolarHBondContact OH-CB 3.46Å; Y65-K68 WeakPolarHBondContact OH-CG 3.46Å; Y65-K68 PolarHBondContact OH-N 2.79Å |
| 66 | I | 97.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -58.3 | 176.3 | -54.8 | 178 | 0 | 0 | 0 | 110.3 | W54 Q56 Q64 K77 G78 I81 F85 L96 Y109 | W54-I66 HydrophobicContact CB-CB 4.16Å; W54-I66 HydrophobicContact CB-CD1 4.31Å; W54-I66 WeakPolarHBondContact O-CB 3.48Å; W54-I66 PolarHBondContact O-N 2.92Å; Q56-I66 HydrophobicContact CB-CD1 3.76Å; Q56-I66 HydrophobicContact CB-CG1 3.92Å; Q64-I66 PolarHBondContact O-N 2.92Å; I66-K77 CarbonylContact O-C 3.48Å; I66-K77 WeakPolarHBondContact O-CA 3.43Å; I66-G78 PolarHBondContact O-N 2.71Å; I66-I81 HydrophobicContact CB-CD1 4.49Å; I66-I81 HydrophobicContact CG2-CD1 4.38Å; I66-I81 HydrophobicContact CG2-CG2 3.87Å; I66-I81 WeakPolarHBondContact O-CG1 3.42Å; I66-F85 HydrophobicContact CD1-CE1 4.31Å; I66-F85 HydrophobicContact CG2-CD1 3.58Å; I66-F85 HydrophobicContact CG2-CE1 4.06Å; I66-F85 HydrophobicContact CG2-CG 4.45Å; I66-L96 HydrophobicContact CD1-CD2 3.78Å; I66-L96 HydrophobicContact CG2-CD1 4.27Å; I66-Y109 HydrophobicContact CD1-CD1 3.59Å; I66-Y109 HydrophobicContact CD1-CE1 3.54Å |
| 67 | M | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | 160.8 | -174 | 63.8 | -164.9 | -52.2 | 0 | 0 | 112.6 | E53 W54 Y65 V69 H75 S76 K77 L96 | E53-M67 CarbonylContact C-O 3.51Å; E53-M67 WeakPolarHBondContact CA-O 3.4Å; W54-M67 HydrophobicContact CB-CG 4.31Å; W54-M67 PolarHBondContact N-O 3.35Å; Y65-M67 VanDerWaalsContact CZ-C 3.47Å; Y65-M67 VanDerWaalsContact OH-C 3.29Å; M67-V69 HydrophobicContact CE-CG2 4.36Å; M67-V69 HydrophobicContact CG-CG2 4.18Å; M67-H75 HydrophobicContact CE-CB 3.54Å; M67-H75 WeakPolarHBondContact CE-CD2 3.17Å; M67-S76 WeakPolarHBondContact CA-O 3.17Å; M67-S76 WeakPolarHBondContact CB-O 3.18Å; M67-K77 HydrophobicContact CE-CG 4.36Å; M67-L96 HydrophobicContact CG-CD1 4.05Å; M67-L96 HydrophobicContact SD-CD1 3.2Å; M67-L96 WeakPolarHBondContact SD-CD1 3.45Å |
| 68 | K | 97.4 | Very high | 96.4 | Very high | 64 Ų | 64 | 65.3 Ų | 65.3 | 28% | 0.278 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 142.6 | 164.9 | 63 | -175.9 | 178.8 | -172.4 | 0 | 110.7 | T51 I52 E53 Y65 H75 S76 | T51-K68 HydrophobicContact CG2-CB 4.02Å; I52-K68 CarbonylContact O-C 3.54Å; I52-K68 VanDerWaalsContact O-CA 3.29Å; I52-K68 WeakPolarHBondContact O-CA 3.3Å; E53-K68 HydrophobicContact CG-CB 4.06Å; Y65-K68 WeakPolarHBondContact OH-CB 3.46Å; Y65-K68 WeakPolarHBondContact OH-CG 3.46Å; Y65-K68 PolarHBondContact OH-N 2.79Å; K68-H75 WeakPolarHBondContact O-CA 3.47Å; K68-H75 WeakPolarHBondContact O-CB 2.96Å; K68-S76 WeakPolarHBondContact CE-OG 3.34Å; K68-S76 WeakPolarHBondContact CG-OG 3.46Å; K68-S76 PolarHBondContact N-O 3.35Å; K68-S76 PolarHBondContact O-N 2.97Å; K68-S76 VanDerWaalsContact O-N 3.1Å |
| 69 | V | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 119.2 | 179.1 | -171.3 | 0 | 0 | 0 | 0 | 108.9 | I52 M67 H75 S88 | I52-V69 PolarHBondContact N-O 3.08Å; I52-V69 PolarHBondContact O-N 2.82Å; M67-V69 HydrophobicContact CE-CG2 4.36Å; M67-V69 HydrophobicContact CG-CG2 4.18Å; V69-H75 HydrophobicContact CG2-CB 4.16Å; V69-S88 WeakPolarHBondContact CG1-O 3.29Å |
| 70 | K | 97.4 | Very high | 96.5 | Very high | 91 Ų | 91 | 67.6 Ų | 67.6 | 40% | 0.396 | 40% | 0.401 | S | S | . | . | trans | -85 | 167.3 | 178.9 | -60.9 | -168.5 | -169.3 | 172.6 | 0 | 111.4 | T51 D72 G73 S74 S89 | T51-K70 HydrophobicContact CG2-CG 4.24Å; K70-D72 VanDerWaalsContact C-N 3.27Å; K70-D72 WeakPolarHBondContact CB-OD1 3.33Å; K70-D72 PolarHBondContact O-N 3.33Å; K70-G73 PolarHBondContact O-N 3.47Å; K70-S74 WeakPolarHBondContact CD-OG 3.11Å; K70-S74 PolarHBondContact N-O 3.19Å; K70-S89 WeakPolarHBondContact O-CB 3.35Å | ||
| 71 | S | 96.7 | Very high | 96.5 | Very high | 53 Ų | 53 | 64.1 Ų | 64.1 | 37% | 0.371 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -32.2 | 177.2 | 42.9 | 0 | 0 | 0 | 0 | 114.4 | T49 G73 S89 R94 | T49-S71 WeakPolarHBondContact O-CB 3.23Å; T49-S71 PolarHBondContact O-OG 3.03Å; S71-G73 PolarHBondContact O-N 2.82Å; S71-S89 WeakPolarHBondContact O-CB 3.29Å; S71-S89 PolarHBondContact O-OG 2.82Å; S71-R94 VanDerWaalsContact CA-CZ 3.47Å; S71-R94 VanDerWaalsContact CA-NH2 3.32Å; S71-R94 VanDerWaalsContact CB-NH2 3.3Å |
| 72 | D | 96.7 | Very high | 96.6 | Very high | 120 Ų | 120 | 58.6 Ų | 58.6 | 64% | 0.642 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -2.7 | 174.7 | 67 | 3.4 | 0 | 0 | 0 | 114.1 | K70 S74 | K70-D72 VanDerWaalsContact C-N 3.27Å; K70-D72 WeakPolarHBondContact CB-OD1 3.33Å; K70-D72 PolarHBondContact O-N 3.33Å; D72-S74 VanDerWaalsContact C-N 3.31Å; D72-S74 VanDerWaalsContact OD1-CB 3.23Å; D72-S74 WeakPolarHBondContact OD1-CB 3.15Å; D72-S74 PolarHBondContact OD1-N 2.82Å; D72-S74 PolarHBondContact OD1-OG 2.92Å; D72-S74 PolarHBondContact OD2-OG 3.08Å |
| 73 | G | 96.6 | Very high | 96.7 | Very high | 20 Ų | 20 | 60.3 Ų | 60.3 | 21% | 0.206 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 85.6 | -5.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K70 S71 | K70-G73 PolarHBondContact O-N 3.47Å; S71-G73 PolarHBondContact O-N 2.82Å |
| 74 | S | 97.4 | Very high | 96.7 | Very high | 49 Ų | 49 | 59 Ų | 59 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | trans | -65.7 | 147.6 | 170.6 | 69.6 | 0 | 0 | 0 | 0 | 110.7 | K70 D72 | K70-S74 WeakPolarHBondContact CD-OG 3.11Å; K70-S74 PolarHBondContact N-O 3.19Å; D72-S74 VanDerWaalsContact C-N 3.31Å; D72-S74 VanDerWaalsContact OD1-CB 3.23Å; D72-S74 WeakPolarHBondContact OD1-CB 3.15Å; D72-S74 PolarHBondContact OD1-N 2.82Å; D72-S74 PolarHBondContact OD1-OG 2.92Å; D72-S74 PolarHBondContact OD2-OG 3.08Å | ||
| 75 | H | 97 | Very high | 96.8 | Very high | 68 Ų | 68 | 55 Ų | 55 | 32% | 0.315 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 159.5 | -176.5 | 64 | -99.2 | 0 | 0 | 0 | 112.6 | M67 K68 V69 G87 | M67-H75 HydrophobicContact CE-CB 3.54Å; M67-H75 WeakPolarHBondContact CE-CD2 3.17Å; K68-H75 WeakPolarHBondContact O-CA 3.47Å; K68-H75 WeakPolarHBondContact O-CB 2.96Å; V69-H75 HydrophobicContact CG2-CB 4.16Å; H75-G87 PolarHBondContact CE1-N 2.94Å; H75-G87 PolarHBondContact CE1-O 2.78Å; H75-G87 PolarHBondContact ND1-N 3.06Å; H75-G87 PolarHBondContact ND1-O 2.85Å |
| 76 | S | 97 | Very high | 96.8 | Very high | 47 Ų | 47 | 56.5 Ų | 56.5 | 33% | 0.329 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 135.7 | 168.4 | 65.3 | 0 | 0 | 0 | 0 | 110.4 | M67 K68 | M67-S76 WeakPolarHBondContact CA-O 3.17Å; M67-S76 WeakPolarHBondContact CB-O 3.18Å; K68-S76 WeakPolarHBondContact CE-OG 3.34Å; K68-S76 WeakPolarHBondContact CG-OG 3.46Å; K68-S76 PolarHBondContact N-O 3.35Å; K68-S76 PolarHBondContact O-N 2.97Å; K68-S76 VanDerWaalsContact O-N 3.1Å |
| 77 | K | 96.9 | Very high | 96.8 | Very high | 66 Ų | 66 | 56.8 Ų | 56.8 | 29% | 0.287 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 151.3 | 179.1 | -66.6 | 166.9 | 179.9 | 147 | 0 | 110.9 | I66 M67 I81 D83 F85 | I66-K77 CarbonylContact O-C 3.48Å; I66-K77 WeakPolarHBondContact O-CA 3.43Å; M67-K77 HydrophobicContact CE-CG 4.36Å; K77-I81 HydrophobicContact CB-CB 4.2Å; K77-I81 HydrophobicContact CB-CG2 4.37Å; K77-I81 HydrophobicContact CD-CG2 4.48Å; K77-I81 HydrophobicContact CG-CG2 4.29Å; K77-D83 PolarHBondContact NZ-O 2.74Å; K77-D83 IonicContact NZ-OD1 3.39Å; K77-D83 PolarHBondContact NZ-OD1 3.34Å; K77-F85 WeakPolarHBondContact CE-O 3.49Å; K77-F85 PolarHBondContact NZ-O 3.2Å |
| 78 | G | 96.5 | Very high | 96.9 | Very high | 15 Ų | 15 | 58.9 Ų | 58.9 | 16% | 0.155 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 168.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I66 G80 I81 | I66-G78 PolarHBondContact O-N 2.71Å; G78-G80 PolarHBondContact O-N 2.88Å; G78-I81 WeakPolarHBondContact O-CB 3.26Å; G78-I81 WeakPolarHBondContact O-CG1 3.38Å; G78-I81 PolarHBondContact O-N 2.91Å |
| 79 | D | 95.6 | Very high | 96.9 | Very high | 162 Ų | 162 | 57.2 Ų | 57.2 | 87% | 0.866 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 135 | -179.5 | -65.7 | -28 | 0 | 0 | 0 | 111.8 | I81 | D79-I81 PolarHBondContact O-N 3.25Š|
| 80 | G | 95.4 | Very high | 96.9 | Very high | 80 Ų | 80 | 60.7 Ų | 60.7 | 83% | 0.825 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 2.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | G78 P82 | G78-G80 PolarHBondContact O-N 2.88Å; G80-P82 WeakPolarHBondContact O-CD 3.39Å |
| 81 | I | 95.8 | Very high | 96.8 | Very high | 21 Ų | 21 | 59 Ų | 59 | 11% | 0.108 | 37% | 0.372 | C | S | . | . | trans | -76.1 | 122.5 | 177.4 | -60.4 | -62.7 | 0 | 0 | 0 | 109.9 | I66 K77 G78 D79 F85 | I66-I81 HydrophobicContact CB-CD1 4.49Å; I66-I81 HydrophobicContact CG2-CD1 4.38Å; I66-I81 HydrophobicContact CG2-CG2 3.87Å; I66-I81 WeakPolarHBondContact O-CG1 3.42Å; K77-I81 HydrophobicContact CB-CB 4.2Å; K77-I81 HydrophobicContact CB-CG2 4.37Å; K77-I81 HydrophobicContact CD-CG2 4.48Å; K77-I81 HydrophobicContact CG-CG2 4.29Å; G78-I81 WeakPolarHBondContact O-CB 3.26Å; G78-I81 WeakPolarHBondContact O-CG1 3.38Å; G78-I81 PolarHBondContact O-N 2.91Å; D79-I81 PolarHBondContact O-N 3.25Å; I81-F85 HydrophobicContact CG2-CB 3.94Å; I81-F85 HydrophobicContact CG2-CD1 4.21Å; I81-F85 HydrophobicContact CG2-CD2 4.23Å; I81-F85 HydrophobicContact CG2-CG 3.89Å | ||
| 82 | P | 95.9 | Very high | 96.8 | Very high | 49 Ų | 49 | 57.6 Ų | 57.6 | 32% | 0.318 | 36% | 0.364 | S | S | . | . | trans | -63.7 | 151.2 | -174.7 | -25.4 | 36.4 | 0 | 0 | 0 | 113.7 | G80 R84 F85 | G80-P82 WeakPolarHBondContact O-CD 3.39Å; P82-R84 HydrophobicContact CB-CG 4.22Å; P82-R84 VanDerWaalsContact CB-NH1 3.26Å; P82-R84 VanDerWaalsContact CG-NH1 3.3Å; P82-R84 PolarHBondContact O-N 3.34Å; P82-F85 HydrophobicContact CB-CD2 4.28Å; P82-F85 HydrophobicContact CB-CE2 4.47Å; P82-F85 HydrophobicContact CG-CE2 4.32Å; P82-F85 WeakPolarHBondContact O-CD2 3.21Å; P82-F85 PolarHBondContact O-N 2.97Å; P82-F85 VanDerWaalsContact O-N 3.1Å | ||
| 83 | D | 96 | Very high | 96.9 | Very high | 133 Ų | 133 | 53.7 Ų | 53.7 | 71% | 0.711 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -18.9 | -177.3 | -81.3 | -34.8 | 0 | 0 | 0 | 115.3 | K77 F85 | K77-D83 PolarHBondContact NZ-O 2.74Å; K77-D83 IonicContact NZ-OD1 3.39Å; K77-D83 PolarHBondContact NZ-OD1 3.34Å; D83-F85 PolarHBondContact O-N 2.7Å; D83-F85 VanDerWaalsContact O-N 3.16Å |
| 84 | R | 97.2 | Very high | 96.9 | Very high | 40 Ų | 40 | 52.7 Ų | 52.7 | 15% | 0.151 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.1 | 175.9 | 79.5 | 178 | 172.2 | -89.4 | 1.6 | 113.5 | P82 F98 S99 D105 | P82-R84 HydrophobicContact CB-CG 4.22Å; P82-R84 VanDerWaalsContact CB-NH1 3.26Å; P82-R84 VanDerWaalsContact CG-NH1 3.3Å; P82-R84 PolarHBondContact O-N 3.34Å; R84-F98 WeakPolarHBondContact O-CA 3.49Å; R84-S99 WeakPolarHBondContact CA-OG 3.29Å; R84-S99 VanDerWaalsContact CB-O 3.29Å; R84-S99 WeakPolarHBondContact CB-O 3.32Å; R84-S99 WeakPolarHBondContact CD-O 3.28Å; R84-S99 PolarHBondContact O-N 2.98Å; R84-S99 PolarHBondContact O-OG 3.13Å; R84-D105 IonicContact CZ-OD1 3.49Å; R84-D105 IonicContact CZ-OD2 2.92Å; R84-D105 IonicContact NE-OD1 3.02Å; R84-D105 IonicContact NE-OD2 2.66Å; R84-D105 PolarHBondContact NE-OD2 2.76Å; R84-D105 VanDerWaalsContact NH2-CG 3.31Å; R84-D105 IonicContact NH2-OD1 3.21Å; R84-D105 PolarHBondContact NH2-OD1 2.84Å; R84-D105 IonicContact NH2-OD2 3.56Å; R84-D105 PolarHBondContact NH2-OD2 2.81Å |
| 85 | F | 97.2 | Very high | 97 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 133.2 | 176.6 | -70.8 | -117.8 | 0 | 0 | 0 | 110.3 | I66 K77 I81 P82 D83 L96 T97 F98 Y109 | I66-F85 HydrophobicContact CD1-CE1 4.31Å; I66-F85 HydrophobicContact CG2-CD1 3.58Å; I66-F85 HydrophobicContact CG2-CE1 4.06Å; I66-F85 HydrophobicContact CG2-CG 4.45Å; K77-F85 WeakPolarHBondContact CE-O 3.49Å; K77-F85 PolarHBondContact NZ-O 3.2Å; I81-F85 HydrophobicContact CG2-CB 3.94Å; I81-F85 HydrophobicContact CG2-CD1 4.21Å; I81-F85 HydrophobicContact CG2-CD2 4.23Å; I81-F85 HydrophobicContact CG2-CG 3.89Å; P82-F85 HydrophobicContact CB-CD2 4.28Å; P82-F85 HydrophobicContact CB-CE2 4.47Å; P82-F85 HydrophobicContact CG-CE2 4.32Å; P82-F85 WeakPolarHBondContact O-CD2 3.21Å; P82-F85 PolarHBondContact O-N 2.97Å; P82-F85 VanDerWaalsContact O-N 3.1Å; D83-F85 PolarHBondContact O-N 2.7Å; D83-F85 VanDerWaalsContact O-N 3.16Å; F85-L96 HydrophobicContact CD1-CD1 4.2Å; F85-T97 CarbonylContact C-O 3.48Å; F85-T97 WeakPolarHBondContact CA-O 3.49Å; F85-F98 AromaticContact CD1-CD1 3.41Å; F85-F98 HydrophobicContact CD1-CD1 3.41Å; F85-F98 VanDerWaalsContact CD1-CD1 3.41Å; F85-F98 AromaticContact CD1-CE1 3.79Å; F85-F98 HydrophobicContact CD1-CE1 3.79Å; F85-F98 HydrophobicContact CD2-CD1 4.44Å; F85-F98 AromaticContact CE1-CD1 3.28Å; F85-F98 HydrophobicContact CE1-CD1 3.28Å; F85-F98 AromaticContact CE1-CE1 3.5Å; F85-F98 HydrophobicContact CE1-CE1 3.5Å; F85-F98 VanDerWaalsContact CE1-CE1 3.5Å; F85-F98 HydrophobicContact CE2-CD1 4.31Å; F85-F98 HydrophobicContact CG-CD1 4.01Å; F85-F98 AromaticContact CZ-CD1 3.74Å; F85-F98 HydrophobicContact CZ-CD1 3.74Å; F85-F98 HydrophobicContact CZ-CE1 4.25Å; F85-Y109 HydrophobicContact CE1-CE1 4.46Å |
| 86 | M | 97.6 | Very high | 97.1 | Very high | 103 Ų | 103 | 48.5 Ų | 48.5 | 51% | 0.507 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 139.5 | -179.1 | -67.7 | -170.9 | 70 | 0 | 0 | 111.3 | T97 | M86-T97 PolarHBondContact N-O 2.64Å; M86-T97 PolarHBondContact O-N 3.39Å |
| 87 | G | 97.9 | Very high | 97.1 | Very high | 7 Ų | 7 | 48 Ų | 48 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 143.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | H75 Y95 | H75-G87 PolarHBondContact CE1-N 2.94Å; H75-G87 PolarHBondContact CE1-O 2.78Å; H75-G87 PolarHBondContact ND1-N 3.06Å; H75-G87 PolarHBondContact ND1-O 2.85Å; G87-Y95 WeakPolarHBondContact CA-O 3.43Å |
| 88 | S | 98.2 | Very high | 97 | Very high | 45 Ų | 45 | 45 Ų | 45 | 32% | 0.315 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 167.1 | 169.1 | 63.8 | 0 | 0 | 0 | 0 | 110.8 | V69 Y95 | V69-S88 WeakPolarHBondContact CG1-O 3.29Å; S88-Y95 PolarHBondContact N-O 2.79Å; S88-Y95 VanDerWaalsContact N-O 3.08Å; S88-Y95 PolarHBondContact O-N 2.95Å; S88-Y95 WeakPolarHBondContact OG-CB 3.36Å |
| 89 | S | 98.1 | Very high | 97 | Very high | 29 Ų | 29 | 46.7 Ų | 46.7 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 147.9 | -174.3 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | K70 S71 D93 R94 | K70-S89 WeakPolarHBondContact O-CB 3.35Å; S71-S89 WeakPolarHBondContact O-CB 3.29Å; S71-S89 PolarHBondContact O-OG 2.82Å; S89-D93 WeakPolarHBondContact CA-O 3.48Å; S89-D93 PolarHBondContact OG-O 2.82Å; S89-R94 PolarHBondContact OG-NH1 2.03Å |
| 90 | S | 97.2 | Very high | 97 | Very high | 73 Ų | 73 | 43.3 Ų | 43.3 | 51% | 0.51 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 109 | 168.7 | 178.6 | 0 | 0 | 0 | 0 | 110 | A92 D93 | S90-A92 PolarHBondContact O-N 2.91Å; S90-D93 PolarHBondContact N-O 3.23Å; S90-D93 VanDerWaalsContact N-O 3.08Å; S90-D93 WeakPolarHBondContact O-CB 3.32Å; S90-D93 PolarHBondContact O-N 2.85Å |
| 91 | G | 96.3 | Very high | 97.1 | Very high | 55 Ų | 55 | 40.6 Ų | 40.6 | 57% | 0.567 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | -120.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D93 R94 | G91-D93 VanDerWaalsContact C-N 3.29Å; G91-R94 PolarHBondContact O-NH1 3.42Å |
| 92 | A | 96.7 | Very high | 97.1 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 19% | 0.19 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -1.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L43 S90 | L43-A92 HydrophobicContact CB-CB 4.5Å; L43-A92 WeakPolarHBondContact CB-O 3.36Å; L43-A92 WeakPolarHBondContact CD1-O 3.48Å; L43-A92 PolarHBondContact N-O 2.65Å; L43-A92 WeakPolarHBondContact O-CB 3.3Å; S90-A92 PolarHBondContact O-N 2.91Å |
| 93 | D | 98 | Very high | 97 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 20% | 0.203 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 142.7 | 178.8 | -67.7 | -19.2 | 0 | 0 | 0 | 111.9 | T40 C41 T42 S89 S90 G91 Y95 | T40-D93 HydrophobicContact CG2-CB 4.25Å; C41-D93 WeakPolarHBondContact O-CA 2.99Å; T42-D93 WeakPolarHBondContact CB-OD1 3.49Å; T42-D93 WeakPolarHBondContact CG2-OD1 2.99Å; T42-D93 PolarHBondContact OG1-OD1 2.9Å; S89-D93 WeakPolarHBondContact CA-O 3.48Å; S89-D93 PolarHBondContact OG-O 2.82Å; S90-D93 PolarHBondContact N-O 3.23Å; S90-D93 VanDerWaalsContact N-O 3.08Å; S90-D93 WeakPolarHBondContact O-CB 3.32Å; S90-D93 PolarHBondContact O-N 2.85Å; G91-D93 VanDerWaalsContact C-N 3.29Å; D93-Y95 HydrophobicContact CB-CE1 3.75Å; D93-Y95 HydrophobicContact CB-CE2 3.95Å; D93-Y95 VanDerWaalsContact CB-OH 3.28Å; D93-Y95 WeakPolarHBondContact CB-OH 3.33Å; D93-Y95 PolarHBondContact OD2-OH 2.97Å |
| 94 | R | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 134.3 | 165 | -60.4 | -67 | -179.6 | -81.6 | -11.7 | 108.3 | C41 L43 S48 Y50 I52 S71 S89 G91 | C41-R94 PolarHBondContact N-O 3.2Å; C41-R94 PolarHBondContact O-N 2.86Å; L43-R94 HydrophobicContact CD1-CG 3.67Å; S48-R94 PolarHBondContact O-NH2 2.7Å; Y50-R94 PolarHBondContact O-NE 3.5Å; Y50-R94 PolarHBondContact O-NH2 2.94Å; I52-R94 HydrophobicContact CB-CB 4.02Å; I52-R94 HydrophobicContact CB-CG 3.78Å; I52-R94 HydrophobicContact CG1-CB 4.09Å; I52-R94 HydrophobicContact CG1-CG 3.53Å; I52-R94 HydrophobicContact CG2-CB 4.31Å; S71-R94 VanDerWaalsContact CA-CZ 3.47Å; S71-R94 VanDerWaalsContact CA-NH2 3.32Å; S71-R94 VanDerWaalsContact CB-NH2 3.3Å; S89-R94 PolarHBondContact OG-NH1 2.03Å; G91-R94 PolarHBondContact O-NH1 3.42Å |
| 95 | Y | 98.4 | Very high | 96.8 | Very high | 28 Ų | 28 | 41.4 Ų | 41.4 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 139.1 | -176.8 | -51.2 | -71.4 | 0 | 0 | 0 | 111.4 | K38 L39 T40 G87 S88 D93 | K38-Y95 HydrophobicContact CD-CD1 3.88Å; K38-Y95 HydrophobicContact CD-CG 3.91Å; K38-Y95 HydrophobicContact CG-CD1 4.11Å; K38-Y95 HydrophobicContact CG-CG 4.25Å; L39-Y95 WeakPolarHBondContact O-CA 3.01Å; T40-Y95 HydrophobicContact CG2-CD1 3.89Å; T40-Y95 HydrophobicContact CG2-CE1 3.55Å; T40-Y95 WeakPolarHBondContact OG1-CD1 3.28Å; T40-Y95 WeakPolarHBondContact OG1-CE1 3.33Å; G87-Y95 WeakPolarHBondContact CA-O 3.43Å; S88-Y95 PolarHBondContact N-O 2.79Å; S88-Y95 VanDerWaalsContact N-O 3.08Å; S88-Y95 PolarHBondContact O-N 2.95Å; S88-Y95 WeakPolarHBondContact OG-CB 3.36Å; D93-Y95 HydrophobicContact CB-CE1 3.75Å; D93-Y95 HydrophobicContact CB-CE2 3.95Å; D93-Y95 VanDerWaalsContact CB-OH 3.28Å; D93-Y95 WeakPolarHBondContact CB-OH 3.33Å; D93-Y95 PolarHBondContact OD2-OH 2.97Å |
| 96 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 115 | 165.2 | 179.6 | 63.4 | 0 | 0 | 0 | 108.2 | K38 L39 W54 I66 M67 F85 F98 Y109 | K38-L96 CarbonylContact C-O 3.57Å; K38-L96 WeakPolarHBondContact CA-O 3.34Å; L39-L96 HydrophobicContact CB-CB 4.39Å; L39-L96 PolarHBondContact N-O 3.25Å; L39-L96 PolarHBondContact O-N 2.95Å; W54-L96 HydrophobicContact CB-CD2 4.06Å; W54-L96 HydrophobicContact CD2-CB 3.68Å; W54-L96 HydrophobicContact CD2-CD2 3.92Å; W54-L96 HydrophobicContact CD2-CG 4.38Å; W54-L96 HydrophobicContact CE3-CB 4.11Å; W54-L96 HydrophobicContact CE3-CD2 3.93Å; W54-L96 HydrophobicContact CG-CB 4.06Å; W54-L96 HydrophobicContact CG-CD1 4.49Å; W54-L96 HydrophobicContact CG-CD2 3.99Å; W54-L96 HydrophobicContact CG-CG 4.43Å; W54-L96 HydrophobicContact CH2-CB 4.31Å; W54-L96 HydrophobicContact CZ2-CB 3.91Å; W54-L96 HydrophobicContact CZ3-CB 4.4Å; I66-L96 HydrophobicContact CD1-CD2 3.78Å; I66-L96 HydrophobicContact CG2-CD1 4.27Å; M67-L96 HydrophobicContact CG-CD1 4.05Å; M67-L96 HydrophobicContact SD-CD1 3.2Å; M67-L96 WeakPolarHBondContact SD-CD1 3.45Å; F85-L96 HydrophobicContact CD1-CD1 4.2Å; L96-F98 HydrophobicContact CB-CZ 4.49Å; L96-F98 HydrophobicContact CD1-CE1 4.38Å; L96-F98 HydrophobicContact CD2-CD1 4.46Å; L96-F98 HydrophobicContact CD2-CE1 3.41Å; L96-F98 VanDerWaalsContact CD2-CE1 3.41Å; L96-F98 HydrophobicContact CD2-CZ 3.62Å; L96-F98 HydrophobicContact CG-CD1 4.26Å; L96-F98 HydrophobicContact CG-CE1 3.55Å; L96-F98 HydrophobicContact CG-CE2 4.5Å; L96-F98 HydrophobicContact CG-CZ 3.7Å; L96-Y109 HydrophobicContact CD2-CD1 3.88Å; L96-Y109 HydrophobicContact CD2-CE1 4.16Å |
| 97 | T | 97.8 | Very high | 96.6 | Very high | 37 Ų | 37 | 45.6 Ų | 45.6 | 23% | 0.227 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135.6 | 179.4 | -52.9 | 0 | 0 | 0 | 0 | 109.6 | I37 F85 M86 | I37-T97 WeakPolarHBondContact O-CA 3.47Å; F85-T97 CarbonylContact C-O 3.48Å; F85-T97 WeakPolarHBondContact CA-O 3.49Å; M86-T97 PolarHBondContact N-O 2.64Å; M86-T97 PolarHBondContact O-N 3.39Å |
| 98 | F | 94.3 | Very high | 96.6 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127 | 173.9 | -15.5 | -110.9 | 0 | 0 | 0 | 107.4 | S36 I37 L39 R84 F85 L96 Y109 | S36-F98 WeakPolarHBondContact CA-O 3.16Å; I37-F98 HydrophobicContact CB-CD2 4.31Å; I37-F98 HydrophobicContact CG2-CD2 3.25Å; I37-F98 HydrophobicContact CG2-CE2 3.64Å; I37-F98 HydrophobicContact CG2-CG 4.28Å; I37-F98 PolarHBondContact N-O 3Å; I37-F98 VanDerWaalsContact O-CD2 3.23Å; I37-F98 WeakPolarHBondContact O-CD2 3.32Å; I37-F98 PolarHBondContact O-N 3.13Å; L39-F98 HydrophobicContact CD1-CE2 4.13Å; L39-F98 HydrophobicContact CD1-CZ 3.61Å; L39-F98 HydrophobicContact CD2-CE2 4.33Å; L39-F98 HydrophobicContact CG-CE2 3.71Å; L39-F98 HydrophobicContact CG-CZ 3.71Å; R84-F98 WeakPolarHBondContact O-CA 3.49Å; F85-F98 AromaticContact CD1-CD1 3.41Å; F85-F98 HydrophobicContact CD1-CD1 3.41Å; F85-F98 VanDerWaalsContact CD1-CD1 3.41Å; F85-F98 AromaticContact CD1-CE1 3.79Å; F85-F98 HydrophobicContact CD1-CE1 3.79Å; F85-F98 HydrophobicContact CD2-CD1 4.44Å; F85-F98 AromaticContact CE1-CD1 3.28Å; F85-F98 HydrophobicContact CE1-CD1 3.28Å; F85-F98 AromaticContact CE1-CE1 3.5Å; F85-F98 HydrophobicContact CE1-CE1 3.5Å; F85-F98 VanDerWaalsContact CE1-CE1 3.5Å; F85-F98 HydrophobicContact CE2-CD1 4.31Å; F85-F98 HydrophobicContact CG-CD1 4.01Å; F85-F98 AromaticContact CZ-CD1 3.74Å; F85-F98 HydrophobicContact CZ-CD1 3.74Å; F85-F98 HydrophobicContact CZ-CE1 4.25Å; L96-F98 HydrophobicContact CB-CZ 4.49Å; L96-F98 HydrophobicContact CD1-CE1 4.38Å; L96-F98 HydrophobicContact CD2-CD1 4.46Å; L96-F98 HydrophobicContact CD2-CE1 3.41Å; L96-F98 VanDerWaalsContact CD2-CE1 3.41Å; L96-F98 HydrophobicContact CD2-CZ 3.62Å; L96-F98 HydrophobicContact CG-CD1 4.26Å; L96-F98 HydrophobicContact CG-CE1 3.55Å; L96-F98 HydrophobicContact CG-CE2 4.5Å; L96-F98 HydrophobicContact CG-CZ 3.7Å; F98-Y109 HydrophobicContact CE1-CD1 4.32Å; F98-Y109 AromaticContact CE1-CE1 3.64Å; F98-Y109 HydrophobicContact CE1-CE1 3.64Å; F98-Y109 AromaticContact CE1-CZ 3.93Å; F98-Y109 HydrophobicContact CZ-CD1 4.31Å; F98-Y109 AromaticContact CZ-CE1 3.95Å; F98-Y109 HydrophobicContact CZ-CE1 3.95Å |
| 99 | S | 96.6 | Very high | 96.6 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 36% | 0.357 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -89.2 | 152.6 | 168.7 | 52.2 | 0 | 0 | 0 | 0 | 109.9 | R84 | R84-S99 WeakPolarHBondContact CA-OG 3.29Å; R84-S99 VanDerWaalsContact CB-O 3.29Å; R84-S99 WeakPolarHBondContact CB-O 3.32Å; R84-S99 WeakPolarHBondContact CD-O 3.28Å; R84-S99 PolarHBondContact O-N 2.98Å; R84-S99 PolarHBondContact O-OG 3.13Å |
| 100 | N | 96.6 | Very high | 96.6 | Very high | 90 Ų | 90 | 52.4 Ų | 52.4 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 53.6 | 58.3 | 177 | -171.1 | 37.2 | 0 | 0 | 0 | 113.3 | G34 A35 Q102 | G34-N100 WeakPolarHBondContact CA-OD1 3.44Å; A35-N100 PolarHBondContact O-N 3.12Å; N100-Q102 VanDerWaalsContact O-CG 3.31Å; N100-Q102 WeakPolarHBondContact O-CG 3.43Å; N100-Q102 PolarHBondContact O-N 3.13Å |
| 101 | L | 96.6 | Very high | 96.6 | Very high | 24 Ų | 24 | 49.7 Ų | 49.7 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | trans | -51.3 | 129.6 | -177.7 | -176.5 | 66.1 | 0 | 0 | 0 | 111.9 | A31 L33 G34 A35 I37 D105 | A31-L101 HydrophobicContact CB-CD2 4.01Å; L33-L101 WeakPolarHBondContact CA-O 3.34Å; G34-L101 PolarHBondContact N-O 2.86Å; A35-L101 WeakPolarHBondContact O-CB 3.44Å; A35-L101 PolarHBondContact O-N 2.9Å; I37-L101 HydrophobicContact CG2-CD1 3.8Å; I37-L101 HydrophobicContact CG2-CD2 4.14Å; I37-L101 HydrophobicContact CG2-CG 4.41Å; L101-D105 HydrophobicContact CD1-CB 3.61Å | ||
| 102 | Q | 96.4 | Very high | 96.5 | Very high | 75 Ų | 75 | 48 Ų | 48 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | trans | -110.2 | 160.5 | -178.8 | -54.8 | -174.3 | -19.9 | 0 | 0 | 111 | N100 D104 D105 | N100-Q102 VanDerWaalsContact O-CG 3.31Å; N100-Q102 WeakPolarHBondContact O-CG 3.43Å; N100-Q102 PolarHBondContact O-N 3.13Å; Q102-D104 PolarHBondContact O-N 3.35Å; Q102-D105 PolarHBondContact N-OD2 3.39Å; Q102-D105 WeakPolarHBondContact O-CB 3.27Å; Q102-D105 PolarHBondContact O-N 3.44Å; Q102-D105 VanDerWaalsContact O-N 3.13Å | ||
| 103 | S | 94.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 49 Ų | 49 | 55% | 0.552 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -57.9 | -34.4 | 174.9 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | D105 E106 | S103-D105 PolarHBondContact O-N 3.47Å; S103-E106 WeakPolarHBondContact O-CB 3.3Å; S103-E106 PolarHBondContact O-N 2.81Å |
| 104 | D | 92.9 | Very high | 95.9 | Very high | 100 Ų | 100 | 47.8 Ų | 47.8 | 54% | 0.535 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -73.6 | -8.8 | -177.6 | -64.8 | 5.1 | 0 | 0 | 0 | 113.5 | R58 Q102 E106 | R58-D104 PolarHBondContact NE-O 3.46Å; R58-D104 PolarHBondContact NH2-O 3.45Å; Q102-D104 PolarHBondContact O-N 3.35Å; D104-E106 VanDerWaalsContact C-N 3.33Å |
| 105 | D | 95.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.027 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -84.6 | -8.2 | 175.7 | -65.3 | -35.1 | 0 | 0 | 0 | 112.4 | R84 L101 Q102 S103 A107 Y109 | R84-D105 IonicContact CZ-OD1 3.49Å; R84-D105 IonicContact CZ-OD2 2.92Å; R84-D105 IonicContact NE-OD1 3.02Å; R84-D105 IonicContact NE-OD2 2.66Å; R84-D105 PolarHBondContact NE-OD2 2.76Å; R84-D105 VanDerWaalsContact NH2-CG 3.31Å; R84-D105 IonicContact NH2-OD1 3.21Å; R84-D105 PolarHBondContact NH2-OD1 2.84Å; R84-D105 IonicContact NH2-OD2 3.56Å; R84-D105 PolarHBondContact NH2-OD2 2.81Å; L101-D105 HydrophobicContact CD1-CB 3.61Å; Q102-D105 PolarHBondContact N-OD2 3.39Å; Q102-D105 WeakPolarHBondContact O-CB 3.27Å; Q102-D105 PolarHBondContact O-N 3.44Å; Q102-D105 VanDerWaalsContact O-N 3.13Å; S103-D105 PolarHBondContact O-N 3.47Å; D105-A107 PolarHBondContact O-N 3.03Å; D105-A107 VanDerWaalsContact O-N 3.16Å; D105-Y109 VanDerWaalsContact O-CE2 3.3Å; D105-Y109 WeakPolarHBondContact O-CE2 3.44Å; D105-Y109 PolarHBondContact O-OH 3.13Å |
| 106 | E | 95.3 | Very high | 92.8 | Very high | 168 Ų | 168 | 57.4 Ų | 57.4 | 79% | 0.785 | 31% | 0.312 | S | S | * | . | trans | -68 | 110 | 174 | -169.8 | 176.8 | 168.7 | 0 | 0 | 110.4 | S103 D104 | S103-E106 WeakPolarHBondContact O-CB 3.3Å; S103-E106 PolarHBondContact O-N 2.81Å; D104-E106 VanDerWaalsContact C-N 3.33Å | ||
| 107 | A | 96.4 | Very high | 90.6 | Very high | 28 Ų | 28 | 63.3 Ų | 63.3 | 23% | 0.231 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -164.6 | 169.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q56 Q57 R58 D105 Y109 | Q56-A107 HydrophobicContact CG-CB 3.45Å; Q56-A107 VanDerWaalsContact CG-CB 3.45Å; Q57-A107 WeakPolarHBondContact O-CB 3.47Å; R58-A107 HydrophobicContact CG-CB 4.1Å; D105-A107 PolarHBondContact O-N 3.03Å; D105-A107 VanDerWaalsContact O-N 3.16Å; A107-Y109 HydrophobicContact CB-CD2 4.46Å; A107-Y109 HydrophobicContact CB-CE2 3.95Å; A107-Y109 WeakPolarHBondContact O-CD2 3.47Å |
| 108 | E | 97.3 | Very high | 88 | Confident | 118 Ų | 118 | 69.7 Ų | 69.7 | 55% | 0.551 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 139.1 | 161.1 | -65.8 | 179.3 | -171.1 | 0 | 0 | 109.5 | Q57 H110 | Q57-E108 HydrophobicContact CB-CB 4.28Å; Q57-E108 PolarHBondContact N-O 3.34Å; Q57-E108 PolarHBondContact O-N 2.84Å; E108-H110 IonicContact OE2-CE1 3.2Å; E108-H110 IonicContact OE2-NE2 3.68Å; E108-H110 PolarHBondContact OE2-NE2 3.31Å |
| 109 | Y | 97.8 | Very high | 85.7 | Confident | 32 Ų | 32 | 73.1 Ų | 73.1 | 13% | 0.125 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 123.3 | 178 | -71.3 | -95.4 | 0 | 0 | 0 | 109.8 | Q25 L39 Y55 Q56 I66 F85 L96 F98 D105 A107 | Q25-Y109 PolarHBondContact NE2-O 2.86Å; L39-Y109 VanDerWaalsContact CD1-CB 3.41Å; L39-Y109 HydrophobicContact CD1-CD1 3.98Å; L39-Y109 HydrophobicContact CD1-CD2 3.79Å; L39-Y109 HydrophobicContact CD1-CG 3.45Å; L39-Y109 VanDerWaalsContact CD1-CG 3.45Å; Y55-Y109 VanDerWaalsContact O-CA 3.32Å; Y55-Y109 WeakPolarHBondContact O-CA 3.39Å; Q56-Y109 HydrophobicContact CB-CD1 4.46Å; Q56-Y109 HydrophobicContact CB-CE1 4.18Å; Q56-Y109 HydrophobicContact CG-CD1 4.44Å; Q56-Y109 HydrophobicContact CG-CE1 3.9Å; Q56-Y109 PolarHBondContact NE2-OH 3.38Å; I66-Y109 HydrophobicContact CD1-CD1 3.59Å; I66-Y109 HydrophobicContact CD1-CE1 3.54Å; F85-Y109 HydrophobicContact CE1-CE1 4.46Å; L96-Y109 HydrophobicContact CD2-CD1 3.88Å; L96-Y109 HydrophobicContact CD2-CE1 4.16Å; F98-Y109 HydrophobicContact CE1-CD1 4.32Å; F98-Y109 AromaticContact CE1-CE1 3.64Å; F98-Y109 HydrophobicContact CE1-CE1 3.64Å; F98-Y109 AromaticContact CE1-CZ 3.93Å; F98-Y109 HydrophobicContact CZ-CD1 4.31Å; F98-Y109 AromaticContact CZ-CE1 3.95Å; F98-Y109 HydrophobicContact CZ-CE1 3.95Å; D105-Y109 VanDerWaalsContact O-CE2 3.3Å; D105-Y109 WeakPolarHBondContact O-CE2 3.44Å; D105-Y109 PolarHBondContact O-OH 3.13Å; A107-Y109 HydrophobicContact CB-CD2 4.46Å; A107-Y109 HydrophobicContact CB-CE2 3.95Å; A107-Y109 WeakPolarHBondContact O-CD2 3.47Å |
| 110 | H | 97.4 | Very high | 82.7 | Confident | 73 Ų | 73 | 78.3 Ų | 78.3 | 34% | 0.338 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 136.4 | -176 | -61.7 | -66.9 | 0 | 0 | 0 | 109.8 | Y55 Q57 E108 | Y55-H110 PolarHBondContact N-O 2.82Å; Y55-H110 PolarHBondContact O-N 2.87Å; Q57-H110 PolarHBondContact OE1-NE2 3.41Å; E108-H110 IonicContact OE2-CE1 3.2Å; E108-H110 IonicContact OE2-NE2 3.68Å; E108-H110 PolarHBondContact OE2-NE2 3.31Å |
| 111 | C | 97.4 | Very high | 80.2 | Confident | 16 Ų | 16 | 79 Ų | 79 | 11% | 0.108 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 141.4 | 169.4 | 69.3 | 0 | 0 | 0 | 0 | 111.3 | L23 Q25 C41 I52 E53 W54 | L23-C111 WeakPolarHBondContact CD1-O 3.47Å; Q25-C111 VanDerWaalsContact CG-SG 3.53Å; Q25-C111 PolarHBondContact OE1-SG 3.29Å; C41-C111 HydrophobicContact CB-CB 3.48Å; C41-C111 VanDerWaalsContact CB-CB 3.48Å; C41-C111 WeakPolarHBondContact CB-SG 3.46Å; C41-C111 WeakPolarHBondContact SG-CB 3.36Å; C41-C111 CovalentContact SG-SG 2.03Å; C41-C111 PolarHBondContact SG-SG 3.49Å; I52-C111 HydrophobicContact CG2-CB 3.63Å; E53-C111 CarbonylContact O-C 3.57Å; E53-C111 VanDerWaalsContact O-CA 3.28Å; E53-C111 WeakPolarHBondContact O-CA 3.35Å; W54-C111 HydrophobicContact CD2-CB 4.38Å; W54-C111 HydrophobicContact CE3-CB 4.22Å; W54-C111 HydrophobicContact CH2-CB 4.32Å; W54-C111 HydrophobicContact CZ2-CB 4.46Å; W54-C111 HydrophobicContact CZ3-CB 4.19Å |
| 112 | G | 96 | Very high | 77.3 | Confident | 21 Ų | 21 | 82.2 Ų | 82.2 | 22% | 0.216 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I52 E53 | I52-G112 CarbonylContact C-O 3.58Å; I52-G112 VanDerWaalsContact CA-O 3.3Å; I52-G112 WeakPolarHBondContact CA-O 3.45Å; I52-G112 WeakPolarHBondContact CD1-O 3.43Å; E53-G112 PolarHBondContact N-O 2.91Å; E53-G112 PolarHBondContact O-N 3.1Å |
| 113 | E | 93.6 | Very high | 76.3 | Confident | 42 Ų | 42 | 82.6 Ų | 82.6 | 20% | 0.196 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 133.5 | 169.1 | -174 | -128.4 | 149.2 | 0 | 0 | 110 | Y50 H115 | Y50-E113 HydrophobicContact CD2-CG 3.69Å; Y50-E113 HydrophobicContact CE2-CG 4.42Å; Y50-E113 HydrophobicContact CG-CG 4.37Å; E113-H115 PolarHBondContact O-N 3.15Å; E113-H115 IonicContact OE1-ND1 3.03Å; E113-H115 PolarHBondContact OE1-ND1 3.02Å; E113-H115 IonicContact OE2-CE1 2.84Å; E113-H115 PolarHBondContact OE2-CE1 2.88Å; E113-H115 IonicContact OE2-ND1 3.76Å; E113-H115 PolarHBondContact OE2-ND1 2.93Å; E113-H115 IonicContact OE2-NE2 3.82Å |
| 114 | S | 88.3 | Confident | 75.4 | Confident | 14 Ų | 14 | 82.7 Ų | 82.7 | 10% | 0.098 | 48% | 0.478 | C | S | . | . | trans | -75.7 | 105.1 | 171.4 | -167.3 | 0 | 0 | 0 | 0 | 109.5 | T51 E53 T116 | T51-S114 PolarHBondContact O-N 2.95Å; E53-S114 VanDerWaalsContact OE1-CB 3.29Å; E53-S114 WeakPolarHBondContact OE1-CB 3.42Å; E53-S114 PolarHBondContact OE1-OG 2.97Å; S114-T116 PolarHBondContact O-N 2.84Å | ||
| 115 | H | 72.5 | Confident | 74.4 | Confident | 120 Ų | 120 | 81.8 Ų | 81.8 | 56% | 0.556 | 48% | 0.475 | S | S | * | . | trans | -77.4 | 120.6 | 172.5 | -67.3 | -57.4 | 0 | 0 | 0 | 110 | E113 I117 | E113-H115 PolarHBondContact O-N 3.15Å; E113-H115 IonicContact OE1-ND1 3.03Å; E113-H115 PolarHBondContact OE1-ND1 3.02Å; E113-H115 IonicContact OE2-CE1 2.84Å; E113-H115 PolarHBondContact OE2-CE1 2.88Å; E113-H115 IonicContact OE2-ND1 3.76Å; E113-H115 PolarHBondContact OE2-ND1 2.93Å; E113-H115 IonicContact OE2-NE2 3.82Å; H115-I117 PolarHBondContact O-N 3.04Å | ||
| 116 | T | 57.7 | Low | 73.2 | Confident | 109 Ų | 109 | 86.3 Ų | 86.3 | 67% | 0.669 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 102.4 | 165.3 | -53.2 | 0 | 0 | 0 | 0 | 108.4 | S114 D118 | S114-T116 PolarHBondContact O-N 2.84Å; T116-D118 PolarHBondContact O-N 3.07Å |
| 117 | I | 53.1 | Low | 71.8 | Confident | 125 Ų | 125 | 81.2 Ų | 81.2 | 64% | 0.641 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 97.8 | 167.6 | -57.4 | 175.5 | 0 | 0 | 0 | 106.2 | H115 G119 Q120 | H115-I117 PolarHBondContact O-N 3.04Å; I117-G119 VanDerWaalsContact C-N 3.35Å; I117-G119 PolarHBondContact O-N 3.29Å; I117-Q120 PolarHBondContact N-O 3.24Å; I117-Q120 PolarHBondContact O-N 3.27Å |
| 118 | D | 41.8 | Very low | 70.2 | Confident | 170 Ų | 170 | 84.7 Ų | 84.7 | 91% | 0.909 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 20.3 | 65.8 | 165.4 | -135.8 | 7.6 | 0 | 0 | 0 | 115.6 | T116 | T116-D118 PolarHBondContact O-N 3.07Š|
| 119 | G | 47.3 | Very low | 68.3 | Low | 75 Ų | 75 | 82.4 Ų | 82.4 | 77% | 0.773 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.2 | -1.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | I117 | I117-G119 VanDerWaalsContact C-N 3.35Å; I117-G119 PolarHBondContact O-N 3.29Å |
| 120 | Q | 34 | Very low | 66 | Low | 161 Ų | 161 | 86.2 Ų | 86.2 | 75% | 0.752 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 122.2 | 170.1 | -73.8 | 179.2 | -88 | 0 | 0 | 110.6 | I117 G122 | I117-Q120 PolarHBondContact N-O 3.24Å; I117-Q120 PolarHBondContact O-N 3.27Å; Q120-G122 PolarHBondContact O-N 3.32Å |
| 121 | V | 43.1 | Very low | 63.4 | Low | 103 Ų | 103 | 87.3 Ų | 87.3 | 62% | 0.624 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 113.6 | 170.3 | -179.1 | 0 | 0 | 0 | 0 | 106.7 | ||
| 122 | G | 36 | Very low | 60.3 | Low | 92 Ų | 92 | 93.8 Ų | 93.8 | 95% | 0.948 | 58% | 0.58 | S | S | * | * | trans | -85.1 | 0 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q120 | Q120-G122 PolarHBondContact O-N 3.32Š|
Retrieved 122 of 122 residues in 64.7 ms
(Link to these results)