| 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 | 64.6 | Low | 89.3 | Confident | 248 Ų | 248 | 151.6 Ų | 151.6 | 100% | 1.222 | 76% | 0.762 | S | S | * | * | 0 | 119.1 | 0 | -77.6 | -173.3 | -71.6 | 0 | 0 | 108.1 | |||||
| 2 | S | 86.1 | Confident | 89.7 | Confident | 111 Ų | 111 | 142.6 Ų | 142.6 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 160.1 | 178.2 | 57.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 3 | H | 88.3 | Confident | 90.2 | Very high | 167 Ų | 167 | 135.8 Ų | 135.8 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 153.2 | 172.9 | 165.2 | -87.7 | 0 | 0 | 0 | 112 | K5 | H3-K5 PolarHBondContact O-N 3.27Š|
| 4 | R | 88.5 | Confident | 90.5 | Very high | 139 Ų | 139 | 132.6 Ų | 132.6 | 53% | 0.525 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 129.9 | -177.6 | -153.8 | 178.5 | 98.3 | 141.8 | 34.1 | 111.6 | F6 S7 | R4-F6 PolarHBondContact NE-O 3.11Å; R4-F6 PolarHBondContact NH2-O 3.21Å; R4-F6 PolarHBondContact O-N 2.74Å; R4-S7 VanDerWaalsContact NH2-C 3.29Å |
| 5 | K | 90.8 | Very high | 90.9 | Very high | 189 Ų | 189 | 128.4 Ų | 128.4 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -62.8 | -38.6 | -173.5 | -68.9 | -175.5 | 178.4 | -178.2 | 0 | 115 | H3 | H3-K5 PolarHBondContact O-N 3.27Š|
| 6 | F | 94 | Very high | 91.1 | Very high | 172 Ų | 172 | 130.4 Ų | 130.4 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -126.7 | 139.3 | 177.7 | -61.9 | -72.5 | 0 | 0 | 0 | 110.3 | R4 | R4-F6 PolarHBondContact NE-O 3.11Å; R4-F6 PolarHBondContact NH2-O 3.21Å; R4-F6 PolarHBondContact O-N 2.74Å |
| 7 | S | 91.8 | Very high | 91.3 | Very high | 121 Ų | 121 | 128.9 Ų | 128.9 | 85% | 0.846 | 69% | 0.685 | S | S | * | * | trans | -67.7 | 141.9 | 172.2 | 54.2 | 0 | 0 | 0 | 0 | 111 | R4 | R4-S7 VanDerWaalsContact NH2-C 3.29Š| ||
| 8 | A | 94.6 | Very high | 91.5 | Very high | 51 Ų | 51 | 126.7 Ų | 126.7 | 42% | 0.421 | 68% | 0.679 | S | S | . | * | trans | -146.1 | 153.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 9 | P | 95.6 | Very high | 91.5 | Very high | 115 Ų | 115 | 129.8 Ų | 129.8 | 75% | 0.747 | 68% | 0.681 | S | S | * | * | trans | -58.9 | 155.5 | 173.8 | -22.6 | 34.2 | 0 | 0 | 0 | 112.1 | ||||
| 10 | R | 93.4 | Very high | 91.8 | Very high | 177 Ų | 177 | 131.7 Ų | 131.7 | 67% | 0.668 | 68% | 0.683 | S | S | * | * | trans | -68.5 | 135.3 | 174 | -174.5 | -176.2 | -177.4 | 108.7 | 13.5 | 110.4 | G12 L14 | R10-G12 PolarHBondContact O-N 3.44Å; R10-L14 VanDerWaalsContact CZ-CD1 3.47Å; R10-L14 VanDerWaalsContact CZ-CD2 3.41Å; R10-L14 VanDerWaalsContact CZ-CG 3.41Å | ||
| 11 | H | 94.3 | Very high | 91.9 | Very high | 178 Ų | 178 | 136.5 Ų | 136.5 | 82% | 0.824 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -78 | 112.3 | 172.6 | -66.7 | -66.9 | 0 | 0 | 0 | 111.7 | ||
| 12 | G | 95.2 | Very high | 93.2 | Very high | 43 Ų | 43 | 129 Ų | 129 | 44% | 0.443 | 66% | 0.664 | S | S | . | * | S | Bend | trans | 80.6 | 156.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R10 | R10-G12 PolarHBondContact O-N 3.44Š|
| 13 | S | 95.1 | Very high | 93.4 | Very high | 55 Ų | 55 | 129.5 Ų | 129.5 | 39% | 0.385 | 67% | 0.668 | S | S | . | * | trans | -75.5 | 140.7 | 176.4 | 137.2 | 0 | 0 | 0 | 0 | 111.3 | G15 F16 | S13-G15 PolarHBondContact OG-N 3.17Å; S13-G15 VanDerWaalsContact OG-N 3.12Å; S13-F16 WeakPolarHBondContact OG-CD2 3.42Å; S13-F16 WeakPolarHBondContact OG-CE2 3.34Å | ||
| 14 | L | 95.6 | Very high | 93.4 | Very high | 91 Ų | 91 | 128.3 Ų | 128.3 | 48% | 0.476 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -79.9 | -22.9 | 170.8 | -80.4 | -177.4 | 0 | 0 | 0 | 113.6 | R10 F16 L17 | R10-L14 VanDerWaalsContact CZ-CD1 3.47Å; R10-L14 VanDerWaalsContact CZ-CD2 3.41Å; R10-L14 VanDerWaalsContact CZ-CG 3.41Å; L14-F16 PolarHBondContact O-N 2.85Å; L14-L17 HydrophobicContact CD2-CD1 3.52Å; L14-L17 HydrophobicContact CD2-CG 4.4Å; L14-L17 WeakPolarHBondContact O-CB 3.48Å; L14-L17 PolarHBondContact O-N 2.76Å |
| 15 | G | 95.5 | Very high | 93.4 | Very high | 69 Ų | 69 | 130.9 Ų | 130.9 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -15.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | S13 | S13-G15 PolarHBondContact OG-N 3.17Å; S13-G15 VanDerWaalsContact OG-N 3.12Å |
| 16 | F | 94.4 | Very high | 93.2 | Very high | 161 Ų | 161 | 126.8 Ų | 126.8 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 14.8 | 176.8 | -55.4 | -64.8 | 0 | 0 | 0 | 113.3 | S13 L14 P18 | S13-F16 WeakPolarHBondContact OG-CD2 3.42Å; S13-F16 WeakPolarHBondContact OG-CE2 3.34Å; L14-F16 PolarHBondContact O-N 2.85Å; F16-P18 CarbonylContact O-C 3.58Å |
| 17 | L | 93.8 | Very high | 92.9 | Very high | 104 Ų | 104 | 122.4 Ų | 122.4 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | trans | -78.9 | 140.4 | 166.9 | -66.3 | -179.7 | 0 | 0 | 0 | 109.8 | L14 R19 | L14-L17 HydrophobicContact CD2-CD1 3.52Å; L14-L17 HydrophobicContact CD2-CG 4.4Å; L14-L17 WeakPolarHBondContact O-CB 3.48Å; L14-L17 PolarHBondContact O-N 2.76Å; L17-R19 HydrophobicContact CD2-CG 4.29Å | ||
| 18 | P | 94.8 | Very high | 92.8 | Very high | 90 Ų | 90 | 123.1 Ų | 123.1 | 58% | 0.584 | 65% | 0.645 | S | S | * | * | S | Bend | cis | -79.4 | 139 | -2.8 | 30.6 | -34 | 0 | 0 | 0 | 113.3 | F16 K20 | F16-P18 CarbonylContact O-C 3.58Å; P18-K20 HydrophobicContact CB-CD 4.41Å; P18-K20 HydrophobicContact CB-CG 4.38Å; P18-K20 HydrophobicContact CG-CD 4.01Å; P18-K20 HydrophobicContact CG-CG 4.16Å; P18-K20 PolarHBondContact O-N 3.16Å |
| 19 | R | 93 | Very high | 92.5 | Very high | 186 Ų | 186 | 124.3 Ų | 124.3 | 70% | 0.702 | 65% | 0.646 | S | S | * | * | trans | -78.8 | 68.4 | 174.4 | -67.1 | -179.2 | -174.6 | 178.5 | 3.8 | 111.2 | L17 | L17-R19 HydrophobicContact CD2-CG 4.29Š| ||
| 20 | K | 96 | Very high | 92.2 | Very high | 166 Ų | 166 | 128.1 Ų | 128.1 | 72% | 0.722 | 65% | 0.652 | S | S | * | * | trans | -115.9 | 160.7 | 178.3 | 67 | -179.2 | -178.1 | -178.5 | 0 | 111.5 | P18 S22 | P18-K20 HydrophobicContact CB-CD 4.41Å; P18-K20 HydrophobicContact CB-CG 4.38Å; P18-K20 HydrophobicContact CG-CD 4.01Å; P18-K20 HydrophobicContact CG-CG 4.16Å; P18-K20 PolarHBondContact O-N 3.16Å; K20-S22 PolarHBondContact O-N 3.49Å | ||
| 21 | R | 94.7 | Very high | 92 | Very high | 234 Ų | 234 | 124.4 Ų | 124.4 | 88% | 0.883 | 65% | 0.652 | S | S | * | * | trans | -58.6 | 138.2 | 172.6 | -164.6 | 175.4 | -166.3 | 172.3 | 4.2 | 109.9 | ||||
| 22 | S | 91.4 | Very high | 91.8 | Very high | 90 Ų | 90 | 120.8 Ų | 120.8 | 63% | 0.629 | 64% | 0.635 | S | S | * | * | trans | -62.4 | 140 | 174 | 59.4 | 0 | 0 | 0 | 0 | 110.1 | K20 R24 | K20-S22 PolarHBondContact O-N 3.49Å; S22-R24 VanDerWaalsContact C-N 3.29Å; S22-R24 PolarHBondContact OG-O 3.35Å | ||
| 23 | S | 90.9 | Very high | 91.5 | Very high | 122 Ų | 122 | 122.9 Ų | 122.9 | 85% | 0.853 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -73.6 | -24.5 | 176.5 | 55.7 | 0 | 0 | 0 | 0 | 112.8 | ||
| 24 | R | 88.5 | Confident | 91.2 | Very high | 141 Ų | 141 | 129.8 Ų | 129.8 | 53% | 0.532 | 66% | 0.663 | S | S | . | * | trans | -104.9 | 142.3 | 179 | -62.3 | -178.4 | -179.6 | -158.1 | -4.1 | 109.8 | S22 R26 | S22-R24 VanDerWaalsContact C-N 3.29Å; S22-R24 PolarHBondContact OG-O 3.35Å; R24-R26 WeakPolarHBondContact CB-O 3.5Å | ||
| 25 | H | 87.5 | Confident | 90.7 | Very high | 194 Ų | 194 | 131.8 Ų | 131.8 | 90% | 0.898 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -73.5 | -31.8 | 172.5 | -72.7 | 74.5 | 0 | 0 | 0 | 111.8 | ||
| 26 | R | 87.5 | Confident | 90.3 | Very high | 102 Ų | 102 | 132.2 Ų | 132.2 | 39% | 0.385 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -99.9 | 147 | 176.7 | -58.6 | -178.9 | -172.3 | -179.2 | 0.8 | 110.4 | R24 | R24-R26 WeakPolarHBondContact CB-O 3.5Š|
| 27 | G | 87.4 | Confident | 89.9 | Confident | 81 Ų | 81 | 129.7 Ų | 129.7 | 84% | 0.835 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 136.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 28 | K | 88.8 | Confident | 89.9 | Confident | 135 Ų | 135 | 130.1 Ų | 130.1 | 59% | 0.587 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -101 | 121.4 | 173.1 | -176.7 | -171.2 | -178.6 | -176.6 | 0 | 108.7 | K30 | K28-K30 PolarHBondContact O-N 3.25Š|
| 29 | V | 89.9 | Confident | 89.6 | Confident | 76 Ų | 76 | 131.5 Ų | 131.5 | 46% | 0.461 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -68 | 121.9 | 167.5 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | S31 F32 | V29-S31 WeakPolarHBondContact CG1-O 3.28Å; V29-F32 HydrophobicContact CB-CE1 4.29Å; V29-F32 HydrophobicContact CB-CZ 4.07Å; V29-F32 HydrophobicContact CG1-CD1 4.03Å; V29-F32 HydrophobicContact CG1-CD2 4.37Å; V29-F32 HydrophobicContact CG1-CE1 3.87Å; V29-F32 HydrophobicContact CG1-CE2 4.22Å; V29-F32 HydrophobicContact CG1-CG 4.29Å; V29-F32 HydrophobicContact CG1-CZ 3.97Å |
| 30 | K | 89.2 | Confident | 89.4 | Confident | 196 Ų | 196 | 127.9 Ų | 127.9 | 85% | 0.852 | 68% | 0.679 | S | S | * | * | trans | -92.9 | -32.5 | 179.2 | -68.9 | -175.6 | -179.8 | 179.1 | 0 | 112.4 | K28 | K28-K30 PolarHBondContact O-N 3.25Š| ||
| 31 | S | 89 | Confident | 89.1 | Confident | 98 Ų | 98 | 127.5 Ų | 127.5 | 69% | 0.685 | 69% | 0.69 | S | S | * | * | trans | -137.6 | 121.4 | -176.1 | 52.2 | 0 | 0 | 0 | 0 | 108.3 | V29 | V29-S31 WeakPolarHBondContact CG1-O 3.28Š| ||
| 32 | F | 89.3 | Confident | 88.7 | Confident | 103 Ų | 103 | 121.8 Ų | 121.8 | 45% | 0.452 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -83.3 | 161.2 | 169.3 | -72.3 | -79.7 | 0 | 0 | 0 | 109.9 | V29 T44 A45 | V29-F32 HydrophobicContact CB-CE1 4.29Å; V29-F32 HydrophobicContact CB-CZ 4.07Å; V29-F32 HydrophobicContact CG1-CD1 4.03Å; V29-F32 HydrophobicContact CG1-CD2 4.37Å; V29-F32 HydrophobicContact CG1-CE1 3.87Å; V29-F32 HydrophobicContact CG1-CE2 4.22Å; V29-F32 HydrophobicContact CG1-CG 4.29Å; V29-F32 HydrophobicContact CG1-CZ 3.97Å; F32-T44 WeakPolarHBondContact CD1-OG1 3.38Å; F32-A45 HydrophobicContact CE1-CB 4.06Å |
| 33 | P | 89.9 | Confident | 88.5 | Confident | 87 Ų | 87 | 122.8 Ų | 122.8 | 57% | 0.565 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 151.2 | 168.1 | 26.2 | -35.2 | 0 | 0 | 0 | 110.4 | T44 | P33-T44 HydrophobicContact CG-CG2 3.71Š|
| 34 | K | 87.4 | Confident | 88.3 | Confident | 200 Ų | 200 | 120.7 Ų | 120.7 | 87% | 0.87 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -67 | 144.9 | 174.3 | -66.2 | -176.5 | 178.6 | -177 | 0 | 109.5 | ||
| 35 | D | 85 | Confident | 88.3 | Confident | 133 Ų | 133 | 116.2 Ų | 116.2 | 71% | 0.711 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 138.1 | -177.7 | -161.4 | 8.5 | 0 | 0 | 0 | 111.3 | ||
| 36 | D | 87.9 | Confident | 88.3 | Confident | 78 Ų | 78 | 112.2 Ų | 112.2 | 42% | 0.417 | 63% | 0.626 | S | S | . | * | trans | -123.2 | 101.8 | 177.5 | -72.3 | -29.3 | 0 | 0 | 0 | 108 | S38 K39 | D36-S38 PolarHBondContact O-N 3.31Å; D36-K39 HydrophobicContact CB-CD 4.05Å; D36-K39 HydrophobicContact CB-CG 4.33Å; D36-K39 PolarHBondContact O-N 3.2Å; D36-K39 WeakPolarHBondContact OD2-CE 3.48Å; D36-K39 IonicContact OD2-NZ 2.7Å; D36-K39 PolarHBondContact OD2-NZ 3.22Å | ||
| 37 | A | 86.6 | Confident | 88.4 | Confident | 107 Ų | 107 | 109.9 Ų | 109.9 | 88% | 0.884 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -12.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K39 | A37-K39 VanDerWaalsContact C-N 3.35Š|
| 38 | S | 92.4 | Very high | 88.5 | Confident | 114 Ų | 114 | 107.9 Ų | 107.9 | 80% | 0.797 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -20.2 | 176.2 | 58.4 | 0 | 0 | 0 | 0 | 113.4 | D36 | D36-S38 PolarHBondContact O-N 3.31Š|
| 39 | K | 88.8 | Confident | 88.6 | Confident | 118 Ų | 118 | 106.1 Ų | 106.1 | 51% | 0.513 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -91 | 151.3 | -177.4 | -68.5 | 175 | -174.7 | 157.9 | 0 | 110.5 | D36 A37 | D36-K39 HydrophobicContact CB-CD 4.05Å; D36-K39 HydrophobicContact CB-CG 4.33Å; D36-K39 PolarHBondContact O-N 3.2Å; D36-K39 WeakPolarHBondContact OD2-CE 3.48Å; D36-K39 IonicContact OD2-NZ 2.7Å; D36-K39 PolarHBondContact OD2-NZ 3.22Å; A37-K39 VanDerWaalsContact C-N 3.35Å |
| 40 | P | 90.4 | Very high | 88.8 | Confident | 111 Ų | 111 | 109.3 Ų | 109.3 | 72% | 0.721 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -64 | 153.2 | 172.9 | 28.4 | -34.8 | 0 | 0 | 0 | 111 | H42 | P40-H42 PolarHBondContact O-N 3.09Å; P40-H42 PolarHBondContact O-ND1 2.94Å |
| 41 | V | 88.2 | Confident | 89 | Confident | 158 Ų | 158 | 102.6 Ų | 102.6 | 96% | 0.958 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 124.9 | 177.2 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 42 | H | 86.5 | Confident | 89.4 | Confident | 114 Ų | 114 | 99.1 Ų | 99.1 | 53% | 0.528 | 56% | 0.559 | S | S | . | * | trans | -139.3 | 151.4 | 179.2 | 59.1 | -80.3 | 0 | 0 | 0 | 110.9 | P40 | P40-H42 PolarHBondContact O-N 3.09Å; P40-H42 PolarHBondContact O-ND1 2.94Å | ||
| 43 | L | 86.8 | Confident | 89.7 | Confident | 110 Ų | 110 | 99.6 Ų | 99.6 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | trans | -77.9 | 134.7 | 174.2 | -63.5 | 176.8 | 0 | 0 | 0 | 109.7 | P155 | L43-P155 HydrophobicContact CD2-CG 3.68Š| ||
| 44 | T | 87.8 | Confident | 90 | Very high | 78 Ų | 78 | 98.8 Ų | 98.8 | 48% | 0.479 | 56% | 0.557 | S | S | . | * | trans | -99.6 | -11.8 | -173.7 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | F32 P33 | F32-T44 WeakPolarHBondContact CD1-OG1 3.38Å; P33-T44 HydrophobicContact CG-CG2 3.71Å | ||
| 45 | A | 87.8 | Confident | 90.5 | Very high | 47 Ų | 47 | 95.7 Ų | 95.7 | 39% | 0.388 | 55% | 0.546 | S | S | . | . | trans | -142 | 146.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F32 | F32-A45 HydrophobicContact CE1-CB 4.06Š| ||
| 46 | F | 88.8 | Confident | 90.9 | Very high | 110 Ų | 110 | 93.3 Ų | 93.3 | 48% | 0.482 | 53% | 0.532 | S | S | . | . | trans | -134.5 | 150.9 | 177.3 | -159.9 | -86.1 | 0 | 0 | 0 | 110.6 | T81 P82 M84 | F46-T81 HydrophobicContact CD1-CG2 3.69Å; F46-T81 HydrophobicContact CE1-CG2 3.62Å; F46-P82 VanDerWaalsContact CZ-O 3.25Å; F46-P82 WeakPolarHBondContact CZ-O 2.97Å; F46-M84 HydrophobicContact CD1-SD 4.49Å; F46-M84 HydrophobicContact CD2-CE 3.35Å; F46-M84 HydrophobicContact CD2-CG 4.43Å; F46-M84 HydrophobicContact CD2-SD 4.03Å; F46-M84 HydrophobicContact CE1-CG 4.32Å; F46-M84 HydrophobicContact CE1-SD 4.39Å; F46-M84 HydrophobicContact CE2-CE 3.58Å; F46-M84 HydrophobicContact CE2-CG 3.79Å; F46-M84 HydrophobicContact CE2-SD 4.01Å; F46-M84 HydrophobicContact CG-CE 4.01Å; F46-M84 HydrophobicContact CG-SD 4.29Å; F46-M84 HydrophobicContact CZ-CE 4.36Å; F46-M84 HydrophobicContact CZ-CG 3.73Å; F46-M84 HydrophobicContact CZ-SD 4.19Å | ||
| 47 | L | 87.8 | Confident | 91.3 | Very high | 54 Ų | 54 | 93.4 Ų | 93.4 | 28% | 0.283 | 54% | 0.535 | S | S | . | . | trans | -100.5 | 115.4 | 174.4 | -79.4 | 166.7 | 0 | 0 | 0 | 110.3 | M84 P159 | L47-M84 HydrophobicContact CB-SD 4.06Å; L47-P159 HydrophobicContact CD1-CG 4.13Å | ||
| 48 | G | 91.1 | Very high | 91.5 | Very high | 38 Ų | 38 | 93.6 Ų | 93.6 | 39% | 0.392 | 51% | 0.513 | S | S | . | . | trans | -116.6 | 154 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E80 | G48-E80 CarbonylContact C-O 3.55Å; G48-E80 WeakPolarHBondContact CA-O 3.33Å | ||
| 49 | Y | 90.4 | Very high | 91.4 | Very high | 98 Ų | 98 | 95 Ų | 95 | 38% | 0.384 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.5 | 174.8 | -63.3 | -87 | 0 | 0 | 0 | 109.3 | A51 V79 E80 P82 | Y49-A51 PolarHBondContact O-N 2.87Å; Y49-V79 CarbonylContact O-C 3.37Å; Y49-V79 WeakPolarHBondContact O-CA 3.37Å; Y49-E80 PolarHBondContact N-O 2.94Å; Y49-E80 PolarHBondContact O-N 3.45Å; Y49-P82 HydrophobicContact CD2-CG 4.17Å; Y49-P82 HydrophobicContact CE2-CG 4.08Å |
| 50 | K | 93.9 | Very high | 91.5 | Very high | 144 Ų | 144 | 89.8 Ų | 89.8 | 63% | 0.626 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 115.1 | 178.5 | -175 | 177.9 | -179.2 | 179.3 | 0 | 109.1 | M53 | K50-M53 PolarHBondContact NZ-SD 3.04Å |
| 51 | A | 94.1 | Very high | 91.4 | Very high | 54 Ų | 54 | 90.8 Ų | 90.8 | 45% | 0.446 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -37.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y49 I78 E80 | Y49-A51 PolarHBondContact O-N 2.87Å; A51-I78 HydrophobicContact CB-CG2 4.34Å; A51-I78 PolarHBondContact N-O 3.13Å; A51-E80 HydrophobicContact CB-CB 4.45Å; A51-E80 HydrophobicContact CB-CG 3.74Å |
| 52 | G | 95.5 | Very high | 91.5 | Very high | 26 Ų | 26 | 90.2 Ų | 90.2 | 27% | 0.268 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -179 | -170.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I78 | G52-I78 PolarHBondContact N-O 2.8Å; G52-I78 PolarHBondContact O-N 2.9Å |
| 53 | M | 97.4 | Very high | 91.5 | Very high | 112 Ų | 112 | 90.4 Ų | 90.4 | 55% | 0.552 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 136.6 | 173.7 | -75.7 | -179 | 50.1 | 0 | 0 | 109.6 | K50 V76 T77 | K50-M53 PolarHBondContact NZ-SD 3.04Å; M53-V76 WeakPolarHBondContact CA-O 2.97Å; M53-T77 HydrophobicContact CG-CG2 3.63Å; M53-T77 HydrophobicContact SD-CG2 3.88Å |
| 54 | T | 95.8 | Very high | 91.6 | Very high | 70 Ų | 70 | 89.4 Ų | 89.4 | 43% | 0.429 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 174.3 | 176.1 | 56.4 | 0 | 0 | 0 | 0 | 109.4 | V76 I78 | T54-V76 PolarHBondContact N-O 3.4Å; T54-V76 PolarHBondContact O-N 3.07Å; T54-V76 VanDerWaalsContact O-O 3.07Å; T54-I78 HydrophobicContact CG2-CD1 3.8Å |
| 55 | H | 96.5 | Very high | 91.7 | Very high | 135 Ų | 135 | 87.6 Ų | 87.6 | 63% | 0.625 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 142.2 | 168.9 | 58.2 | -87.1 | 0 | 0 | 0 | 109.1 | V73 E74 | H55-V73 HydrophobicContact CB-CG1 3.66Å; H55-E74 CarbonylContact C-O 3.49Å; H55-E74 VanDerWaalsContact CA-O 3.28Å; H55-E74 WeakPolarHBondContact CA-O 3.4Å |
| 56 | I | 95.1 | Very high | 91.7 | Very high | 84 Ų | 84 | 94.7 Ų | 94.7 | 43% | 0.431 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.6 | 175.8 | -57.6 | -175.4 | 0 | 0 | 0 | 107.5 | V73 E74 V76 | I56-V73 WeakPolarHBondContact O-CA 3.13Å; I56-E74 PolarHBondContact N-O 2.88Å; I56-E74 PolarHBondContact O-N 2.86Å; I56-V76 HydrophobicContact CB-CG2 4.25Å; I56-V76 HydrophobicContact CD1-CB 4.05Å; I56-V76 HydrophobicContact CD1-CG1 4.18Å; I56-V76 HydrophobicContact CD1-CG2 3.74Å; I56-V76 HydrophobicContact CG1-CB 4.22Å; I56-V76 HydrophobicContact CG1-CG2 3.86Å |
| 57 | V | 94.8 | Very high | 91.7 | Very high | 79 Ų | 79 | 92.6 Ų | 92.6 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 120 | 167.4 | -172.8 | 0 | 0 | 0 | 0 | 107 | E71 V73 | V57-E71 HydrophobicContact CG1-CB 3.78Å; V57-E71 HydrophobicContact CG1-CG 4.1Å; V57-V73 HydrophobicContact CG2-CG2 4.32Å |
| 58 | R | 92.3 | Very high | 91.7 | Very high | 111 Ų | 111 | 92.2 Ų | 92.2 | 42% | 0.419 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 149.7 | 172.7 | 71 | 173.1 | -173.9 | 179 | -7.4 | 111 | V72 E74 | R58-V72 PolarHBondContact N-O 2.73Å; R58-V72 VanDerWaalsContact N-O 3.09Å; R58-V72 PolarHBondContact O-N 2.75Å; R58-E74 VanDerWaalsContact CZ-CD 3.42Å; R58-E74 IonicContact CZ-OE1 3.17Å; R58-E74 IonicContact CZ-OE2 2.99Å; R58-E74 IonicContact NE-OE1 2.86Å; R58-E74 PolarHBondContact NE-OE1 3.38Å; R58-E74 IonicContact NE-OE2 2.87Å; R58-E74 PolarHBondContact NE-OE2 2.7Å; R58-E74 IonicContact NH1-OE2 3.88Å; R58-E74 IonicContact NH2-OE1 2.73Å; R58-E74 PolarHBondContact NH2-OE1 2.82Å; R58-E74 IonicContact NH2-OE2 3.04Å; R58-E74 PolarHBondContact NH2-OE2 2.7Å |
| 59 | E | 90.4 | Very high | 91.5 | Very high | 144 Ų | 144 | 98.5 Ų | 98.5 | 67% | 0.673 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 131 | 165.9 | -66.2 | -176.9 | -171.5 | 0 | 0 | 109.7 | E71 | E59-E71 HydrophobicContact CG-CG 4.43Å |
| 60 | V | 89.1 | Confident | 91.5 | Very high | 8 Ų | 8 | 99.8 Ų | 99.8 | 5% | 0.048 | 52% | 0.524 | C | S | . | . | trans | -92.9 | 118.6 | 179.2 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | R62 V67 N68 K69 K70 V72 | V60-R62 HydrophobicContact CG1-CB 4.12Å; V60-R62 HydrophobicContact CG1-CG 3.81Å; V60-V67 HydrophobicContact CG1-CG2 4.34Å; V60-N68 PolarHBondContact O-OD1 2.86Å; V60-K69 PolarHBondContact O-N 3Å; V60-K70 PolarHBondContact N-O 3.38Å; V60-K70 VanDerWaalsContact N-O 3.16Å; V60-V72 HydrophobicContact CG2-CB 3.77Å; V60-V72 HydrophobicContact CG2-CG2 3.56Å | ||
| 61 | D | 89.4 | Confident | 91.3 | Very high | 133 Ų | 133 | 99.9 Ų | 99.9 | 71% | 0.711 | 53% | 0.527 | S | S | * | . | trans | -104.6 | 89.6 | 171 | -165.4 | 10.6 | 0 | 0 | 0 | 110.6 | ||||
| 62 | R | 89.2 | Confident | 91.1 | Very high | 146 Ų | 146 | 99.3 Ų | 99.3 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | trans | -137.7 | 96 | 176.2 | -67.8 | -176.5 | -171.2 | 174.1 | 6.1 | 109 | V60 G64 S65 N68 | V60-R62 HydrophobicContact CG1-CB 4.12Å; V60-R62 HydrophobicContact CG1-CG 3.81Å; R62-G64 PolarHBondContact O-N 3Å; R62-S65 WeakPolarHBondContact O-CB 3.25Å; R62-S65 PolarHBondContact O-N 2.93Å; R62-S65 VanDerWaalsContact O-N 3.17Å; R62-S65 PolarHBondContact O-OG 3.05Å; R62-N68 PolarHBondContact N-OD1 2.91Å; R62-N68 PolarHBondContact O-OD1 3.45Å; R62-N68 VanDerWaalsContact O-OD1 3.11Å | ||
| 63 | P | 88.2 | Confident | 91 | Very high | 117 Ų | 117 | 102.8 Ų | 102.8 | 76% | 0.76 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 136 | -179.3 | 24.4 | -33 | 0 | 0 | 0 | 110.9 | N68 | P63-N68 WeakPolarHBondContact CA-ND2 3.07Š|
| 64 | G | 88.8 | Confident | 90.8 | Very high | 90 Ų | 90 | 100 Ų | 100 | 93% | 0.928 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | -5.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R62 | R62-G64 PolarHBondContact O-N 3Š|
| 65 | S | 90.3 | Very high | 90.8 | Very high | 39 Ų | 39 | 100.6 Ų | 100.6 | 27% | 0.273 | 53% | 0.531 | S | S | . | . | trans | -90.1 | 147.5 | 174.7 | 73.6 | 0 | 0 | 0 | 0 | 112.7 | R62 V67 N68 | R62-S65 WeakPolarHBondContact O-CB 3.25Å; R62-S65 PolarHBondContact O-N 2.93Å; R62-S65 VanDerWaalsContact O-N 3.17Å; R62-S65 PolarHBondContact O-OG 3.05Å; S65-V67 PolarHBondContact O-N 3.26Å; S65-N68 WeakPolarHBondContact O-CB 3.38Å; S65-N68 PolarHBondContact O-N 2.82Å; S65-N68 PolarHBondContact OG-N 2.78Å | ||
| 66 | K | 87.7 | Confident | 90.7 | Very high | 196 Ų | 196 | 96.7 Ų | 96.7 | 85% | 0.852 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16.9 | 174.6 | -68.9 | -175.2 | 178.6 | -178.5 | 0 | 113.8 | K70 | K66-K70 PolarHBondContact O-NZ 2.94Š|
| 67 | V | 87.8 | Confident | 90.8 | Very high | 67 Ų | 67 | 96.3 Ų | 96.3 | 41% | 0.406 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 9.7 | -178 | -66 | 0 | 0 | 0 | 0 | 112.3 | V60 S65 K69 K70 V72 | V60-V67 HydrophobicContact CG1-CG2 4.34Å; S65-V67 PolarHBondContact O-N 3.26Å; V67-K69 PolarHBondContact O-N 2.8Å; V67-K70 PolarHBondContact O-N 2.86Å; V67-V72 HydrophobicContact CB-CG2 4.35Å |
| 68 | N | 87.9 | Confident | 90.8 | Very high | 45 Ų | 45 | 96.4 Ų | 96.4 | 24% | 0.241 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 134.9 | -178.5 | -151.7 | 24.7 | 0 | 0 | 0 | 111.1 | V60 R62 P63 S65 K70 | V60-N68 PolarHBondContact O-OD1 2.86Å; R62-N68 PolarHBondContact N-OD1 2.91Å; R62-N68 PolarHBondContact O-OD1 3.45Å; R62-N68 VanDerWaalsContact O-OD1 3.11Å; P63-N68 WeakPolarHBondContact CA-ND2 3.07Å; S65-N68 WeakPolarHBondContact O-CB 3.38Å; S65-N68 PolarHBondContact O-N 2.82Å; S65-N68 PolarHBondContact OG-N 2.78Å; N68-K70 PolarHBondContact O-N 3.23Å |
| 69 | K | 87.3 | Confident | 90.9 | Very high | 170 Ų | 170 | 94.6 Ų | 94.6 | 74% | 0.739 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 29.9 | -176.3 | -53.9 | -177.9 | 177.9 | -175.7 | 0 | 114 | V60 V67 | V60-K69 PolarHBondContact O-N 3Å; V67-K69 PolarHBondContact O-N 2.8Å |
| 70 | K | 89.2 | Confident | 91 | Very high | 125 Ų | 125 | 93.8 Ų | 93.8 | 54% | 0.543 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -117.2 | 150.7 | 172.1 | -65.9 | 179.8 | -177.3 | 167.5 | 0 | 109.8 | V60 K66 V67 N68 | V60-K70 PolarHBondContact N-O 3.38Å; V60-K70 VanDerWaalsContact N-O 3.16Å; K66-K70 PolarHBondContact O-NZ 2.94Å; V67-K70 PolarHBondContact O-N 2.86Å; N68-K70 PolarHBondContact O-N 3.23Å |
| 71 | E | 90.3 | Very high | 91 | Very high | 146 Ų | 146 | 97.3 Ų | 97.3 | 68% | 0.682 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 127.4 | 172.6 | -67.4 | 178.3 | -167 | 0 | 0 | 110.1 | V57 E59 | V57-E71 HydrophobicContact CG1-CB 3.78Å; V57-E71 HydrophobicContact CG1-CG 4.1Å; E59-E71 HydrophobicContact CG-CG 4.43Å |
| 72 | V | 90.9 | Very high | 90.9 | Very high | 43 Ų | 43 | 92 Ų | 92 | 26% | 0.261 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135.6 | 174.6 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | R58 V60 V67 E74 | R58-V72 PolarHBondContact N-O 2.73Å; R58-V72 VanDerWaalsContact N-O 3.09Å; R58-V72 PolarHBondContact O-N 2.75Å; V60-V72 HydrophobicContact CG2-CB 3.77Å; V60-V72 HydrophobicContact CG2-CG2 3.56Å; V67-V72 HydrophobicContact CB-CG2 4.35Å; V72-E74 HydrophobicContact CG1-CG 4.18Å |
| 73 | V | 93.6 | Very high | 90.7 | Very high | 98 Ų | 98 | 89 Ų | 89 | 59% | 0.594 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 114.8 | 174 | -174 | 0 | 0 | 0 | 0 | 108.7 | H55 I56 V57 | H55-V73 HydrophobicContact CB-CG1 3.66Å; I56-V73 WeakPolarHBondContact O-CA 3.13Å; V57-V73 HydrophobicContact CG2-CG2 4.32Å |
| 74 | E | 92.4 | Very high | 90.4 | Very high | 53 Ų | 53 | 85.3 Ų | 85.3 | 25% | 0.248 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 136.4 | 177.6 | -67.5 | -172.6 | -170.5 | 0 | 0 | 111.3 | H55 I56 R58 V72 | H55-E74 CarbonylContact C-O 3.49Å; H55-E74 VanDerWaalsContact CA-O 3.28Å; H55-E74 WeakPolarHBondContact CA-O 3.4Å; I56-E74 PolarHBondContact N-O 2.88Å; I56-E74 PolarHBondContact O-N 2.86Å; R58-E74 VanDerWaalsContact CZ-CD 3.42Å; R58-E74 IonicContact CZ-OE1 3.17Å; R58-E74 IonicContact CZ-OE2 2.99Å; R58-E74 IonicContact NE-OE1 2.86Å; R58-E74 PolarHBondContact NE-OE1 3.38Å; R58-E74 IonicContact NE-OE2 2.87Å; R58-E74 PolarHBondContact NE-OE2 2.7Å; R58-E74 IonicContact NH1-OE2 3.88Å; R58-E74 IonicContact NH2-OE1 2.73Å; R58-E74 PolarHBondContact NH2-OE1 2.82Å; R58-E74 IonicContact NH2-OE2 3.04Å; R58-E74 PolarHBondContact NH2-OE2 2.7Å; V72-E74 HydrophobicContact CG1-CG 4.18Å |
| 75 | A | 95.1 | Very high | 90.1 | Very high | 84 Ų | 84 | 83.6 Ų | 83.6 | 69% | 0.694 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 127.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 76 | V | 95.8 | Very high | 89.8 | Confident | 52 Ų | 52 | 85.1 Ų | 85.1 | 32% | 0.315 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138.6 | -179 | -178.7 | 0 | 0 | 0 | 0 | 110 | M53 T54 I56 | M53-V76 WeakPolarHBondContact CA-O 2.97Å; T54-V76 PolarHBondContact N-O 3.4Å; T54-V76 PolarHBondContact O-N 3.07Å; T54-V76 VanDerWaalsContact O-O 3.07Å; I56-V76 HydrophobicContact CB-CG2 4.25Å; I56-V76 HydrophobicContact CD1-CB 4.05Å; I56-V76 HydrophobicContact CD1-CG1 4.18Å; I56-V76 HydrophobicContact CD1-CG2 3.74Å; I56-V76 HydrophobicContact CG1-CB 4.22Å; I56-V76 HydrophobicContact CG1-CG2 3.86Å |
| 77 | T | 96.4 | Very high | 89.5 | Confident | 77 Ų | 77 | 76.2 Ų | 76.2 | 47% | 0.472 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126.1 | 173.8 | 53 | 0 | 0 | 0 | 0 | 109.9 | M53 | M53-T77 HydrophobicContact CG-CG2 3.63Å; M53-T77 HydrophobicContact SD-CG2 3.88Å |
| 78 | I | 95.2 | Very high | 89.3 | Confident | 81 Ų | 81 | 73.4 Ų | 73.4 | 42% | 0.415 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 122.3 | 174.6 | -56.4 | 174.8 | 0 | 0 | 0 | 108.4 | A51 G52 T54 | A51-I78 HydrophobicContact CB-CG2 4.34Å; A51-I78 PolarHBondContact N-O 3.13Å; G52-I78 PolarHBondContact N-O 2.8Å; G52-I78 PolarHBondContact O-N 2.9Å; T54-I78 HydrophobicContact CG2-CD1 3.8Å |
| 79 | V | 94.4 | Very high | 89.1 | Confident | 72 Ų | 72 | 74.7 Ų | 74.7 | 44% | 0.436 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 116.4 | 178.8 | 179.5 | 0 | 0 | 0 | 0 | 108.4 | Y49 T81 | Y49-V79 CarbonylContact O-C 3.37Å; Y49-V79 WeakPolarHBondContact O-CA 3.37Å; V79-T81 HydrophobicContact CG1-CG2 4.22Å |
| 80 | E | 91.8 | Very high | 89 | Confident | 127 Ų | 127 | 67.4 Ų | 67.4 | 59% | 0.593 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 126.6 | 173.8 | -79.8 | 176.7 | -166 | 0 | 0 | 110.3 | G48 Y49 A51 P82 | G48-E80 CarbonylContact C-O 3.55Å; G48-E80 WeakPolarHBondContact CA-O 3.33Å; Y49-E80 PolarHBondContact N-O 2.94Å; Y49-E80 PolarHBondContact O-N 3.45Å; A51-E80 HydrophobicContact CB-CB 4.45Å; A51-E80 HydrophobicContact CB-CG 3.74Å; E80-P82 WeakPolarHBondContact O-CD 3.34Å |
| 81 | T | 90.1 | Very high | 88.8 | Confident | 82 Ų | 82 | 61.9 Ų | 61.9 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | trans | -122.4 | 84 | -175.2 | 48.7 | 0 | 0 | 0 | 0 | 109.3 | F46 V79 | F46-T81 HydrophobicContact CD1-CG2 3.69Å; F46-T81 HydrophobicContact CE1-CG2 3.62Å; V79-T81 HydrophobicContact CG1-CG2 4.22Å | ||
| 82 | P | 87.1 | Confident | 88.6 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 14% | 0.143 | 34% | 0.341 | C | S | . | . | trans | -64.1 | 147.6 | 174.8 | 26.7 | -33.3 | 0 | 0 | 0 | 110.1 | F46 Y49 E80 T161 | F46-P82 VanDerWaalsContact CZ-O 3.25Å; F46-P82 WeakPolarHBondContact CZ-O 2.97Å; Y49-P82 HydrophobicContact CD2-CG 4.17Å; Y49-P82 HydrophobicContact CE2-CG 4.08Å; E80-P82 WeakPolarHBondContact O-CD 3.34Å; P82-T161 HydrophobicContact CB-CG2 3.63Å; P82-T161 WeakPolarHBondContact CB-OG1 3.41Å; P82-T161 HydrophobicContact CG-CG2 4.44Å; P82-T161 WeakPolarHBondContact CG-OG1 3.45Å | ||
| 83 | P | 84.8 | Confident | 88.4 | Confident | 84 Ų | 84 | 58 Ų | 58 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | trans | -59.5 | 149.4 | -178.8 | 27.5 | -35.4 | 0 | 0 | 0 | 110.6 | L160 | P83-L160 HydrophobicContact CB-CD1 3.67Å; P83-L160 HydrophobicContact CG-CB 4.48Å; P83-L160 HydrophobicContact CG-CD1 3.59Å; P83-L160 WeakPolarHBondContact O-CB 2.99Å; P83-L160 PolarHBondContact O-N 3.04Å | ||
| 84 | M | 82.8 | Confident | 88 | Confident | 38 Ų | 38 | 60.3 Ų | 60.3 | 19% | 0.187 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 140.5 | -176.8 | -55.7 | -168.4 | -57.7 | 0 | 0 | 111.5 | F46 L47 C157 L158 P159 | F46-M84 HydrophobicContact CD1-SD 4.49Å; F46-M84 HydrophobicContact CD2-CE 3.35Å; F46-M84 HydrophobicContact CD2-CG 4.43Å; F46-M84 HydrophobicContact CD2-SD 4.03Å; F46-M84 HydrophobicContact CE1-CG 4.32Å; F46-M84 HydrophobicContact CE1-SD 4.39Å; F46-M84 HydrophobicContact CE2-CE 3.58Å; F46-M84 HydrophobicContact CE2-CG 3.79Å; F46-M84 HydrophobicContact CE2-SD 4.01Å; F46-M84 HydrophobicContact CG-CE 4.01Å; F46-M84 HydrophobicContact CG-SD 4.29Å; F46-M84 HydrophobicContact CZ-CE 4.36Å; F46-M84 HydrophobicContact CZ-CG 3.73Å; F46-M84 HydrophobicContact CZ-SD 4.19Å; L47-M84 HydrophobicContact CB-SD 4.06Å; M84-C157 HydrophobicContact CE-CB 3.95Å; M84-C157 HydrophobicContact SD-CB 4.32Å; M84-L158 CarbonylContact C-O 3.5Å; M84-L158 WeakPolarHBondContact CA-O 3.33Å; M84-P159 HydrophobicContact CG-CB 4.41Å |
| 85 | V | 82.4 | Confident | 87.8 | Confident | 54 Ų | 54 | 60.1 Ų | 60.1 | 33% | 0.327 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.5 | 165.8 | -166.9 | 0 | 0 | 0 | 0 | 109.9 | V87 L158 L160 | V85-V87 HydrophobicContact CB-CG2 4.38Å; V85-V87 HydrophobicContact CG1-CG2 4.26Å; V85-L158 PolarHBondContact N-O 2.87Å; V85-L158 PolarHBondContact O-N 2.81Å; V85-L160 HydrophobicContact CB-CG 4.46Å; V85-L160 HydrophobicContact CG2-CB 4.32Å; V85-L160 HydrophobicContact CG2-CD1 4.1Å; V85-L160 HydrophobicContact CG2-CD2 3.03Å; V85-L160 HydrophobicContact CG2-CG 3.21Å |
| 86 | V | 81.9 | Confident | 87.5 | Confident | 71 Ų | 71 | 63 Ų | 63 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 121.6 | 167.4 | -171.7 | 0 | 0 | 0 | 0 | 108.7 | P155 | V86-P155 HydrophobicContact CG1-CB 3.87Å |
| 87 | V | 82.9 | Confident | 87.1 | Confident | 9 Ų | 9 | 72.2 Ų | 72.2 | 6% | 0.055 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -16.3 | -173.4 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | V85 F106 A107 I110 V156 L158 | V85-V87 HydrophobicContact CB-CG2 4.38Å; V85-V87 HydrophobicContact CG1-CG2 4.26Å; V87-F106 HydrophobicContact CG1-CD1 4.43Å; V87-A107 PolarHBondContact O-N 3.16Å; V87-I110 HydrophobicContact CG1-CG1 4.2Å; V87-I110 HydrophobicContact CG1-CG2 4.11Å; V87-V156 PolarHBondContact N-O 2.75Å; V87-L158 HydrophobicContact CB-CD1 3.67Å; V87-L158 HydrophobicContact CG1-CD1 4.45Å; V87-L158 HydrophobicContact CG2-CB 4.18Å; V87-L158 HydrophobicContact CG2-CD1 3.57Å; V87-L158 HydrophobicContact CG2-CG 4.35Å |
| 88 | G | 82.9 | Confident | 86.7 | Confident | 8 Ų | 8 | 70.4 Ų | 70.4 | 8% | 0.082 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | 175.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V105 V156 | G88-V105 CarbonylContact C-O 3.54Å; G88-V105 WeakPolarHBondContact CA-O 3.42Å; G88-V156 PolarHBondContact O-N 3.44Å |
| 89 | I | 84.3 | Confident | 86.3 | Confident | 72 Ų | 72 | 71.3 Ų | 71.3 | 37% | 0.369 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138 | 177.9 | -57.1 | 171.8 | 0 | 0 | 0 | 108.2 | T104 V105 M153 | I89-T104 CarbonylContact O-C 3.46Å; I89-T104 WeakPolarHBondContact O-CA 3.26Å; I89-V105 PolarHBondContact N-O 2.86Å; I89-V105 PolarHBondContact O-N 2.83Å; I89-M153 HydrophobicContact CG2-CB 3.96Å; I89-M153 HydrophobicContact CG2-CE 4.24Å; I89-M153 HydrophobicContact CG2-CG 4.43Å |
| 90 | V | 84.4 | Confident | 85.9 | Confident | 18 Ų | 18 | 76.3 Ų | 76.3 | 11% | 0.109 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.1 | 174.7 | 177.9 | 0 | 0 | 0 | 0 | 107.9 | Y92 T101 T104 V154 V156 | V90-Y92 HydrophobicContact CB-CE2 4.25Å; V90-Y92 HydrophobicContact CG1-CD2 4.2Å; V90-Y92 HydrophobicContact CG1-CE2 3.66Å; V90-T101 HydrophobicContact CG1-CG2 4.18Å; V90-T104 HydrophobicContact CB-CG2 4.33Å; V90-T104 HydrophobicContact CG1-CG2 4.11Å; V90-T104 HydrophobicContact CG2-CG2 3.71Å; V90-V154 PolarHBondContact N-O 3.37Å; V90-V154 PolarHBondContact O-N 3.38Å; V90-V156 HydrophobicContact CB-CG2 4.36Å; V90-V156 HydrophobicContact CG2-CG2 3.31Å |
| 91 | G | 85.4 | Confident | 85.5 | Confident | 8 Ų | 8 | 74 Ų | 74 | 8% | 0.082 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 133.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F102 K103 | G91-F102 PolarHBondContact O-N 3.37Å; G91-K103 PolarHBondContact N-O 3.2Å |
| 92 | Y | 85.7 | Confident | 85.1 | Confident | 74 Ų | 74 | 76.6 Ų | 76.6 | 29% | 0.29 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 138.8 | 170.9 | -71.3 | -86.5 | 0 | 0 | 0 | 110.8 | V90 L99 R100 T101 P151 Q152 V154 | V90-Y92 HydrophobicContact CB-CE2 4.25Å; V90-Y92 HydrophobicContact CG1-CD2 4.2Å; V90-Y92 HydrophobicContact CG1-CE2 3.66Å; Y92-L99 HydrophobicContact CD1-CB 4.31Å; Y92-R100 WeakPolarHBondContact CA-O 3.36Å; Y92-T101 HydrophobicContact CD1-CG2 4.1Å; Y92-T101 HydrophobicContact CE1-CG2 3.4Å; Y92-T101 VanDerWaalsContact CE1-CG2 3.4Å; Y92-P151 CarbonylContact O-C 3.56Å; Y92-P151 VanDerWaalsContact O-CA 3.26Å; Y92-P151 WeakPolarHBondContact O-CA 3.44Å; Y92-P151 WeakPolarHBondContact O-CB 3.42Å; Y92-Q152 PolarHBondContact N-O 3.41Å; Y92-Q152 PolarHBondContact O-N 2.63Å; Y92-V154 HydrophobicContact CD2-CB 4.4Å; Y92-V154 HydrophobicContact CD2-CG2 3.89Å; Y92-V154 HydrophobicContact CE2-CB 4.15Å; Y92-V154 HydrophobicContact CE2-CG2 3.95Å |
| 93 | V | 86.4 | Confident | 84.8 | Confident | 33 Ų | 33 | 82.2 Ų | 82.2 | 20% | 0.2 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 138.1 | 174.9 | 172.8 | 0 | 0 | 0 | 0 | 108.9 | T95 R100 F102 P151 | V93-T95 PolarHBondContact O-N 3.17Å; V93-R100 PolarHBondContact N-O 2.85Å; V93-R100 PolarHBondContact O-N 3.22Å; V93-F102 HydrophobicContact CG2-CB 3.74Å; V93-F102 HydrophobicContact CG2-CD2 3.89Å; V93-F102 HydrophobicContact CG2-CG 3.89Å; V93-P151 HydrophobicContact CG2-CB 4.21Å |
| 94 | E | 85.1 | Confident | 84.5 | Confident | 147 Ų | 147 | 82 Ų | 82 | 69% | 0.687 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 120.6 | 174.4 | -69.7 | -176.9 | -179.8 | 0 | 0 | 109.9 | L99 | E94-L99 HydrophobicContact CB-CD2 4.49Å; E94-L99 HydrophobicContact CG-CD2 3.55Å |
| 95 | T | 88.1 | Confident | 84.4 | Confident | 50 Ų | 50 | 83.6 Ų | 83.6 | 31% | 0.307 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 158.9 | 172 | 72.9 | 0 | 0 | 0 | 0 | 108.3 | V93 R97 G98 R100 | V93-T95 PolarHBondContact O-N 3.17Å; T95-R97 PolarHBondContact O-N 3.32Å; T95-G98 WeakPolarHBondContact CA-O 3.07Å; T95-G98 WeakPolarHBondContact CB-O 3.36Å; T95-G98 PolarHBondContact N-O 3.03Å; T95-G98 PolarHBondContact O-N 3.32Å; T95-G98 VanDerWaalsContact O-O 3.14Å; T95-G98 PolarHBondContact OG1-O 3.27Å; T95-R100 HydrophobicContact CG2-CB 3.94Å |
| 96 | P | 89.8 | Confident | 84.4 | Confident | 144 Ų | 144 | 84 Ų | 84 | 94% | 0.935 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -15.6 | 179.3 | 22.8 | -34.9 | 0 | 0 | 0 | 113.9 | ||
| 97 | R | 87.8 | Confident | 84.2 | Confident | 246 Ų | 246 | 82.6 Ų | 82.6 | 93% | 0.928 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 2.1 | 175.5 | -61.2 | -175.6 | 179.7 | -175.4 | 0.3 | 113.5 | T95 | T95-R97 PolarHBondContact O-N 3.32Š|
| 98 | G | 86.9 | Confident | 84 | Confident | 38 Ų | 38 | 88 Ų | 88 | 39% | 0.392 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 117.8 | -169.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T95 R100 | T95-G98 WeakPolarHBondContact CA-O 3.07Å; T95-G98 WeakPolarHBondContact CB-O 3.36Å; T95-G98 PolarHBondContact N-O 3.03Å; T95-G98 PolarHBondContact O-N 3.32Å; T95-G98 VanDerWaalsContact O-O 3.14Å; T95-G98 PolarHBondContact OG1-O 3.27Å; G98-R100 PolarHBondContact O-N 3.38Å |
| 99 | L | 87.3 | Confident | 83.8 | Confident | 100 Ų | 100 | 95.5 Ų | 95.5 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 124.6 | 179.8 | -67 | 168 | 0 | 0 | 0 | 110.9 | Y92 E94 | Y92-L99 HydrophobicContact CD1-CB 4.31Å; E94-L99 HydrophobicContact CB-CD2 4.49Å; E94-L99 HydrophobicContact CG-CD2 3.55Å |
| 100 | R | 86.9 | Confident | 83.5 | Confident | 177 Ų | 177 | 92.8 Ų | 92.8 | 67% | 0.668 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 142.9 | 174.2 | -176.3 | -179.5 | 168.2 | -168.3 | -2.8 | 110 | Y92 V93 T95 G98 F102 | Y92-R100 WeakPolarHBondContact CA-O 3.36Å; V93-R100 PolarHBondContact N-O 2.85Å; V93-R100 PolarHBondContact O-N 3.22Å; T95-R100 HydrophobicContact CG2-CB 3.94Å; G98-R100 PolarHBondContact O-N 3.38Å; R100-F102 PolarHBondContact O-N 3.16Å |
| 101 | T | 83.6 | Confident | 83.1 | Confident | 78 Ų | 78 | 94.6 Ų | 94.6 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 122.4 | 170.8 | 51 | 0 | 0 | 0 | 0 | 109.9 | V90 Y92 | V90-T101 HydrophobicContact CG1-CG2 4.18Å; Y92-T101 HydrophobicContact CD1-CG2 4.1Å; Y92-T101 HydrophobicContact CE1-CG2 3.4Å; Y92-T101 VanDerWaalsContact CE1-CG2 3.4Å |
| 102 | F | 80.3 | Confident | 82.6 | Confident | 138 Ų | 138 | 99.4 Ų | 99.4 | 61% | 0.605 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -70.8 | 179.8 | -174.1 | -107.9 | 0 | 0 | 0 | 111.3 | G91 V93 R100 | G91-F102 PolarHBondContact O-N 3.37Å; V93-F102 HydrophobicContact CG2-CB 3.74Å; V93-F102 HydrophobicContact CG2-CD2 3.89Å; V93-F102 HydrophobicContact CG2-CG 3.89Å; R100-F102 PolarHBondContact O-N 3.16Å |
| 103 | K | 80.3 | Confident | 82.1 | Confident | 140 Ų | 140 | 98.1 Ų | 98.1 | 61% | 0.609 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 149.6 | 177.7 | -69.5 | -177.8 | -180 | 176.9 | 0 | 110.4 | G91 | G91-K103 PolarHBondContact N-O 3.2Å |
| 104 | T | 79.2 | Confident | 81.6 | Confident | 78 Ų | 78 | 97 Ų | 97 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 118.1 | 174.7 | 60.7 | 0 | 0 | 0 | 0 | 108.6 | I89 V90 | I89-T104 CarbonylContact O-C 3.46Å; I89-T104 WeakPolarHBondContact O-CA 3.26Å; V90-T104 HydrophobicContact CB-CG2 4.33Å; V90-T104 HydrophobicContact CG1-CG2 4.11Å; V90-T104 HydrophobicContact CG2-CG2 3.71Å |
| 105 | V | 81 | Confident | 81.1 | Confident | 73 Ų | 73 | 92.1 Ų | 92.1 | 44% | 0.442 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 126.1 | 176.7 | -177.8 | 0 | 0 | 0 | 0 | 108 | G88 I89 | G88-V105 CarbonylContact C-O 3.54Å; G88-V105 WeakPolarHBondContact CA-O 3.42Å; I89-V105 PolarHBondContact N-O 2.86Å; I89-V105 PolarHBondContact O-N 2.83Å |
| 106 | F | 81.7 | Confident | 80.6 | Confident | 61 Ų | 61 | 96 Ų | 96 | 27% | 0.268 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 155.5 | 176.3 | -72.2 | -79.3 | 0 | 0 | 0 | 110.9 | V87 I110 I132 | V87-F106 HydrophobicContact CG1-CD1 4.43Å; F106-I110 HydrophobicContact CB-CD1 4.28Å; F106-I132 HydrophobicContact CB-CG2 4.31Å; F106-I132 HydrophobicContact CD2-CG2 3.85Å; F106-I132 HydrophobicContact CG-CG2 4.33Å |
| 107 | A | 78.9 | Confident | 80 | Confident | 42 Ų | 42 | 93.6 Ų | 93.6 | 35% | 0.347 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 150.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V87 H109 I110 | V87-A107 PolarHBondContact O-N 3.16Å; A107-H109 VanDerWaalsContact C-N 3.31Å; A107-H109 PolarHBondContact O-N 3.48Å; A107-I110 WeakPolarHBondContact O-CG1 3.41Å |
| 108 | E | 77.3 | Confident | 79.5 | Confident | 124 Ų | 124 | 87.3 Ų | 87.3 | 58% | 0.579 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -62.7 | -37.6 | 179.1 | -65.3 | 179.1 | 178.9 | 0 | 0 | 112.2 | Q133 L136 | E108-Q133 PolarHBondContact O-NE2 2.82Å; E108-L136 HydrophobicContact CG-CD1 4.31Å |
| 109 | H | 79.4 | Confident | 78.9 | Confident | 164 Ų | 164 | 89.8 Ų | 89.8 | 76% | 0.759 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -109.6 | 109.1 | 179.3 | -61.5 | -63.7 | 0 | 0 | 0 | 110.7 | A107 | A107-H109 VanDerWaalsContact C-N 3.31Å; A107-H109 PolarHBondContact O-N 3.48Å |
| 110 | I | 77.4 | Confident | 78.1 | Confident | 15 Ų | 15 | 94.9 Ų | 94.9 | 8% | 0.077 | 45% | 0.446 | C | S | . | . | trans | -105.9 | 124.5 | 179.2 | -57.2 | 175.6 | 0 | 0 | 0 | 109.4 | V87 F106 A107 C114 K115 M129 | V87-I110 HydrophobicContact CG1-CG1 4.2Å; V87-I110 HydrophobicContact CG1-CG2 4.11Å; F106-I110 HydrophobicContact CB-CD1 4.28Å; A107-I110 WeakPolarHBondContact O-CG1 3.41Å; I110-C114 HydrophobicContact CG2-CB 3.68Å; I110-K115 HydrophobicContact CG2-CG 4.31Å; I110-K115 WeakPolarHBondContact O-CE 3.37Å; I110-M129 HydrophobicContact CD1-CE 4.07Å | ||
| 111 | S | 76.6 | Confident | 77.1 | Confident | 56 Ų | 56 | 93.4 Ų | 93.4 | 39% | 0.392 | 45% | 0.451 | S | S | . | . | trans | -67.2 | 151.1 | 176.5 | 66.6 | 0 | 0 | 0 | 0 | 112.4 | E113 C114 K115 | S111-E113 PolarHBondContact O-N 2.83Å; S111-C114 WeakPolarHBondContact O-CB 3.48Å; S111-C114 PolarHBondContact O-N 3.07Å; S111-C114 PolarHBondContact OG-SG 2.85Å; S111-K115 PolarHBondContact O-N 2.95Å | ||
| 112 | D | 75.3 | Confident | 75.6 | Confident | 109 Ų | 109 | 94.2 Ų | 94.2 | 58% | 0.583 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.1 | -26.2 | -177.1 | -63 | -39.1 | 0 | 0 | 0 | 112.9 | C114 K115 R116 | D112-C114 VanDerWaalsContact C-N 3.26Å; D112-C114 PolarHBondContact O-N 2.84Å; D112-K115 WeakPolarHBondContact O-CB 3.36Å; D112-K115 PolarHBondContact O-N 2.74Å; D112-K115 VanDerWaalsContact O-N 3.12Å; D112-K115 WeakPolarHBondContact OD1-CD 3.47Å; D112-K115 WeakPolarHBondContact OD1-CE 3.34Å; D112-K115 IonicContact OD1-NZ 2.7Å; D112-K115 PolarHBondContact OD1-NZ 3.18Å; D112-R116 WeakPolarHBondContact O-CG 3.49Å; D112-R116 PolarHBondContact O-N 2.76Å |
| 113 | E | 74.1 | Confident | 74.4 | Confident | 48 Ų | 48 | 93.2 Ų | 93.2 | 22% | 0.224 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -60.3 | -36 | 171.2 | -65.2 | -172.6 | -157.6 | 0 | 0 | 112.8 | S111 C162 | S111-E113 PolarHBondContact O-N 2.83Å; E113-C162 HydrophobicContact CB-CB 4.28Å; E113-C162 PolarHBondContact OE2-N 2.89Å; E113-C162 VanDerWaalsContact OE2-N 3.07Å |
| 114 | C | 75.7 | Confident | 72.6 | Confident | 8 Ų | 8 | 90.2 Ų | 90.2 | 5% | 0.054 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -71.3 | -38 | 175.5 | -60.4 | 0 | 0 | 0 | 0 | 110.5 | I110 S111 D112 R116 R117 L158 | I110-C114 HydrophobicContact CG2-CB 3.68Å; S111-C114 WeakPolarHBondContact O-CB 3.48Å; S111-C114 PolarHBondContact O-N 3.07Å; S111-C114 PolarHBondContact OG-SG 2.85Å; D112-C114 VanDerWaalsContact C-N 3.26Å; D112-C114 PolarHBondContact O-N 2.84Å; C114-R116 VanDerWaalsContact C-N 3.3Å; C114-R116 PolarHBondContact O-N 2.73Å; C114-R117 PolarHBondContact O-N 3.3Å; C114-L158 HydrophobicContact CB-CD2 4.01Å |
| 115 | K | 76.2 | Confident | 70.9 | Confident | 46 Ų | 46 | 97.6 Ų | 97.6 | 20% | 0.2 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -62 | -37.4 | 176.8 | -60.5 | 179.6 | -166.8 | 155.3 | 0 | 111.9 | I110 S111 D112 R117 F118 Y119 M129 | I110-K115 HydrophobicContact CG2-CG 4.31Å; I110-K115 WeakPolarHBondContact O-CE 3.37Å; S111-K115 PolarHBondContact O-N 2.95Å; D112-K115 WeakPolarHBondContact O-CB 3.36Å; D112-K115 PolarHBondContact O-N 2.74Å; D112-K115 VanDerWaalsContact O-N 3.12Å; D112-K115 WeakPolarHBondContact OD1-CD 3.47Å; D112-K115 WeakPolarHBondContact OD1-CE 3.34Å; D112-K115 IonicContact OD1-NZ 2.7Å; D112-K115 PolarHBondContact OD1-NZ 3.18Å; K115-R117 PolarHBondContact O-N 3.21Å; K115-R117 VanDerWaalsContact O-N 3.12Å; K115-F118 PolarHBondContact O-N 3.12Å; K115-F118 VanDerWaalsContact O-N 3.1Å; K115-Y119 WeakPolarHBondContact O-CD2 3.47Å; K115-M129 HydrophobicContact CG-CG 4.16Å |
| 116 | R | 78 | Confident | 69.5 | Low | 132 Ų | 132 | 101.9 Ų | 101.9 | 50% | 0.498 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.4 | -28 | 176.5 | -72.2 | 178.9 | 179.9 | -175.8 | -1.2 | 113.3 | D112 C114 F118 Y119 | D112-R116 WeakPolarHBondContact O-CG 3.49Å; D112-R116 PolarHBondContact O-N 2.76Å; C114-R116 VanDerWaalsContact C-N 3.3Å; C114-R116 PolarHBondContact O-N 2.73Å; R116-F118 VanDerWaalsContact C-N 3.29Å; R116-F118 PolarHBondContact O-N 2.75Å; R116-Y119 PolarHBondContact O-N 3.41Å; R116-Y119 VanDerWaalsContact O-O 3.04Å |
| 117 | R | 75.7 | Confident | 67.7 | Low | 93 Ų | 93 | 102 Ų | 102 | 35% | 0.351 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -21.5 | 179.7 | -64.4 | -166.7 | -175.9 | 174.9 | 8.1 | 114.2 | C114 K115 L158 P159 C162 | C114-R117 PolarHBondContact O-N 3.3Å; K115-R117 PolarHBondContact O-N 3.21Å; K115-R117 VanDerWaalsContact O-N 3.12Å; R117-L158 VanDerWaalsContact NH1-CG 3.31Å; R117-P159 VanDerWaalsContact NH2-CD 3.32Å; R117-C162 PolarHBondContact NE-SG 3Å; R117-C162 PolarHBondContact NH2-SG 3.4Å |
| 118 | F | 76.9 | Confident | 66 | Low | 113 Ų | 113 | 104.1 Ų | 104.1 | 50% | 0.496 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -19.1 | 179.4 | -63.4 | -73.6 | 0 | 0 | 0 | 112.5 | K115 R116 M129 | K115-F118 PolarHBondContact O-N 3.12Å; K115-F118 VanDerWaalsContact O-N 3.1Å; R116-F118 VanDerWaalsContact C-N 3.29Å; R116-F118 PolarHBondContact O-N 2.75Å; F118-M129 HydrophobicContact CD2-CE 4.44Å; F118-M129 HydrophobicContact CD2-SD 4.29Å; F118-M129 HydrophobicContact CE2-CE 3.85Å; F118-M129 HydrophobicContact CE2-SD 4.29Å; F118-M129 HydrophobicContact CZ-CE 4.11Å |
| 119 | Y | 75.9 | Confident | 64.4 | Low | 90 Ų | 90 | 99 Ų | 99 | 35% | 0.353 | 50% | 0.504 | S | S | . | . | trans | -115.8 | 134.6 | -173.9 | -58.2 | -74.8 | 0 | 0 | 0 | 111.7 | K115 R116 C127 | K115-Y119 WeakPolarHBondContact O-CD2 3.47Å; R116-Y119 PolarHBondContact O-N 3.41Å; R116-Y119 VanDerWaalsContact O-O 3.04Å; Y119-C127 HydrophobicContact CD2-CB 4.31Å; Y119-C127 HydrophobicContact CE1-CB 4.16Å; Y119-C127 HydrophobicContact CE2-CB 3.53Å; Y119-C127 VanDerWaalsContact CZ-CB 3.45Å; Y119-C127 WeakPolarHBondContact OH-CB 3.42Å | ||
| 120 | K | 69.1 | Low | 62.9 | Low | 207 Ų | 207 | 93.9 Ų | 93.9 | 90% | 0.9 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -82.7 | -34 | 174.8 | -65.8 | -178.4 | -177.8 | 175.9 | 0 | 112.6 | ||
| 121 | N | 66.2 | Low | 61.2 | Low | 146 Ų | 146 | 102.1 Ų | 102.1 | 78% | 0.781 | 52% | 0.522 | S | S | * | . | trans | -116.3 | 105.8 | 177.7 | -63.4 | -6.4 | 0 | 0 | 0 | 108.1 | ||||
| 122 | C | 52.7 | Low | 59.9 | Low | 95 Ų | 95 | 103 Ų | 103 | 64% | 0.642 | 52% | 0.521 | S | S | * | . | trans | -113.6 | 63.2 | -178.2 | 45.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 123 | S | 55 | Low | 58.5 | Low | 117 Ų | 117 | 101.1 Ų | 101.1 | 82% | 0.818 | 51% | 0.509 | S | S | * | . | trans | -116.9 | 7.2 | 178 | 55.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 124 | A | 42.4 | Very low | 56.8 | Low | 78 Ų | 78 | 102.1 Ų | 102.1 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -138.9 | 121.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 125 | R | 43.7 | Very low | 55.1 | Low | 233 Ų | 233 | 106 Ų | 106 | 88% | 0.879 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 33.5 | 106.2 | 137.2 | -127.5 | 174.5 | -73.4 | -172.6 | -2.5 | 115.6 | ||
| 126 | L | 52.3 | Low | 53.5 | Low | 163 Ų | 163 | 107.5 Ų | 107.5 | 85% | 0.853 | 56% | 0.56 | S | S | * | * | trans | 34.1 | 94.3 | 164.2 | -73.7 | 102.4 | 0 | 0 | 0 | 115.7 | P128 | L126-P128 WeakPolarHBondContact O-CD 3.5Š| ||
| 127 | C | 42 | Very low | 51.5 | Low | 62 Ų | 62 | 106 Ų | 106 | 42% | 0.419 | 58% | 0.577 | S | S | . | * | trans | -94.1 | 108 | 160.5 | -84.8 | 0 | 0 | 0 | 0 | 109.1 | Y119 M129 | Y119-C127 HydrophobicContact CD2-CB 4.31Å; Y119-C127 HydrophobicContact CE1-CB 4.16Å; Y119-C127 HydrophobicContact CE2-CB 3.53Å; Y119-C127 VanDerWaalsContact CZ-CB 3.45Å; Y119-C127 WeakPolarHBondContact OH-CB 3.42Å; C127-M129 PolarHBondContact O-N 3.1Å | ||
| 128 | P | 43.6 | Very low | 49.3 | Very low | 88 Ų | 88 | 104.9 Ų | 104.9 | 57% | 0.571 | 59% | 0.593 | S | S | * | * | trans | -82.4 | 111.4 | -176.6 | 34.4 | -32.7 | 0 | 0 | 0 | 108.6 | L126 S130 | L126-P128 WeakPolarHBondContact O-CD 3.5Å; P128-S130 WeakPolarHBondContact CB-OG 3.45Å; P128-S130 PolarHBondContact O-N 3.12Å; P128-S130 PolarHBondContact O-OG 3.01Å | ||
| 129 | M | 43.9 | Very low | 47.1 | Very low | 16 Ų | 16 | 101.8 Ų | 101.8 | 8% | 0.079 | 59% | 0.593 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -61.6 | 17.1 | 154.3 | -81.5 | -78.6 | -76.2 | 0 | 0 | 112.6 | I110 K115 F118 C127 F131 I132 Q133 | I110-M129 HydrophobicContact CD1-CE 4.07Å; K115-M129 HydrophobicContact CG-CG 4.16Å; F118-M129 HydrophobicContact CD2-CE 4.44Å; F118-M129 HydrophobicContact CD2-SD 4.29Å; F118-M129 HydrophobicContact CE2-CE 3.85Å; F118-M129 HydrophobicContact CE2-SD 4.29Å; F118-M129 HydrophobicContact CZ-CE 4.11Å; C127-M129 PolarHBondContact O-N 3.1Å; M129-F131 PolarHBondContact O-N 3.12Å; M129-F131 VanDerWaalsContact O-N 3.11Å; M129-I132 HydrophobicContact CE-CB 4.25Å; M129-I132 HydrophobicContact CE-CD1 3.42Å; M129-I132 VanDerWaalsContact CE-CD1 3.42Å; M129-I132 HydrophobicContact CE-CG1 4.35Å; M129-I132 PolarHBondContact O-N 3.4Å; M129-I132 HydrophobicContact SD-CD1 3.84Å; M129-Q133 PolarHBondContact O-N 3.38Å |
| 130 | S | 47.3 | Very low | 45.1 | Very low | 56 Ų | 56 | 108.4 Ų | 108.4 | 39% | 0.392 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -50.7 | -33 | 177.1 | 58.7 | 0 | 0 | 0 | 0 | 113.1 | P128 I132 Q133 A134 | P128-S130 WeakPolarHBondContact CB-OG 3.45Å; P128-S130 PolarHBondContact O-N 3.12Å; P128-S130 PolarHBondContact O-OG 3.01Å; S130-I132 VanDerWaalsContact C-N 3.25Å; S130-I132 PolarHBondContact O-N 3.19Å; S130-Q133 PolarHBondContact O-N 3Å; S130-A134 VanDerWaalsContact O-CB 3.24Å; S130-A134 WeakPolarHBondContact O-CB 3.5Å; S130-A134 PolarHBondContact O-N 3.5Å |
| 131 | F | 42.1 | Very low | 43.2 | Very low | 189 Ų | 189 | 101.9 Ų | 101.9 | 83% | 0.829 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.1 | -21.6 | 179.8 | -117.1 | -89.7 | 0 | 0 | 0 | 114 | M129 | M129-F131 PolarHBondContact O-N 3.12Å; M129-F131 VanDerWaalsContact O-N 3.11Å |
| 132 | I | 49.6 | Very low | 41.7 | Very low | 73 Ų | 73 | 99.8 Ų | 99.8 | 37% | 0.374 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -95.4 | -26.7 | 175.1 | -67.1 | 169.6 | 0 | 0 | 0 | 111.2 | F106 M129 S130 P135 | F106-I132 HydrophobicContact CB-CG2 4.31Å; F106-I132 HydrophobicContact CD2-CG2 3.85Å; F106-I132 HydrophobicContact CG-CG2 4.33Å; M129-I132 HydrophobicContact CE-CB 4.25Å; M129-I132 HydrophobicContact CE-CD1 3.42Å; M129-I132 VanDerWaalsContact CE-CD1 3.42Å; M129-I132 HydrophobicContact CE-CG1 4.35Å; M129-I132 PolarHBondContact O-N 3.4Å; M129-I132 HydrophobicContact SD-CD1 3.84Å; S130-I132 VanDerWaalsContact C-N 3.25Å; S130-I132 PolarHBondContact O-N 3.19Å; I132-P135 WeakPolarHBondContact O-CD 3.35Å |
| 133 | Q | 45.7 | Very low | 41.3 | Very low | 70 Ų | 70 | 102.1 Ų | 102.1 | 33% | 0.327 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -78.8 | -25.5 | 173.5 | -85.6 | 169.4 | -50 | 0 | 0 | 113.5 | E108 M129 S130 P135 L136 | E108-Q133 PolarHBondContact O-NE2 2.82Å; M129-Q133 PolarHBondContact O-N 3.38Å; S130-Q133 PolarHBondContact O-N 3Å; Q133-P135 VanDerWaalsContact C-CD 3.47Å; Q133-L136 PolarHBondContact O-N 3.01Å |
| 134 | A | 38.8 | Very low | 40.4 | Very low | 69 Ų | 69 | 105.2 Ų | 105.2 | 57% | 0.57 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -29.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | S130 L136 | S130-A134 VanDerWaalsContact O-CB 3.24Å; S130-A134 WeakPolarHBondContact O-CB 3.5Å; S130-A134 PolarHBondContact O-N 3.5Å; A134-L136 VanDerWaalsContact C-N 3.31Å; A134-L136 PolarHBondContact O-N 3.09Å |
| 135 | P | 40.7 | Very low | 40.4 | Very low | 90 Ų | 90 | 106.1 Ų | 106.1 | 58% | 0.584 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -7.4 | -178.6 | -12.2 | 28.4 | 0 | 0 | 0 | 114.8 | I132 Q133 | I132-P135 WeakPolarHBondContact O-CD 3.35Å; Q133-P135 VanDerWaalsContact C-CD 3.47Å |
| 136 | L | 43 | Very low | 39.7 | Very low | 77 Ų | 77 | 97.9 Ų | 97.9 | 40% | 0.403 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.9 | -11 | -174.3 | -64.5 | 176.5 | 0 | 0 | 0 | 114.2 | E108 Q133 A134 G138 | E108-L136 HydrophobicContact CG-CD1 4.31Å; Q133-L136 PolarHBondContact O-N 3.01Å; A134-L136 VanDerWaalsContact C-N 3.31Å; A134-L136 PolarHBondContact O-N 3.09Å; L136-G138 PolarHBondContact O-N 2.95Å |
| 137 | A | 34.5 | Very low | 39.4 | Very low | 102 Ų | 102 | 98 Ų | 98 | 84% | 0.843 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -71.1 | -12.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 138 | G | 30.3 | Very low | 39.4 | Very low | 68 Ų | 68 | 102.9 Ų | 102.9 | 70% | 0.701 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -136.1 | 85.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L136 | L136-G138 PolarHBondContact O-N 2.95Š|
| 139 | G | 31.1 | Very low | 39.5 | Very low | 48 Ų | 48 | 102.7 Ų | 102.7 | 50% | 0.495 | 63% | 0.631 | S | S | . | * | trans | 128 | 107.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G141 | G139-G141 PolarHBondContact O-N 2.83Š| ||
| 140 | K | 33.4 | Very low | 39.8 | Very low | 230 Ų | 230 | 111.1 Ų | 111.1 | 100% | 1 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -65.4 | 36.7 | 158.4 | -67.9 | -179.1 | 171.4 | -179.6 | 0 | 112.3 | ||
| 141 | G | 28.8 | Very low | 40.3 | Very low | 69 Ų | 69 | 111 Ų | 111 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | trans | -129.2 | 20 | -154.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | G139 | G139-G141 PolarHBondContact O-N 2.83Š| ||
| 142 | S | 35.8 | Very low | 41.2 | Very low | 103 Ų | 103 | 106.5 Ų | 106.5 | 72% | 0.72 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -132 | 11.6 | 175.3 | 60.8 | 0 | 0 | 0 | 0 | 115.5 | ||
| 143 | L | 44.4 | Very low | 41.6 | Very low | 144 Ų | 144 | 109 Ų | 109 | 75% | 0.754 | 66% | 0.661 | S | S | * | * | trans | -115.6 | 33.5 | 176.8 | -97 | 153.4 | 0 | 0 | 0 | 111.7 | ||||
| 144 | E | 34.7 | Very low | 42.1 | Very low | 182 Ų | 182 | 108 Ų | 108 | 85% | 0.85 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -82.9 | 118.1 | 157.3 | -80.2 | -65.6 | 141.7 | 0 | 0 | 107 | G146 | E144-G146 VanDerWaalsContact C-N 3.28Å; E144-G146 PolarHBondContact O-N 2.97Å |
| 145 | A | 42.3 | Very low | 42.9 | Very low | 96 Ų | 96 | 107 Ų | 107 | 79% | 0.793 | 65% | 0.647 | S | S | * | * | trans | -62.2 | 91.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | N147 | A145-N147 PolarHBondContact O-N 3.45Å; A145-N147 VanDerWaalsContact O-N 3.16Å | ||
| 146 | G | 30.3 | Very low | 43.7 | Very low | 61 Ų | 61 | 105.4 Ų | 105.4 | 63% | 0.629 | 64% | 0.636 | S | S | * | * | trans | -53.5 | 120.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | E144 E148 | E144-G146 VanDerWaalsContact C-N 3.28Å; E144-G146 PolarHBondContact O-N 2.97Å; G146-E148 VanDerWaalsContact C-N 3.34Å; G146-E148 PolarHBondContact O-N 2.97Å | ||
| 147 | N | 44.4 | Very low | 44.2 | Very low | 166 Ų | 166 | 103.1 Ų | 103.1 | 89% | 0.888 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -54.7 | 87.8 | -178.5 | -166.7 | 27.1 | 0 | 0 | 0 | 111 | A145 | A145-N147 PolarHBondContact O-N 3.45Å; A145-N147 VanDerWaalsContact O-N 3.16Å |
| 148 | E | 42.8 | Very low | 44.9 | Very low | 163 Ų | 163 | 99.1 Ų | 99.1 | 76% | 0.762 | 59% | 0.59 | S | S | * | * | trans | -149 | 149.3 | -175.8 | -83.8 | -71.6 | 138.1 | 0 | 0 | 108.6 | G146 | G146-E148 VanDerWaalsContact C-N 3.34Å; G146-E148 PolarHBondContact O-N 2.97Å | ||
| 149 | P | 44.6 | Very low | 45.5 | Very low | 85 Ų | 85 | 96.1 Ų | 96.1 | 55% | 0.552 | 56% | 0.558 | S | S | * | * | trans | -58.8 | 134.2 | -147.8 | 23.9 | -34.6 | 0 | 0 | 0 | 113 | P151 | P149-P151 WeakPolarHBondContact O-CD 3.24Š| ||
| 150 | H | 50.6 | Low | 45.9 | Very low | 192 Ų | 192 | 97.6 Ų | 97.6 | 89% | 0.889 | 55% | 0.554 | S | S | * | * | trans | -36.9 | 97.2 | -177.7 | -65.2 | -65.7 | 0 | 0 | 0 | 112.5 | Q152 | H150-Q152 PolarHBondContact O-N 2.96Š| ||
| 151 | P | 58.4 | Low | 46 | Very low | 55 Ų | 55 | 88.7 Ų | 88.7 | 36% | 0.357 | 52% | 0.52 | S | S | . | . | trans | -75 | 133.9 | -176.6 | 28 | -30.6 | 0 | 0 | 0 | 108.6 | Y92 V93 P149 M153 | Y92-P151 CarbonylContact O-C 3.56Å; Y92-P151 VanDerWaalsContact O-CA 3.26Å; Y92-P151 WeakPolarHBondContact O-CA 3.44Å; Y92-P151 WeakPolarHBondContact O-CB 3.42Å; V93-P151 HydrophobicContact CG2-CB 4.21Å; P149-P151 WeakPolarHBondContact O-CD 3.24Å; P151-M153 PolarHBondContact O-N 3.46Å | ||
| 152 | Q | 60.1 | Low | 46.3 | Very low | 94 Ų | 94 | 86.8 Ų | 86.8 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 111.1 | 170.3 | -70.7 | -179.4 | 2.7 | 0 | 0 | 108.2 | Y92 H150 | Y92-Q152 PolarHBondContact N-O 3.41Å; Y92-Q152 PolarHBondContact O-N 2.63Å; H150-Q152 PolarHBondContact O-N 2.96Å |
| 153 | M | 58.7 | Low | 46.3 | Very low | 126 Ų | 126 | 86.2 Ų | 86.2 | 62% | 0.621 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 122.7 | -179.2 | -66.7 | -175 | 117.5 | 0 | 0 | 110 | I89 P151 | I89-M153 HydrophobicContact CG2-CB 3.96Å; I89-M153 HydrophobicContact CG2-CE 4.24Å; I89-M153 HydrophobicContact CG2-CG 4.43Å; P151-M153 PolarHBondContact O-N 3.46Å |
| 154 | V | 57.3 | Low | 45.9 | Very low | 47 Ų | 47 | 86.1 Ų | 86.1 | 29% | 0.285 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 118.5 | 175.6 | -176.1 | 0 | 0 | 0 | 0 | 109 | V90 Y92 | V90-V154 PolarHBondContact N-O 3.37Å; V90-V154 PolarHBondContact O-N 3.38Å; Y92-V154 HydrophobicContact CD2-CB 4.4Å; Y92-V154 HydrophobicContact CD2-CG2 3.89Å; Y92-V154 HydrophobicContact CE2-CB 4.15Å; Y92-V154 HydrophobicContact CE2-CG2 3.95Å |
| 155 | P | 54.6 | Low | 46 | Very low | 48 Ų | 48 | 79.7 Ų | 79.7 | 31% | 0.312 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 137.4 | 173.8 | 27.6 | -32.3 | 0 | 0 | 0 | 110.5 | L43 V86 C157 | L43-P155 HydrophobicContact CD2-CG 3.68Å; V86-P155 HydrophobicContact CG1-CB 3.87Å; P155-C157 PolarHBondContact O-N 3.43Å |
| 156 | V | 56.6 | Low | 45.6 | Very low | 58 Ų | 58 | 81.2 Ų | 81.2 | 35% | 0.352 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 96.7 | 170.5 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | V87 G88 V90 L158 | V87-V156 PolarHBondContact N-O 2.75Å; G88-V156 PolarHBondContact O-N 3.44Å; V90-V156 HydrophobicContact CB-CG2 4.36Å; V90-V156 HydrophobicContact CG2-CG2 3.31Å; V156-L158 HydrophobicContact CG1-CD1 4.11Å |
| 157 | C | 53.4 | Low | 45.8 | Very low | 29 Ų | 29 | 85.8 Ų | 85.8 | 20% | 0.196 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 133.7 | 177 | -51.2 | 0 | 0 | 0 | 0 | 110.6 | M84 P155 | M84-C157 HydrophobicContact CE-CB 3.95Å; M84-C157 HydrophobicContact SD-CB 4.32Å; P155-C157 PolarHBondContact O-N 3.43Å |
| 158 | L | 49.8 | Very low | 45.1 | Very low | 18 Ų | 18 | 81.2 Ų | 81.2 | 9% | 0.094 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 132.1 | 168.4 | -76 | 94.5 | 0 | 0 | 0 | 108.7 | M84 V85 V87 C114 R117 V156 L160 | M84-L158 CarbonylContact C-O 3.5Å; M84-L158 WeakPolarHBondContact CA-O 3.33Å; V85-L158 PolarHBondContact N-O 2.87Å; V85-L158 PolarHBondContact O-N 2.81Å; V87-L158 HydrophobicContact CB-CD1 3.67Å; V87-L158 HydrophobicContact CG1-CD1 4.45Å; V87-L158 HydrophobicContact CG2-CB 4.18Å; V87-L158 HydrophobicContact CG2-CD1 3.57Å; V87-L158 HydrophobicContact CG2-CG 4.35Å; C114-L158 HydrophobicContact CB-CD2 4.01Å; R117-L158 VanDerWaalsContact NH1-CG 3.31Å; V156-L158 HydrophobicContact CG1-CD1 4.11Å; L158-L160 PolarHBondContact O-N 2.86Å |
| 159 | P | 43.6 | Very low | 44.6 | Very low | 4 Ų | 4 | 81.4 Ų | 81.4 | 3% | 0.026 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 135.9 | 168.2 | 20.9 | -34.1 | 0 | 0 | 0 | 110.3 | L47 M84 R117 T161 C162 | L47-P159 HydrophobicContact CD1-CG 4.13Å; M84-P159 HydrophobicContact CG-CB 4.41Å; R117-P159 VanDerWaalsContact NH2-CD 3.32Å; P159-T161 PolarHBondContact O-N 3.27Å; P159-T161 VanDerWaalsContact O-N 3.13Å; P159-C162 PolarHBondContact O-N 3.29Å |
| 160 | L | 39.3 | Very low | 43.9 | Very low | 79 Ų | 79 | 86.3 Ų | 86.3 | 41% | 0.414 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -57.2 | -20.6 | 172.4 | -87.1 | 154.7 | 0 | 0 | 0 | 111.9 | P83 V85 L158 | P83-L160 HydrophobicContact CB-CD1 3.67Å; P83-L160 HydrophobicContact CG-CB 4.48Å; P83-L160 HydrophobicContact CG-CD1 3.59Å; P83-L160 WeakPolarHBondContact O-CB 2.99Å; P83-L160 PolarHBondContact O-N 3.04Å; V85-L160 HydrophobicContact CB-CG 4.46Å; V85-L160 HydrophobicContact CG2-CB 4.32Å; V85-L160 HydrophobicContact CG2-CD1 4.1Å; V85-L160 HydrophobicContact CG2-CD2 3.03Å; V85-L160 HydrophobicContact CG2-CG 3.21Å; L158-L160 PolarHBondContact O-N 2.86Å |
| 161 | T | 36.5 | Very low | 42.9 | Very low | 44 Ų | 44 | 88.9 Ų | 88.9 | 27% | 0.27 | 48% | 0.481 | S | S | . | . | trans | -109.8 | 66.9 | 178.6 | 63.6 | 0 | 0 | 0 | 0 | 107.8 | P82 P159 C163 | P82-T161 HydrophobicContact CB-CG2 3.63Å; P82-T161 WeakPolarHBondContact CB-OG1 3.41Å; P82-T161 HydrophobicContact CG-CG2 4.44Å; P82-T161 WeakPolarHBondContact CG-OG1 3.45Å; P159-T161 PolarHBondContact O-N 3.27Å; P159-T161 VanDerWaalsContact O-N 3.13Å; T161-C163 PolarHBondContact O-N 3.31Å | ||
| 162 | C | 35.1 | Very low | 41.4 | Very low | 29 Ų | 29 | 90.5 Ų | 90.5 | 20% | 0.196 | 50% | 0.499 | C | S | . | . | S | Bend | trans | -76.3 | 65.4 | 150.6 | -132.3 | 0 | 0 | 0 | 0 | 106.2 | E113 R117 P159 | E113-C162 HydrophobicContact CB-CB 4.28Å; E113-C162 PolarHBondContact OE2-N 2.89Å; E113-C162 VanDerWaalsContact OE2-N 3.07Å; R117-C162 PolarHBondContact NE-SG 3Å; R117-C162 PolarHBondContact NH2-SG 3.4Å; P159-C162 PolarHBondContact O-N 3.29Å |
| 163 | C | 35.5 | Very low | 39.9 | Very low | 90 Ų | 90 | 91.3 Ų | 91.3 | 61% | 0.608 | 51% | 0.512 | S | S | * | . | trans | 54.4 | 95.8 | -164.9 | -53.4 | 0 | 0 | 0 | 0 | 112.9 | T161 G165 | T161-C163 PolarHBondContact O-N 3.31Å; C163-G165 PolarHBondContact O-N 3.42Å | ||
| 164 | K | 36.2 | Very low | 38.5 | Very low | 142 Ų | 142 | 90.7 Ų | 90.7 | 62% | 0.617 | 52% | 0.517 | S | S | * | . | trans | -62.4 | 72.6 | 130.2 | -97.3 | -163.9 | 172 | -154.3 | 0 | 106.1 | E167 | K164-E167 IonicContact NZ-OE2 2.75Å; K164-E167 PolarHBondContact NZ-OE2 2.86Å | ||
| 165 | G | 36 | Very low | 37.1 | Very low | 47 Ų | 47 | 93.8 Ų | 93.8 | 49% | 0.485 | 54% | 0.538 | S | S | . | . | trans | -86.3 | 4.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | C163 | C163-G165 PolarHBondContact O-N 3.42Š| ||
| 166 | D | 33.6 | Very low | 35.9 | Very low | 128 Ų | 128 | 97.9 Ų | 97.9 | 68% | 0.684 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -137.5 | 19.6 | -164.1 | -71.9 | -54.7 | 0 | 0 | 0 | 114.5 | ||
| 167 | E | 35.1 | Very low | 34.5 | Very low | 157 Ų | 157 | 101.4 Ų | 101.4 | 73% | 0.734 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -130.2 | 76 | 164.4 | -64.2 | -165.7 | 146.2 | 0 | 0 | 110.2 | K164 | K164-E167 IonicContact NZ-OE2 2.75Å; K164-E167 PolarHBondContact NZ-OE2 2.86Å |
| 168 | G | 30.1 | Very low | 33.2 | Very low | 71 Ų | 71 | 107.1 Ų | 107.1 | 73% | 0.732 | 61% | 0.612 | S | S | * | * | S | Bend | trans | 133.9 | -1.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 169 | L | 30.9 | Very low | 32.1 | Very low | 166 Ų | 166 | 112.3 Ų | 112.3 | 87% | 0.869 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -123.1 | 115.7 | 173.1 | -133.8 | 75.6 | 0 | 0 | 0 | 110.8 | R171 | L169-R171 PolarHBondContact O-N 3.11Š|
| 170 | H | 29.7 | Very low | 31.4 | Very low | 188 Ų | 188 | 121.2 Ų | 121.2 | 87% | 0.87 | 71% | 0.711 | S | S | * | * | trans | -39 | 132.1 | -179.7 | -82.6 | -92.9 | 0 | 0 | 0 | 113.1 | A172 | H170-A172 PolarHBondContact O-N 3.26Š| ||
| 171 | R | 29.7 | Very low | 31 | Very low | 247 Ų | 247 | 123.4 Ų | 123.4 | 93% | 0.932 | 73% | 0.726 | S | S | * | * | trans | -38.5 | 102.8 | 168.8 | -70.1 | 174.5 | 174.6 | 170.7 | -1.6 | 111.3 | L169 | L169-R171 PolarHBondContact O-N 3.11Š| ||
| 172 | A | 27.5 | Very low | 30.7 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 123 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | H170 | H170-A172 PolarHBondContact O-N 3.26Š|
| 173 | P | 28.4 | Very low | 30.5 | Very low | 110 Ų | 110 | 133 Ų | 133 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 147.8 | 177.8 | 26.1 | -32.5 | 0 | 0 | 0 | 110.4 | ||
| 174 | P | 29.4 | Very low | 30.2 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 135.6 | 177.6 | 26.7 | -33.3 | 0 | 0 | 0 | 109.8 | T176 | P174-T176 PolarHBondContact O-N 2.91Å; P174-T176 VanDerWaalsContact O-N 3.09Å |
| 175 | P | 28.2 | Very low | 29.8 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -65.7 | 114.5 | 169.7 | 25.9 | -30.8 | 0 | 0 | 0 | 108.6 | V177 | P175-V177 PolarHBondContact O-N 3.44Š| ||
| 176 | T | 28.4 | Very low | 29.4 | Very low | 133 Ų | 133 | 141 Ų | 141 | 82% | 0.816 | 82% | 0.822 | S | S | * | * | trans | -55.4 | 102.3 | 160.8 | 34.2 | 0 | 0 | 0 | 0 | 108.5 | P174 L178 | P174-T176 PolarHBondContact O-N 2.91Å; P174-T176 VanDerWaalsContact O-N 3.09Å; T176-L178 PolarHBondContact O-N 3.27Å | ||
| 177 | V | 28.8 | Very low | 29.1 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 80% | 0.8 | 83% | 0.832 | S | S | * | * | trans | -84.3 | 96 | 168 | -173.4 | 0 | 0 | 0 | 0 | 106.7 | P175 | P175-V177 PolarHBondContact O-N 3.44Š| ||
| 178 | L | 25.7 | Very low | 28.6 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 79% | 0.785 | 84% | 0.84 | S | S | * | * | trans | -60.2 | 131.9 | 159 | -102.6 | 122.3 | 0 | 0 | 0 | 108.4 | T176 S180 | T176-L178 PolarHBondContact O-N 3.27Å; L178-S180 PolarHBondContact O-N 3.47Å | ||
| 179 | C | 26.9 | Very low | 28.5 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 86% | 0.858 | 85% | 0.849 | S | S | * | * | trans | -65.9 | 122.6 | 164.3 | -72.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 180 | S | 28.6 | Very low | 28.3 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 100% | 1.336 | 85% | 0.847 | S | S | * | * | trans | -158.8 | 0 | 142.4 | 32.2 | 0 | 0 | 0 | 0 | 109.9 | L178 | L178-S180 PolarHBondContact O-N 3.47Š|
Retrieved 180 of 180 residues in 97.7 ms
(Link to these results)