| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.1 | Very low | 44.4 | Very low | 226 Ų | 226 | 141.5 Ų | 141.5 | 100% | 1.113 | 74% | 0.739 | S | S | * | * | 0 | 106.6 | 0 | -74.7 | 177.1 | 172.7 | 0 | 0 | 106.6 | |||||
| 2 | D | 40.6 | Very low | 44.4 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 69% | 0.69 | 73% | 0.73 | S | S | * | * | cis | -162.8 | 141.1 | -11.7 | -81.4 | -43.1 | 0 | 0 | 0 | 102.5 | ||||
| 3 | Q | 44.8 | Very low | 45.3 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | 35.9 | 134.1 | 117.7 | -71.2 | -178.4 | -42.9 | 0 | 0 | 114.6 | |||||
| 4 | E | 44.9 | Very low | 45.5 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 61% | 0.612 | 73% | 0.734 | S | S | * | * | cis | 175.7 | 151.3 | 20.7 | -112.2 | 162.1 | -172.3 | 0 | 0 | 104.8 | ||||
| 5 | D | 44.4 | Very low | 45.9 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | trans | 62.3 | 147.3 | 135.9 | -52.6 | -21.6 | 0 | 0 | 0 | 119 | ||||
| 6 | D | 47.8 | Very low | 46.4 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 57% | 0.567 | 73% | 0.729 | S | S | * | * | cis | -175.2 | 145.1 | 32.8 | -135.5 | -12.2 | 0 | 0 | 0 | 109.3 | ||||
| 7 | K | 47 | Very low | 47 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | trans | 59 | 123.4 | 137.2 | -74.8 | 162.4 | -163.1 | 139.2 | 0 | 122.2 | ||||
| 8 | N | 40.5 | Very low | 47.3 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 83% | 0.829 | 72% | 0.716 | S | S | * | * | trans | 64.8 | 106.7 | 136.6 | -79.4 | -0.7 | 0 | 0 | 0 | 117.5 | ||||
| 9 | S | 47.8 | Very low | 47.8 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | 165.6 | 98.2 | 90.5 | 176 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 10 | V | 46.6 | Very low | 48.2 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 65% | 0.648 | 72% | 0.721 | S | S | * | * | trans | 56.7 | 94.9 | 137.2 | -162.1 | 0 | 0 | 0 | 0 | 116.9 | I12 | V10-I12 HydrophobicContact CG1-CB 4.31Å; V10-I12 HydrophobicContact CG1-CD1 3.36Å; V10-I12 HydrophobicContact CG1-CG1 3.51Å; V10-I12 PolarHBondContact O-N 2.8Å; V10-I12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | D | 48 | Very low | 48.5 | Very low | 160 Ų | 160 | 131 Ų | 131 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | trans | -53.2 | 107.8 | 143.3 | -88.4 | -54.7 | 0 | 0 | 0 | 108.9 | ||||
| 12 | I | 43.8 | Very low | 49.4 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 63% | 0.626 | 66% | 0.664 | S | S | * | * | trans | -126.5 | 78 | 154.5 | -78.2 | 160.8 | 0 | 0 | 0 | 105.8 | V10 D14 | V10-I12 HydrophobicContact CG1-CB 4.31Å; V10-I12 HydrophobicContact CG1-CD1 3.36Å; V10-I12 HydrophobicContact CG1-CG1 3.51Å; V10-I12 PolarHBondContact O-N 2.8Å; V10-I12 VanDerWaalsContact O-N 3.16Å; I12-D14 HydrophobicContact CG2-CB 3.94Å; I12-D14 PolarHBondContact O-N 2.98Å | ||
| 13 | H | 55.9 | Low | 50.2 | Low | 183 Ų | 183 | 120.4 Ų | 120.4 | 85% | 0.847 | 66% | 0.66 | S | S | * | * | trans | -76.1 | 69.6 | 142 | -98.9 | -65.5 | 0 | 0 | 0 | 107.3 | ||||
| 14 | D | 48.6 | Very low | 50.6 | Low | 125 Ų | 125 | 122.1 Ų | 122.1 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | trans | -127.9 | 91.5 | 163.8 | -74.8 | -60.9 | 0 | 0 | 0 | 108.2 | I12 | I12-D14 HydrophobicContact CG2-CB 3.94Å; I12-D14 PolarHBondContact O-N 2.98Å | ||
| 15 | N | 51.9 | Low | 50.7 | Low | 141 Ų | 141 | 123.9 Ų | 123.9 | 75% | 0.754 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 127.2 | 158.3 | -169.3 | 38.9 | 0 | 0 | 0 | 107.2 | ||
| 16 | P | 54.3 | Low | 50.9 | Low | 99 Ų | 99 | 125.8 Ų | 125.8 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 141.8 | -174.9 | 20.5 | -32.3 | 0 | 0 | 0 | 110.7 | A18 | P16-A18 PolarHBondContact O-N 2.68Š|
| 17 | P | 56.3 | Low | 51.3 | Low | 124 Ų | 124 | 123.8 Ų | 123.8 | 81% | 0.805 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 132.5 | 179.9 | 23.6 | -31.8 | 0 | 0 | 0 | 109.2 | ||
| 18 | A | 53 | Low | 51.8 | Low | 51 Ų | 51 | 124.7 Ų | 124.7 | 42% | 0.421 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 142 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | P16 | P16-A18 PolarHBondContact O-N 2.68Š|
| 19 | P | 55.7 | Low | 52.3 | Low | 87 Ų | 87 | 121.3 Ų | 121.3 | 57% | 0.565 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 150.2 | 177.1 | 28.2 | -35.2 | 0 | 0 | 0 | 110.9 | N21 V22 | P19-N21 VanDerWaalsContact CB-OD1 3.3Å; P19-N21 WeakPolarHBondContact CB-OD1 3.14Å; P19-N21 WeakPolarHBondContact CG-OD1 3.45Å; P19-N21 PolarHBondContact O-N 3.12Å; P19-N21 PolarHBondContact O-OD1 3.37Å; P19-V22 HydrophobicContact CG-CG2 4.43Å; P19-V22 PolarHBondContact O-N 3.42Å |
| 20 | D | 56.9 | Low | 52.7 | Low | 178 Ų | 178 | 119.8 Ų | 119.8 | 95% | 0.952 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -9 | -167.4 | -72.5 | -34.2 | 0 | 0 | 0 | 115.8 | ||
| 21 | N | 54.2 | Low | 52.8 | Low | 85 Ų | 85 | 122.9 Ų | 122.9 | 46% | 0.455 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96 | 20.2 | -176.6 | 50 | -14.3 | 0 | 0 | 0 | 114 | P19 | P19-N21 VanDerWaalsContact CB-OD1 3.3Å; P19-N21 WeakPolarHBondContact CB-OD1 3.14Å; P19-N21 WeakPolarHBondContact CG-OD1 3.45Å; P19-N21 PolarHBondContact O-N 3.12Å; P19-N21 PolarHBondContact O-OD1 3.37Å |
| 22 | V | 54.6 | Low | 53 | Low | 32 Ų | 32 | 121.7 Ų | 121.7 | 19% | 0.194 | 66% | 0.656 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.1 | 111 | 179.2 | -176.3 | 0 | 0 | 0 | 0 | 111 | P19 R24 V30 | P19-V22 HydrophobicContact CG-CG2 4.43Å; P19-V22 PolarHBondContact O-N 3.42Å; V22-R24 HydrophobicContact CG1-CG 4.07Å; V22-V30 HydrophobicContact CG1-CG1 4.02Å |
| 23 | V | 56.8 | Low | 53.5 | Low | 100 Ų | 100 | 121.2 Ų | 121.2 | 61% | 0.606 | 65% | 0.653 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.9 | 120.2 | 168.2 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | ||
| 24 | R | 52.8 | Low | 53.3 | Low | 186 Ų | 186 | 122.1 Ų | 122.1 | 70% | 0.702 | 65% | 0.65 | S | S | * | * | trans | -104.5 | 110.2 | 174.3 | -68.1 | -172.7 | 172.6 | -163.9 | -3.1 | 109.5 | V22 | V22-R24 HydrophobicContact CG1-CG 4.07Š| ||
| 25 | E | 48.3 | Very low | 53.6 | Low | 169 Ų | 169 | 124.7 Ų | 124.7 | 79% | 0.79 | 66% | 0.658 | S | S | * | * | trans | -114.6 | 116.6 | 160 | -76.6 | -172.9 | 157.6 | 0 | 0 | 107.8 | ||||
| 26 | D | 49.2 | Very low | 53.7 | Low | 169 Ų | 169 | 126.3 Ų | 126.3 | 90% | 0.904 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 24 | 102.3 | 165.2 | -56.5 | -30.9 | 0 | 0 | 0 | 118.6 | ||
| 27 | G | 55.5 | Low | 53.6 | Low | 65 Ų | 65 | 130.4 Ų | 130.4 | 67% | 0.67 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 94.3 | 87.1 | 156.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | T29 | G27-T29 VanDerWaalsContact C-N 3.31Å; G27-T29 PolarHBondContact O-N 2.97Å |
| 28 | D | 57.8 | Low | 53.5 | Low | 177 Ų | 177 | 129.6 Ų | 129.6 | 95% | 0.947 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 62.3 | 12.5 | 151.2 | -131.6 | 22.4 | 0 | 0 | 0 | 119.4 | ||
| 29 | T | 51.3 | Low | 53.7 | Low | 84 Ų | 84 | 136.1 Ų | 136.1 | 52% | 0.515 | 69% | 0.686 | S | S | . | * | trans | -123.3 | 123.3 | 171.3 | -51.1 | 0 | 0 | 0 | 0 | 111.1 | G27 Y31 | G27-T29 VanDerWaalsContact C-N 3.31Å; G27-T29 PolarHBondContact O-N 2.97Å; T29-Y31 HydrophobicContact CG2-CE1 4.36Å; T29-Y31 HydrophobicContact CG2-CE2 3.98Å | ||
| 30 | V | 54.9 | Low | 53.8 | Low | 72 Ų | 72 | 137.5 Ų | 137.5 | 44% | 0.436 | 69% | 0.693 | S | S | . | * | trans | -105.8 | 121.1 | 178.2 | -179.4 | 0 | 0 | 0 | 0 | 109 | V22 F32 | V22-V30 HydrophobicContact CG1-CG1 4.02Å; V30-F32 HydrophobicContact CG1-CD2 4.47Å; V30-F32 HydrophobicContact CG1-CE1 4.26Å; V30-F32 HydrophobicContact CG1-CE2 3.96Å; V30-F32 HydrophobicContact CG1-CZ 3.84Å | ||
| 31 | Y | 48.9 | Very low | 54.1 | Low | 171 Ų | 171 | 137.6 Ų | 137.6 | 67% | 0.671 | 69% | 0.688 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.6 | 127 | 171.2 | -61.7 | -82.1 | 0 | 0 | 0 | 109.7 | T29 | T29-Y31 HydrophobicContact CG2-CE1 4.36Å; T29-Y31 HydrophobicContact CG2-CE2 3.98Å |
| 32 | F | 53 | Low | 54.5 | Low | 136 Ų | 136 | 142.1 Ų | 142.1 | 60% | 0.596 | 71% | 0.706 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.2 | 120.1 | 170.7 | -61.6 | -85 | 0 | 0 | 0 | 108.4 | V30 Y34 | V30-F32 HydrophobicContact CG1-CD2 4.47Å; V30-F32 HydrophobicContact CG1-CE1 4.26Å; V30-F32 HydrophobicContact CG1-CE2 3.96Å; V30-F32 HydrophobicContact CG1-CZ 3.84Å; F32-Y34 HydrophobicContact CB-CE2 4.16Å; F32-Y34 PolarHBondContact O-N 2.83Å |
| 33 | I | 53 | Low | 55 | Low | 111 Ų | 111 | 148.7 Ų | 148.7 | 57% | 0.569 | 73% | 0.732 | S | S | * | * | trans | -78.9 | 107 | 170.8 | -56.8 | 174.4 | 0 | 0 | 0 | 106.5 | E35 | I33-E35 PolarHBondContact O-N 2.92Š| ||
| 34 | Y | 51.9 | Low | 55.6 | Low | 203 Ų | 203 | 152.1 Ų | 152.1 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | trans | -77.7 | 103.6 | 167 | -70.8 | -89.1 | 0 | 0 | 0 | 107.3 | F32 E36 | F32-Y34 HydrophobicContact CB-CE2 4.16Å; F32-Y34 PolarHBondContact O-N 2.83Å; Y34-E36 VanDerWaalsContact C-N 3.33Å; Y34-E36 PolarHBondContact O-N 2.84Å | ||
| 35 | E | 55.9 | Low | 56.3 | Low | 178 Ų | 178 | 149 Ų | 149 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | -66.7 | 99.7 | 161.3 | -72.6 | -179.2 | 169.3 | 0 | 0 | 106.7 | I33 E37 | I33-E35 PolarHBondContact O-N 2.92Å; E35-E37 PolarHBondContact O-N 3.08Å | ||
| 36 | E | 53.1 | Low | 57.4 | Low | 175 Ų | 175 | 148.1 Ų | 148.1 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -66.1 | 101.8 | 171.3 | -164.9 | 169.4 | -160 | 0 | 0 | 106.6 | Y34 V38 | Y34-E36 VanDerWaalsContact C-N 3.33Å; Y34-E36 PolarHBondContact O-N 2.84Å; E36-V38 PolarHBondContact O-N 2.89Å | ||
| 37 | E | 51.8 | Low | 58.5 | Low | 185 Ų | 185 | 145.4 Ų | 145.4 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | trans | -61.3 | 89.6 | 167.2 | -72.2 | -176.7 | 175.5 | 0 | 0 | 107.3 | E35 E39 | E35-E37 PolarHBondContact O-N 3.08Å; E37-E39 VanDerWaalsContact C-N 3.32Å; E37-E39 PolarHBondContact O-N 3.49Å | ||
| 38 | V | 55.9 | Low | 59.5 | Low | 107 Ų | 107 | 147.7 Ų | 147.7 | 65% | 0.648 | 74% | 0.736 | S | S | * | * | trans | -67.3 | 98.9 | 167.9 | -175.5 | 0 | 0 | 0 | 0 | 105.6 | E36 V40 | E36-V38 PolarHBondContact O-N 2.89Å; V38-V40 HydrophobicContact CG1-CG2 4.39Å; V38-V40 PolarHBondContact O-N 2.99Å | ||
| 39 | E | 56.7 | Low | 60 | Low | 188 Ų | 188 | 145.1 Ų | 145.1 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | trans | -56.1 | 94.7 | 160.3 | -82.9 | -175 | 153.6 | 0 | 0 | 106.6 | E37 E41 | E37-E39 VanDerWaalsContact C-N 3.32Å; E37-E39 PolarHBondContact O-N 3.49Å; E39-E41 PolarHBondContact O-N 3.36Å | ||
| 40 | V | 57.8 | Low | 60.7 | Low | 116 Ų | 116 | 149.5 Ų | 149.5 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | trans | -68.2 | 94.8 | 165.8 | -176.6 | 0 | 0 | 0 | 0 | 104.4 | V38 E42 | V38-V40 HydrophobicContact CG1-CG2 4.39Å; V38-V40 PolarHBondContact O-N 2.99Å; V40-E42 VanDerWaalsContact C-N 3.26Å; V40-E42 PolarHBondContact O-N 3.45Å | ||
| 41 | E | 62.4 | Low | 60.9 | Low | 181 Ų | 181 | 151.1 Ų | 151.1 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | -55.9 | 97.5 | 168.8 | -163 | 176.2 | -162.8 | 0 | 0 | 106.3 | E39 K43 | E39-E41 PolarHBondContact O-N 3.36Å; E41-K43 PolarHBondContact O-N 2.82Å | ||
| 42 | E | 62.4 | Low | 61.3 | Low | 179 Ų | 179 | 149 Ų | 149 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -61 | 93.6 | 174.2 | -76.9 | -168.7 | 156.5 | 0 | 0 | 106.5 | V40 E44 | V40-E42 VanDerWaalsContact C-N 3.26Å; V40-E42 PolarHBondContact O-N 3.45Å; E42-E44 PolarHBondContact O-N 2.62Å | ||
| 43 | K | 65.2 | Low | 61.2 | Low | 170 Ų | 170 | 148.3 Ų | 148.3 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | trans | -57.6 | 109.4 | 176.8 | -167 | -179.8 | -177.9 | -169.9 | 0 | 106.9 | E41 E46 | E41-K43 PolarHBondContact O-N 2.82Å; K43-E46 IonicContact NZ-OE1 3.74Å | ||
| 44 | E | 69.7 | Low | 61.4 | Low | 172 Ų | 172 | 150.9 Ų | 150.9 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -45.8 | 134.2 | 177.2 | -84.1 | -171.9 | 140.6 | 0 | 0 | 109.1 | E42 E46 | E42-E44 PolarHBondContact O-N 2.62Å; E44-E46 PolarHBondContact O-N 2.93Å; E44-E46 VanDerWaalsContact O-N 3.07Å | ||
| 45 | P | 68 | Low | 61.6 | Low | 121 Ų | 121 | 147.8 Ų | 147.8 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 122.6 | 176.7 | 23.4 | -32 | 0 | 0 | 0 | 108.2 | ||
| 46 | E | 70.2 | Confident | 61.8 | Low | 150 Ų | 150 | 140.6 Ų | 140.6 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 132 | -179.9 | -70.4 | -175.9 | 179 | 0 | 0 | 109.1 | K43 E44 | K43-E46 IonicContact NZ-OE1 3.74Å; E44-E46 PolarHBondContact O-N 2.93Å; E44-E46 VanDerWaalsContact O-N 3.07Å |
| 47 | P | 72.4 | Confident | 62.7 | Low | 112 Ų | 112 | 138.6 Ų | 138.6 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 137.7 | -179.6 | 22.1 | -32.2 | 0 | 0 | 0 | 108.4 | ||
| 48 | P | 76.1 | Confident | 64.1 | Low | 113 Ų | 113 | 135.5 Ų | 135.5 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 134.5 | -178.3 | 17.8 | -29.5 | 0 | 0 | 0 | 108.9 | E50 | P48-E50 PolarHBondContact O-N 3.22Å; P48-E50 VanDerWaalsContact O-N 3.12Å |
| 49 | P | 69.4 | Low | 65.5 | Low | 123 Ų | 123 | 133.6 Ų | 133.6 | 80% | 0.799 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 126.7 | -174.7 | 19.7 | -32 | 0 | 0 | 0 | 108.5 | ||
| 50 | E | 64.8 | Low | 67 | Low | 176 Ų | 176 | 126.1 Ų | 126.1 | 82% | 0.822 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -48 | 133.6 | -179.6 | -71.3 | -173.3 | 172.2 | 0 | 0 | 108.7 | P48 V52 | P48-E50 PolarHBondContact O-N 3.22Å; P48-E50 VanDerWaalsContact O-N 3.12Å; E50-V52 PolarHBondContact O-N 3.12Å |
| 51 | P | 59.5 | Low | 68.4 | Low | 106 Ų | 106 | 126.9 Ų | 126.9 | 69% | 0.688 | 65% | 0.654 | S | S | * | * | trans | -56.8 | 115.4 | -178 | 23.6 | -32.7 | 0 | 0 | 0 | 107.3 | I53 | P51-I53 VanDerWaalsContact C-N 3.3Å; P51-I53 WeakPolarHBondContact O-CG1 3.04Å; P51-I53 PolarHBondContact O-N 3.47Å | ||
| 52 | V | 57.3 | Low | 69.8 | Low | 127 Ų | 127 | 120.1 Ų | 120.1 | 77% | 0.77 | 62% | 0.622 | S | S | * | * | trans | -54.7 | 99.8 | -179.9 | -177.8 | 0 | 0 | 0 | 0 | 107.3 | E50 R54 | E50-V52 PolarHBondContact O-N 3.12Å; V52-R54 PolarHBondContact O-N 3.23Å | ||
| 53 | I | 52.5 | Low | 71.1 | Confident | 121 Ų | 121 | 117.8 Ų | 117.8 | 62% | 0.621 | 61% | 0.609 | S | S | * | * | trans | -69 | 95.2 | 171.7 | -57.7 | 177.1 | 0 | 0 | 0 | 102.6 | P51 I55 | P51-I53 VanDerWaalsContact C-N 3.3Å; P51-I53 WeakPolarHBondContact O-CG1 3.04Å; P51-I53 PolarHBondContact O-N 3.47Å; I53-I55 PolarHBondContact O-N 2.88Å | ||
| 54 | R | 56.5 | Low | 72.4 | Confident | 166 Ų | 166 | 114.5 Ų | 114.5 | 63% | 0.626 | 60% | 0.6 | S | S | * | * | trans | -57 | 100.2 | 170.2 | -69.6 | -162.2 | -177.9 | -176.3 | 5.2 | 105.9 | V52 N56 D325 | V52-R54 PolarHBondContact O-N 3.23Å; R54-N56 PolarHBondContact O-N 3.5Å; R54-N56 VanDerWaalsContact O-N 3.09Å; R54-D325 IonicContact CZ-OD1 3.6Å; R54-D325 IonicContact CZ-OD2 2.68Å; R54-D325 IonicContact NH1-OD2 3.95Å; R54-D325 PolarHBondContact NH1-OD2 3.42Å; R54-D325 IonicContact NH2-OD1 3.12Å; R54-D325 PolarHBondContact NH2-OD1 2.81Å; R54-D325 VanDerWaalsContact NH2-OD1 3.09Å; R54-D325 IonicContact NH2-OD2 3.04Å; R54-D325 PolarHBondContact NH2-OD2 3.2Å | ||
| 55 | I | 54.9 | Low | 73.2 | Confident | 137 Ų | 137 | 109.1 Ų | 109.1 | 70% | 0.703 | 57% | 0.574 | S | S | * | * | trans | -56.3 | 121.6 | 177.4 | -65.3 | 170.2 | 0 | 0 | 0 | 104.8 | I53 D57 | I53-I55 PolarHBondContact O-N 2.88Å; I55-D57 VanDerWaalsContact C-N 3.31Å; I55-D57 PolarHBondContact O-N 3.13Å | ||
| 56 | N | 61.8 | Low | 74.1 | Confident | 27 Ų | 27 | 108.7 Ų | 108.7 | 14% | 0.144 | 56% | 0.558 | C | S | . | * | trans | -72.4 | 92.6 | -177.1 | -178 | 0.7 | 0 | 0 | 0 | 108.1 | R54 K58 P59 E106 Q108 R109 | R54-N56 PolarHBondContact O-N 3.5Å; R54-N56 VanDerWaalsContact O-N 3.09Å; N56-K58 PolarHBondContact O-N 3.44Å; N56-K58 VanDerWaalsContact OD1-C 3.23Å; N56-K58 PolarHBondContact OD1-N 2.63Å; N56-K58 PolarHBondContact OD1-O 2.9Å; N56-P59 WeakPolarHBondContact ND2-CA 3.47Å; N56-P59 WeakPolarHBondContact O-CD 3.08Å; N56-E106 PolarHBondContact ND2-O 2.86Å; N56-Q108 PolarHBondContact ND2-N 2.95Å; N56-Q108 PolarHBondContact ND2-O 3.29Å; N56-R109 VanDerWaalsContact OD1-CA 3.25Å; N56-R109 WeakPolarHBondContact OD1-CA 3.23Å | ||
| 57 | D | 71.7 | Confident | 74.6 | Confident | 133 Ų | 133 | 101.7 Ų | 101.7 | 71% | 0.711 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -58.1 | -18.3 | -176.5 | -59.3 | -40 | 0 | 0 | 0 | 113.4 | I55 | I55-D57 VanDerWaalsContact C-N 3.31Å; I55-D57 PolarHBondContact O-N 3.13Å |
| 58 | K | 81.2 | Confident | 74.9 | Confident | 120 Ų | 120 | 105 Ų | 105 | 52% | 0.522 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -137.8 | 80 | 177.2 | -63.4 | -174.5 | -179.2 | -176.5 | 0 | 110.5 | N56 R109 C110 | N56-K58 PolarHBondContact O-N 3.44Å; N56-K58 VanDerWaalsContact OD1-C 3.23Å; N56-K58 PolarHBondContact OD1-N 2.63Å; N56-K58 PolarHBondContact OD1-O 2.9Å; K58-R109 HydrophobicContact CB-CG 4.1Å; K58-C110 WeakPolarHBondContact O-CB 3.46Å; K58-C110 PolarHBondContact O-N 3.47Å |
| 59 | P | 84.9 | Confident | 75.1 | Confident | 68 Ų | 68 | 107.1 Ų | 107.1 | 44% | 0.442 | 53% | 0.526 | S | S | . | . | trans | -72 | 153.9 | -178.5 | 30.4 | -33.2 | 0 | 0 | 0 | 112.2 | N56 K61 | N56-P59 WeakPolarHBondContact ND2-CA 3.47Å; N56-P59 WeakPolarHBondContact O-CD 3.08Å; P59-K61 PolarHBondContact O-N 2.83Å | ||
| 60 | H | 87.2 | Confident | 75.7 | Confident | 30 Ų | 30 | 106 Ų | 106 | 14% | 0.139 | 52% | 0.519 | C | S | . | . | trans | -69 | 128.5 | 172.2 | -74 | -93.2 | 0 | 0 | 0 | 110.7 | F62 C90 C93 Q108 C110 | H60-F62 HydrophobicContact CB-CD2 3.76Å; H60-F62 HydrophobicContact CB-CE1 4.48Å; H60-F62 HydrophobicContact CB-CE2 3.19Å; H60-F62 HydrophobicContact CB-CZ 3.58Å; H60-F62 AromaticContact CG-CE2 3.84Å; H60-F62 AromaticContact CG-CZ 3.8Å; H60-F62 AromaticContact ND1-CZ 3.92Å; H60-F62 PolarHBondContact O-N 2.79Å; H60-C90 PolarHBondContact ND1-SG 3.02Å; H60-C90 VanDerWaalsContact ND1-SG 3.45Å; H60-C93 PolarHBondContact CE1-SG 2.79Å; H60-C93 PolarHBondContact ND1-SG 3.02Å; H60-Q108 PolarHBondContact CD2-O 3.47Å; H60-Q108 VanDerWaalsContact CD2-O 3.24Å; H60-C110 HydrophobicContact CB-CB 4.49Å | ||
| 61 | K | 88.9 | Confident | 76.5 | Confident | 132 Ų | 132 | 101.7 Ų | 101.7 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | trans | -94.2 | 85.7 | 172.7 | -64.1 | -175.7 | -179.7 | -176.2 | 0 | 110.4 | P59 C90 K91 | P59-K61 PolarHBondContact O-N 2.83Å; K61-C90 CarbonylContact O-C 3.49Å; K61-C90 WeakPolarHBondContact O-CA 3.24Å; K61-K91 HydrophobicContact CB-CB 4.44Å; K61-K91 PolarHBondContact O-N 2.98Å | ||
| 62 | F | 91.3 | Very high | 77.7 | Confident | 39 Ų | 39 | 102.8 Ų | 102.8 | 17% | 0.171 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 145.4 | 178.9 | -69 | -72.6 | 0 | 0 | 0 | 112.3 | H60 L88 C90 I97 Q102 V105 | H60-F62 HydrophobicContact CB-CD2 3.76Å; H60-F62 HydrophobicContact CB-CE1 4.48Å; H60-F62 HydrophobicContact CB-CE2 3.19Å; H60-F62 HydrophobicContact CB-CZ 3.58Å; H60-F62 AromaticContact CG-CE2 3.84Å; H60-F62 AromaticContact CG-CZ 3.8Å; H60-F62 AromaticContact ND1-CZ 3.92Å; H60-F62 PolarHBondContact O-N 2.79Å; F62-L88 HydrophobicContact CB-CB 4.28Å; F62-L88 HydrophobicContact CB-CD2 4.3Å; F62-L88 HydrophobicContact CD1-CB 4.03Å; F62-L88 HydrophobicContact CG-CB 4.37Å; F62-C90 HydrophobicContact CD1-CB 3.93Å; F62-C90 HydrophobicContact CE1-CB 3.67Å; F62-C90 HydrophobicContact CZ-CB 4.28Å; F62-I97 HydrophobicContact CD1-CD1 4.07Å; F62-I97 HydrophobicContact CD1-CG1 4.27Å; F62-I97 HydrophobicContact CD2-CD1 4.36Å; F62-I97 HydrophobicContact CE1-CD1 3.59Å; F62-I97 HydrophobicContact CE1-CG1 3.93Å; F62-I97 HydrophobicContact CE2-CD1 3.9Å; F62-I97 HydrophobicContact CG-CD1 4.45Å; F62-I97 HydrophobicContact CZ-CD1 3.52Å; F62-I97 HydrophobicContact CZ-CG1 4.34Å; F62-Q102 HydrophobicContact CD2-CG 4.36Å; F62-V105 HydrophobicContact CE2-CG2 3.55Å; F62-V105 HydrophobicContact CZ-CG2 3.64Å |
| 63 | K | 90.6 | Very high | 79.1 | Confident | 131 Ų | 131 | 96.9 Ų | 96.9 | 57% | 0.57 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 148.5 | 169.5 | -172.8 | 173.2 | -179.9 | 177.9 | 0 | 108.9 | H65 R89 | K63-H65 PolarHBondContact O-N 3.04Å; K63-R89 PolarHBondContact N-O 3.27Å; K63-R89 PolarHBondContact O-N 2.87Å |
| 64 | D | 90.8 | Very high | 80.6 | Confident | 101 Ų | 101 | 94.4 Ų | 94.4 | 54% | 0.54 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 131.9 | 172.4 | -62.4 | -8.8 | 0 | 0 | 0 | 110.5 | L88 H99 | D64-L88 VanDerWaalsContact OD1-CD2 3.26Å; D64-L88 WeakPolarHBondContact OD1-CD2 3.42Å; D64-H99 IonicContact OD1-CE1 3.16Å; D64-H99 PolarHBondContact OD1-CE1 2.91Å; D64-H99 IonicContact OD1-NE2 3.71Å |
| 65 | H | 86.9 | Confident | 81.8 | Confident | 59 Ų | 59 | 87 Ų | 87 | 27% | 0.273 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 135 | -177.4 | 176.9 | -85.1 | 0 | 0 | 0 | 109.6 | K63 C67 C87 R89 | K63-H65 PolarHBondContact O-N 3.04Å; H65-C67 PolarHBondContact O-N 3.2Å; H65-C87 PolarHBondContact N-O 3.43Å; H65-C87 PolarHBondContact O-N 3.23Å; H65-C87 VanDerWaalsContact O-O 3.14Å; H65-C87 PolarHBondContact O-SG 3.13Å; H65-R89 HydrophobicContact CB-CB 3.6Å; H65-R89 PolarHBondContact CE1-NH1 3.4Å; H65-R89 VanDerWaalsContact CE1-NH1 3.33Å; H65-R89 PolarHBondContact CE1-NH2 3.45Å; H65-R89 VanDerWaalsContact NE2-CZ 3.35Å; H65-R89 PolarHBondContact NE2-NH1 2.89Å |
| 66 | Y | 86.5 | Confident | 83 | Confident | 111 Ų | 111 | 81.6 Ų | 81.6 | 44% | 0.435 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 108.7 | 174.6 | -175.8 | -95.3 | 0 | 0 | 0 | 110.5 | K68 K85 F86 | Y66-K68 HydrophobicContact CD1-CG 3.99Å; Y66-K68 HydrophobicContact CE1-CG 4.25Å; Y66-K68 PolarHBondContact O-N 3.19Å; Y66-K85 HydrophobicContact CD2-CB 4.13Å; Y66-K85 HydrophobicContact CE1-CD 4.41Å; Y66-K85 HydrophobicContact CE2-CB 3.78Å; Y66-K85 HydrophobicContact CE2-CD 4.34Å; Y66-K85 HydrophobicContact CE2-CG 4.44Å; Y66-F86 HydrophobicContact CD2-CE1 4.34Å |
| 67 | C | 80.8 | Confident | 83.9 | Confident | 4 Ų | 4 | 83.7 Ų | 83.7 | 3% | 0.027 | 41% | 0.412 | C | S | . | . | trans | -75.6 | 90.7 | -179.1 | -86.8 | 0 | 0 | 0 | 0 | 110.7 | H65 K69 K71 K85 C87 | H65-C67 PolarHBondContact O-N 3.2Å; C67-K69 VanDerWaalsContact C-N 3.25Å; C67-K69 PolarHBondContact O-N 3.39Å; C67-K71 HydrophobicContact CB-CG 4.29Å; C67-K85 WeakPolarHBondContact CB-O 3.4Å; C67-K85 PolarHBondContact N-O 2.9Å; C67-C87 HydrophobicContact CB-CB 4.25Å; C67-C87 WeakPolarHBondContact CB-SG 3.35Å; C67-C87 WeakPolarHBondContact SG-CB 3.17Å; C67-C87 CovalentContact SG-SG 2.07Å; C67-C87 PolarHBondContact SG-SG 3.27Å | ||
| 68 | K | 79.7 | Confident | 84.4 | Confident | 180 Ų | 180 | 85.5 Ų | 85.5 | 78% | 0.783 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -57 | -31.2 | -179.7 | -66.6 | -174.1 | 178.5 | -174.5 | 0 | 114.7 | Y66 | Y66-K68 HydrophobicContact CD1-CG 3.99Å; Y66-K68 HydrophobicContact CE1-CG 4.25Å; Y66-K68 PolarHBondContact O-N 3.19Å |
| 69 | K | 79.9 | Confident | 84.6 | Confident | 158 Ų | 158 | 83.6 Ų | 83.6 | 69% | 0.687 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -116.3 | 154.4 | 175.9 | -65.7 | -172.6 | 178.5 | -173.2 | 0 | 109 | C67 K71 | C67-K69 VanDerWaalsContact C-N 3.25Å; C67-K69 PolarHBondContact O-N 3.39Å; K69-K71 PolarHBondContact O-N 2.93Å |
| 70 | P | 81.3 | Confident | 84.6 | Confident | 100 Ų | 100 | 80.7 Ų | 80.7 | 65% | 0.649 | 38% | 0.384 | S | S | * | . | trans | -51.3 | 124.4 | 170.4 | -25 | 34.2 | 0 | 0 | 0 | 110.4 | M79 | P70-M79 HydrophobicContact CB-SD 4.13Š| ||
| 71 | K | 82.8 | Confident | 83.9 | Confident | 86 Ų | 86 | 84 Ų | 84 | 37% | 0.374 | 41% | 0.406 | S | S | . | . | trans | -122.2 | 142.8 | 175.7 | -68.7 | -58.2 | -176.1 | -178.8 | 0 | 108.4 | C67 K69 I80 | C67-K71 HydrophobicContact CB-CG 4.29Å; K69-K71 PolarHBondContact O-N 2.93Å; K71-I80 HydrophobicContact CB-CD1 4.27Å; K71-I80 WeakPolarHBondContact O-CB 3.5Å; K71-I80 WeakPolarHBondContact O-CG1 3.31Å; K71-I80 PolarHBondContact O-N 3.31Å | ||
| 72 | F | 84.6 | Confident | 82.4 | Confident | 129 Ų | 129 | 82 Ų | 82 | 57% | 0.566 | 40% | 0.401 | S | S | * | . | B | Isolated β-bridge | trans | -91.2 | 145.1 | 170.8 | -65 | -88.2 | 0 | 0 | 0 | 109.1 | R78 M79 | F72-R78 WeakPolarHBondContact CA-O 3.46Å; F72-M79 HydrophobicContact CD1-CB 4.11Å; F72-M79 HydrophobicContact CE1-CB 3.93Å |
| 73 | C | 85.8 | Confident | 80.9 | Confident | 2 Ų | 2 | 88.1 Ų | 88.1 | 1% | 0.014 | 44% | 0.435 | C | S | . | . | trans | -73.1 | 126.3 | 174.5 | 173.5 | 0 | 0 | 0 | 0 | 109.7 | V75 C76 A77 R78 I80 N96 H98 | C73-V75 PolarHBondContact O-N 3.46Å; C73-V75 PolarHBondContact SG-N 3.02Å; C73-C76 VanDerWaalsContact CB-SG 3.53Å; C73-C76 VanDerWaalsContact SG-SG 3.65Å; C73-A77 WeakPolarHBondContact O-CA 3.31Å; C73-A77 PolarHBondContact O-N 3.17Å; C73-R78 PolarHBondContact N-O 3.43Å; C73-I80 HydrophobicContact CB-CD1 4.22Å; C73-I80 HydrophobicContact CB-CG1 3.92Å; C73-N96 WeakPolarHBondContact CA-O 3.14Å; C73-H98 WeakPolarHBondContact CB-CE1 3.42Å; C73-H98 WeakPolarHBondContact CB-ND1 2.87Å; C73-H98 PolarHBondContact SG-N 3.24Å; C73-H98 PolarHBondContact SG-ND1 3.42Å; C73-H98 VanDerWaalsContact SG-ND1 3.37Å | ||
| 74 | D | 83.7 | Confident | 79.5 | Confident | 69 Ų | 69 | 87.1 Ų | 87.1 | 37% | 0.369 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16 | -178.7 | -66.6 | -51.3 | 0 | 0 | 0 | 112.9 | T95 N96 I97 V284 | D74-T95 HydrophobicContact CB-CG2 3.57Å; D74-T95 VanDerWaalsContact OD2-CA 3.32Å; D74-T95 WeakPolarHBondContact OD2-CA 3.44Å; D74-T95 WeakPolarHBondContact OD2-CG2 3.44Å; D74-N96 PolarHBondContact N-O 3.06Å; D74-N96 PolarHBondContact OD2-N 3.12Å; D74-I97 HydrophobicContact CB-CG2 4.41Å; D74-V284 HydrophobicContact CB-CG1 4.33Å; D74-V284 WeakPolarHBondContact O-CG1 3.17Å |
| 75 | V | 83.6 | Confident | 78.4 | Confident | 12 Ų | 12 | 87.1 Ų | 87.1 | 7% | 0.073 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -55.4 | 176.9 | -169.2 | 0 | 0 | 0 | 0 | 112.2 | C73 I97 C101 Y104 V105 V284 | C73-V75 PolarHBondContact O-N 3.46Å; C73-V75 PolarHBondContact SG-N 3.02Å; V75-I97 HydrophobicContact CG2-CB 4.06Å; V75-I97 HydrophobicContact CG2-CG2 3.56Å; V75-C101 HydrophobicContact CB-CB 3.82Å; V75-C101 HydrophobicContact CG1-CB 4.2Å; V75-C101 HydrophobicContact CG2-CB 3.76Å; V75-Y104 HydrophobicContact CG1-CD2 3.8Å; V75-Y104 HydrophobicContact CG1-CG 3.99Å; V75-V105 HydrophobicContact CG2-CG1 3.77Å; V75-V284 HydrophobicContact CB-CG2 4.18Å; V75-V284 HydrophobicContact CG1-CG2 4.1Å; V75-V284 HydrophobicContact CG2-CG2 3.96Å |
| 76 | C | 80.1 | Confident | 78.1 | Confident | 22 Ų | 22 | 88.9 Ų | 88.9 | 15% | 0.149 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -5.4 | -170.9 | 75.7 | 0 | 0 | 0 | 0 | 113.6 | C73 R78 H98 | C73-C76 VanDerWaalsContact CB-SG 3.53Å; C73-C76 VanDerWaalsContact SG-SG 3.65Å; C76-R78 PolarHBondContact O-N 3.23Å; C76-R78 PolarHBondContact SG-N 3.37Å; C76-H98 PolarHBondContact SG-CE1 2.93Å; C76-H98 PolarHBondContact SG-ND1 3.04Å |
| 77 | A | 80.8 | Confident | 78.1 | Confident | 72 Ų | 72 | 83.6 Ų | 83.6 | 60% | 0.595 | 42% | 0.418 | S | S | * | . | trans | 57.9 | 7.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | C73 | C73-A77 WeakPolarHBondContact O-CA 3.31Å; C73-A77 PolarHBondContact O-N 3.17Å | ||
| 78 | R | 82.1 | Confident | 78.6 | Confident | 170 Ų | 170 | 83.7 Ų | 83.7 | 64% | 0.642 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -85.9 | 153.8 | 174.4 | -60.8 | -174 | 179 | 115.3 | -4.1 | 110.8 | F72 C73 C76 | F72-R78 WeakPolarHBondContact CA-O 3.46Å; C73-R78 PolarHBondContact N-O 3.43Å; C76-R78 PolarHBondContact O-N 3.23Å; C76-R78 PolarHBondContact SG-N 3.37Å |
| 79 | M | 84.3 | Confident | 79 | Confident | 81 Ų | 81 | 78.1 Ų | 78.1 | 40% | 0.399 | 39% | 0.392 | S | S | . | . | B | Isolated β-bridge | trans | -62.2 | 137.9 | 176 | -173.7 | 168.2 | 55.2 | 0 | 0 | 110.4 | P70 F72 V81 H98 | P70-M79 HydrophobicContact CB-SD 4.13Å; F72-M79 HydrophobicContact CD1-CB 4.11Å; F72-M79 HydrophobicContact CE1-CB 3.93Å; M79-V81 VanDerWaalsContact C-N 3.26Å; M79-V81 HydrophobicContact CB-CG2 4.05Å; M79-V81 HydrophobicContact CE-CB 4.36Å; M79-V81 HydrophobicContact CE-CG1 3.66Å; M79-V81 HydrophobicContact CE-CG2 3.74Å; M79-V81 HydrophobicContact CG-CG1 4.24Å; M79-V81 HydrophobicContact CG-CG2 4.05Å; M79-V81 PolarHBondContact O-N 3.11Å; M79-V81 HydrophobicContact SD-CG1 4.22Å; M79-H98 PolarHBondContact O-NE2 2.84Å |
| 80 | I | 85.1 | Confident | 79.4 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | trans | -82.8 | 81.2 | 172.6 | -52.4 | 171.2 | 0 | 0 | 0 | 107.7 | K71 C73 C87 N96 H98 | K71-I80 HydrophobicContact CB-CD1 4.27Å; K71-I80 WeakPolarHBondContact O-CB 3.5Å; K71-I80 WeakPolarHBondContact O-CG1 3.31Å; K71-I80 PolarHBondContact O-N 3.31Å; C73-I80 HydrophobicContact CB-CD1 4.22Å; C73-I80 HydrophobicContact CB-CG1 3.92Å; I80-C87 HydrophobicContact CD1-CB 3.92Å; I80-C87 HydrophobicContact CG2-CB 3.8Å; I80-N96 HydrophobicContact CD1-CB 4.04Å; I80-H98 WeakPolarHBondContact CA-NE2 3.36Å | ||
| 81 | V | 71.4 | Confident | 79.8 | Confident | 101 Ų | 101 | 71.3 Ų | 71.3 | 61% | 0.612 | 35% | 0.352 | S | S | * | . | trans | -111.8 | 77.1 | 169.7 | -98.2 | 0 | 0 | 0 | 0 | 106.7 | M79 | M79-V81 VanDerWaalsContact C-N 3.26Å; M79-V81 HydrophobicContact CB-CG2 4.05Å; M79-V81 HydrophobicContact CE-CB 4.36Å; M79-V81 HydrophobicContact CE-CG1 3.66Å; M79-V81 HydrophobicContact CE-CG2 3.74Å; M79-V81 HydrophobicContact CG-CG1 4.24Å; M79-V81 HydrophobicContact CG-CG2 4.05Å; M79-V81 PolarHBondContact O-N 3.11Å; M79-V81 HydrophobicContact SD-CG1 4.22Å | ||
| 82 | L | 57.5 | Low | 79.9 | Confident | 90 Ų | 90 | 70 Ų | 70 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | trans | -91 | 153.1 | 156 | -92.1 | 94.2 | 0 | 0 | 0 | 108 | N84 K85 | L82-N84 PolarHBondContact O-N 3.17Å; L82-K85 PolarHBondContact O-N 3.47Å | ||
| 83 | N | 60.1 | Low | 79.9 | Confident | 166 Ų | 166 | 64.7 Ų | 64.7 | 89% | 0.888 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -2.4 | -178.8 | -77.4 | 5.3 | 0 | 0 | 0 | 115.3 | ||
| 84 | N | 62.1 | Low | 79.9 | Confident | 111 Ų | 111 | 69.9 Ų | 69.9 | 59% | 0.594 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.4 | 18.5 | 175.2 | -73.9 | -32.2 | 0 | 0 | 0 | 115.2 | L82 F86 | L82-N84 PolarHBondContact O-N 3.17Å; N84-F86 HydrophobicContact CB-CD2 3.31Å; N84-F86 HydrophobicContact CB-CE2 3.55Å; N84-F86 HydrophobicContact CB-CG 4.46Å; N84-F86 VanDerWaalsContact O-CD2 3.27Å; N84-F86 WeakPolarHBondContact O-CD2 3.35Å; N84-F86 PolarHBondContact O-N 3.38Å |
| 85 | K | 67.1 | Low | 79.9 | Confident | 100 Ų | 100 | 68 Ų | 68 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | trans | 49.9 | 18.9 | -178 | -56.5 | -175.8 | -171.2 | 169 | 0 | 115.1 | Y66 C67 L82 | Y66-K85 HydrophobicContact CD2-CB 4.13Å; Y66-K85 HydrophobicContact CE1-CD 4.41Å; Y66-K85 HydrophobicContact CE2-CB 3.78Å; Y66-K85 HydrophobicContact CE2-CD 4.34Å; Y66-K85 HydrophobicContact CE2-CG 4.44Å; C67-K85 WeakPolarHBondContact CB-O 3.4Å; C67-K85 PolarHBondContact N-O 2.9Å; L82-K85 PolarHBondContact O-N 3.47Å | ||
| 86 | F | 80.3 | Confident | 80.2 | Confident | 96 Ų | 96 | 68.2 Ų | 68.2 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 129.4 | 176.8 | -71.7 | -69 | 0 | 0 | 0 | 110.2 | Y66 N84 | Y66-F86 HydrophobicContact CD2-CE1 4.34Å; N84-F86 HydrophobicContact CB-CD2 3.31Å; N84-F86 HydrophobicContact CB-CE2 3.55Å; N84-F86 HydrophobicContact CB-CG 4.46Å; N84-F86 VanDerWaalsContact O-CD2 3.27Å; N84-F86 WeakPolarHBondContact O-CD2 3.35Å; N84-F86 PolarHBondContact O-N 3.38Å |
| 87 | C | 87.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 147.1 | -178.5 | 59.6 | 0 | 0 | 0 | 0 | 108.5 | H65 C67 I80 | H65-C87 PolarHBondContact N-O 3.43Å; H65-C87 PolarHBondContact O-N 3.23Å; H65-C87 VanDerWaalsContact O-O 3.14Å; H65-C87 PolarHBondContact O-SG 3.13Å; C67-C87 HydrophobicContact CB-CB 4.25Å; C67-C87 WeakPolarHBondContact CB-SG 3.35Å; C67-C87 WeakPolarHBondContact SG-CB 3.17Å; C67-C87 CovalentContact SG-SG 2.07Å; C67-C87 PolarHBondContact SG-SG 3.27Å; I80-C87 HydrophobicContact CD1-CB 3.92Å; I80-C87 HydrophobicContact CG2-CB 3.8Å |
| 88 | L | 90.1 | Very high | 81 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 122.5 | 169.7 | -73.4 | 176.8 | 0 | 0 | 0 | 108.5 | F62 D64 N96 I97 H99 Q102 | F62-L88 HydrophobicContact CB-CB 4.28Å; F62-L88 HydrophobicContact CB-CD2 4.3Å; F62-L88 HydrophobicContact CD1-CB 4.03Å; F62-L88 HydrophobicContact CG-CB 4.37Å; D64-L88 VanDerWaalsContact OD1-CD2 3.26Å; D64-L88 WeakPolarHBondContact OD1-CD2 3.42Å; L88-N96 WeakPolarHBondContact O-CA 3.17Å; L88-I97 HydrophobicContact CB-CD1 4.4Å; L88-I97 HydrophobicContact CB-CG1 3.69Å; L88-I97 HydrophobicContact CD1-CD1 4.43Å; L88-I97 HydrophobicContact CD1-CG1 4.35Å; L88-I97 PolarHBondContact N-O 3.48Å; L88-I97 PolarHBondContact O-N 3.24Å; L88-H99 HydrophobicContact CD1-CB 4.45Å; L88-Q102 HydrophobicContact CD1-CB 3.81Å; L88-Q102 HydrophobicContact CD1-CG 4.13Å |
| 89 | R | 89.1 | Confident | 81.3 | Confident | 63 Ų | 63 | 60.6 Ų | 60.6 | 24% | 0.238 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.5 | 175.4 | 179.4 | 175.9 | -72.8 | -172.9 | -2.6 | 110.9 | K63 H65 K91 T95 N96 | K63-R89 PolarHBondContact N-O 3.27Å; K63-R89 PolarHBondContact O-N 2.87Å; H65-R89 HydrophobicContact CB-CB 3.6Å; H65-R89 PolarHBondContact CE1-NH1 3.4Å; H65-R89 VanDerWaalsContact CE1-NH1 3.33Å; H65-R89 PolarHBondContact CE1-NH2 3.45Å; H65-R89 VanDerWaalsContact NE2-CZ 3.35Å; H65-R89 PolarHBondContact NE2-NH1 2.89Å; R89-K91 PolarHBondContact O-N 2.91Å; R89-T95 WeakPolarHBondContact CA-O 3.39Å; R89-N96 PolarHBondContact NE-OD1 3Å; R89-N96 PolarHBondContact NH2-OD1 3.06Å |
| 90 | C | 89 | Confident | 81.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 128.6 | 172.9 | -172 | 0 | 0 | 0 | 0 | 110.7 | H60 K61 F62 N92 C93 K94 T95 | H60-C90 PolarHBondContact ND1-SG 3.02Å; H60-C90 VanDerWaalsContact ND1-SG 3.45Å; K61-C90 CarbonylContact O-C 3.49Å; K61-C90 WeakPolarHBondContact O-CA 3.24Å; F62-C90 HydrophobicContact CD1-CB 3.93Å; F62-C90 HydrophobicContact CE1-CB 3.67Å; F62-C90 HydrophobicContact CZ-CB 4.28Å; C90-N92 PolarHBondContact O-N 3.03Å; C90-C93 WeakPolarHBondContact CB-SG 3.08Å; C90-K94 VanDerWaalsContact O-CA 3.28Å; C90-K94 WeakPolarHBondContact O-CA 3.44Å; C90-K94 PolarHBondContact O-N 3.49Å; C90-T95 PolarHBondContact N-O 2.81Å |
| 91 | K | 88.3 | Confident | 81.6 | Confident | 115 Ų | 115 | 61.1 Ų | 61.1 | 50% | 0.5 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -34 | 177.5 | -71.1 | -176.6 | -179.6 | 176.2 | 0 | 112.5 | K61 R89 K94 | K61-K91 HydrophobicContact CB-CB 4.44Å; K61-K91 PolarHBondContact O-N 2.98Å; R89-K91 PolarHBondContact O-N 2.91Å; K91-K94 PolarHBondContact O-NZ 2.98Å |
| 92 | N | 86.2 | Confident | 82.4 | Confident | 60 Ų | 60 | 60 Ų | 60 | 32% | 0.321 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -61.8 | -173.6 | -63.9 | -9.5 | 0 | 0 | 0 | 111.6 | C90 C110 G112 K113 | C90-N92 PolarHBondContact O-N 3.03Å; N92-C110 VanDerWaalsContact CB-SG 3.53Å; N92-G112 CarbonylContact O-C 3.59Å; N92-K113 VanDerWaalsContact O-CG 3.23Å; N92-K113 WeakPolarHBondContact O-CG 2.95Å; N92-K113 PolarHBondContact O-N 3.49Å |
| 93 | C | 83.4 | Confident | 83.7 | Confident | 17 Ų | 17 | 60.1 Ų | 60.1 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -2.9 | -174.6 | 63.7 | 0 | 0 | 0 | 0 | 115.8 | H60 C90 T95 C110 G112 | H60-C93 PolarHBondContact CE1-SG 2.79Å; H60-C93 PolarHBondContact ND1-SG 3.02Å; C90-C93 WeakPolarHBondContact CB-SG 3.08Å; C93-T95 PolarHBondContact O-N 3.17Å; C93-T95 PolarHBondContact SG-OG1 2.84Å; C93-C110 VanDerWaalsContact SG-SG 3.66Å; C93-G112 WeakPolarHBondContact CA-O 3.25Å; C93-G112 VanDerWaalsContact CB-O 3.27Å; C93-G112 WeakPolarHBondContact CB-O 3.47Å |
| 94 | K | 86.1 | Confident | 84.7 | Confident | 110 Ų | 110 | 57 Ų | 57 | 48% | 0.478 | 27% | 0.274 | S | S | . | . | trans | 61.9 | 7 | 179.8 | -51.3 | -55.7 | -172.3 | -162.5 | 0 | 116.4 | C90 K91 N96 | C90-K94 VanDerWaalsContact O-CA 3.28Å; C90-K94 WeakPolarHBondContact O-CA 3.44Å; C90-K94 PolarHBondContact O-N 3.49Å; K91-K94 PolarHBondContact O-NZ 2.98Å; K94-N96 PolarHBondContact O-ND2 3.34Å | ||
| 95 | T | 84.8 | Confident | 85.7 | Confident | 30 Ų | 30 | 51.9 Ų | 51.9 | 18% | 0.184 | 25% | 0.247 | C | C | . | . | trans | -50.3 | 137.3 | 167.4 | -57.2 | 0 | 0 | 0 | 0 | 110.7 | D74 R89 C90 C93 I97 | D74-T95 HydrophobicContact CB-CG2 3.57Å; D74-T95 VanDerWaalsContact OD2-CA 3.32Å; D74-T95 WeakPolarHBondContact OD2-CA 3.44Å; D74-T95 WeakPolarHBondContact OD2-CG2 3.44Å; R89-T95 WeakPolarHBondContact CA-O 3.39Å; C90-T95 PolarHBondContact N-O 2.81Å; C93-T95 PolarHBondContact O-N 3.17Å; C93-T95 PolarHBondContact SG-OG1 2.84Å; T95-I97 HydrophobicContact CG2-CG2 3.86Å | ||
| 96 | N | 87.9 | Confident | 86.3 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 9% | 0.091 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127 | 179 | -54.9 | -92.9 | 0 | 0 | 0 | 109.2 | C73 D74 I80 L88 R89 K94 | C73-N96 WeakPolarHBondContact CA-O 3.14Å; D74-N96 PolarHBondContact N-O 3.06Å; D74-N96 PolarHBondContact OD2-N 3.12Å; I80-N96 HydrophobicContact CD1-CB 4.04Å; L88-N96 WeakPolarHBondContact O-CA 3.17Å; R89-N96 PolarHBondContact NE-OD1 3Å; R89-N96 PolarHBondContact NH2-OD1 3.06Å; K94-N96 PolarHBondContact O-ND2 3.34Å |
| 97 | I | 89.4 | Confident | 86 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 160.9 | -177.9 | 69.2 | 177.6 | 0 | 0 | 0 | 110.6 | F62 D74 V75 L88 T95 C101 Q102 V105 | F62-I97 HydrophobicContact CD1-CD1 4.07Å; F62-I97 HydrophobicContact CD1-CG1 4.27Å; F62-I97 HydrophobicContact CD2-CD1 4.36Å; F62-I97 HydrophobicContact CE1-CD1 3.59Å; F62-I97 HydrophobicContact CE1-CG1 3.93Å; F62-I97 HydrophobicContact CE2-CD1 3.9Å; F62-I97 HydrophobicContact CG-CD1 4.45Å; F62-I97 HydrophobicContact CZ-CD1 3.52Å; F62-I97 HydrophobicContact CZ-CG1 4.34Å; D74-I97 HydrophobicContact CB-CG2 4.41Å; V75-I97 HydrophobicContact CG2-CB 4.06Å; V75-I97 HydrophobicContact CG2-CG2 3.56Å; L88-I97 HydrophobicContact CB-CD1 4.4Å; L88-I97 HydrophobicContact CB-CG1 3.69Å; L88-I97 HydrophobicContact CD1-CD1 4.43Å; L88-I97 HydrophobicContact CD1-CG1 4.35Å; L88-I97 PolarHBondContact N-O 3.48Å; L88-I97 PolarHBondContact O-N 3.24Å; T95-I97 HydrophobicContact CG2-CG2 3.86Å; I97-C101 HydrophobicContact CB-CB 4.28Å; I97-Q102 HydrophobicContact CD1-CB 4.26Å; I97-V105 HydrophobicContact CD1-CG2 3.58Å |
| 98 | H | 89.5 | Confident | 85.5 | Confident | 20 Ų | 20 | 54 Ų | 54 | 9% | 0.093 | 26% | 0.258 | C | S | . | . | trans | -70.3 | 156.3 | 165.5 | -58.4 | 107.8 | 0 | 0 | 0 | 110.5 | C73 C76 M79 I80 S100 C101 | C73-H98 WeakPolarHBondContact CB-CE1 3.42Å; C73-H98 WeakPolarHBondContact CB-ND1 2.87Å; C73-H98 PolarHBondContact SG-N 3.24Å; C73-H98 PolarHBondContact SG-ND1 3.42Å; C73-H98 VanDerWaalsContact SG-ND1 3.37Å; C76-H98 PolarHBondContact SG-CE1 2.93Å; C76-H98 PolarHBondContact SG-ND1 3.04Å; M79-H98 PolarHBondContact O-NE2 2.84Å; I80-H98 WeakPolarHBondContact CA-NE2 3.36Å; H98-S100 VanDerWaalsContact C-N 3.31Å; H98-S100 PolarHBondContact O-N 2.79Å; H98-C101 HydrophobicContact CB-CB 4.21Å; H98-C101 WeakPolarHBondContact O-CB 3.46Å; H98-C101 PolarHBondContact O-N 2.83Å | ||
| 99 | H | 88.8 | Confident | 85.1 | Confident | 83 Ų | 83 | 60.5 Ų | 60.5 | 38% | 0.384 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -56.3 | -45.3 | 171.3 | -77.6 | -99.1 | 0 | 0 | 0 | 112.1 | D64 L88 C101 Q102 | D64-H99 IonicContact OD1-CE1 3.16Å; D64-H99 PolarHBondContact OD1-CE1 2.91Å; D64-H99 IonicContact OD1-NE2 3.71Å; L88-H99 HydrophobicContact CD1-CB 4.45Å; H99-C101 PolarHBondContact O-N 3.08Å; H99-Q102 WeakPolarHBondContact O-CB 3.35Å; H99-Q102 PolarHBondContact O-N 2.68Å; H99-Q102 VanDerWaalsContact O-N 3.14Å |
| 100 | S | 88.2 | Confident | 84.8 | Confident | 90 Ų | 90 | 57.8 Ų | 57.8 | 63% | 0.629 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -65 | -6.1 | 175.7 | 58.9 | 0 | 0 | 0 | 0 | 114.6 | H98 H103 | H98-S100 VanDerWaalsContact C-N 3.31Å; H98-S100 PolarHBondContact O-N 2.79Å; S100-H103 PolarHBondContact O-CE1 3.31Å; S100-H103 PolarHBondContact O-ND1 2.88Å |
| 101 | C | 87.6 | Confident | 84.2 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 5% | 0.054 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -104.7 | -0.8 | 178.6 | -67.9 | 0 | 0 | 0 | 0 | 113.4 | V75 I97 H98 H99 Y104 | V75-C101 HydrophobicContact CB-CB 3.82Å; V75-C101 HydrophobicContact CG1-CB 4.2Å; V75-C101 HydrophobicContact CG2-CB 3.76Å; I97-C101 HydrophobicContact CB-CB 4.28Å; H98-C101 HydrophobicContact CB-CB 4.21Å; H98-C101 WeakPolarHBondContact O-CB 3.46Å; H98-C101 PolarHBondContact O-N 2.83Å; H99-C101 PolarHBondContact O-N 3.08Å; C101-Y104 HydrophobicContact CB-CD2 4.39Å; C101-Y104 PolarHBondContact O-N 2.93Å |
| 102 | Q | 87.9 | Confident | 83.9 | Confident | 78 Ų | 78 | 56.8 Ų | 56.8 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -62.6 | -44.6 | -175.9 | -177.1 | 177.3 | -24.8 | 0 | 0 | 112.9 | F62 L88 I97 H99 Y104 V105 E106 | F62-Q102 HydrophobicContact CD2-CG 4.36Å; L88-Q102 HydrophobicContact CD1-CB 3.81Å; L88-Q102 HydrophobicContact CD1-CG 4.13Å; I97-Q102 HydrophobicContact CD1-CB 4.26Å; H99-Q102 WeakPolarHBondContact O-CB 3.35Å; H99-Q102 PolarHBondContact O-N 2.68Å; H99-Q102 VanDerWaalsContact O-N 3.14Å; Q102-Y104 PolarHBondContact O-N 3.5Å; Q102-V105 WeakPolarHBondContact O-CG2 3.49Å; Q102-V105 PolarHBondContact O-N 3.3Å; Q102-E106 PolarHBondContact O-N 2.91Å |
| 103 | H | 84.9 | Confident | 83.3 | Confident | 93 Ų | 93 | 61.7 Ų | 61.7 | 43% | 0.431 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.4 | -26.7 | -177 | 68.4 | -72 | 0 | 0 | 0 | 112.8 | S100 V105 | S100-H103 PolarHBondContact O-CE1 3.31Å; S100-H103 PolarHBondContact O-ND1 2.88Å; H103-V105 PolarHBondContact O-N 3.49Å |
| 104 | Y | 81.5 | Confident | 82.2 | Confident | 101 Ų | 101 | 63.7 Ų | 63.7 | 40% | 0.396 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.9 | -22.3 | 177.5 | -65 | -64.7 | 0 | 0 | 0 | 113.4 | V75 C101 Q102 Q108 | V75-Y104 HydrophobicContact CG1-CD2 3.8Å; V75-Y104 HydrophobicContact CG1-CG 3.99Å; C101-Y104 HydrophobicContact CB-CD2 4.39Å; C101-Y104 PolarHBondContact O-N 2.93Å; Q102-Y104 PolarHBondContact O-N 3.5Å; Y104-Q108 PolarHBondContact O-NE2 3Å |
| 105 | V | 81.4 | Confident | 80.8 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -115 | -2.2 | -175.7 | -66.5 | 0 | 0 | 0 | 0 | 113.4 | F62 V75 I97 Q102 H103 F107 Q108 V284 | F62-V105 HydrophobicContact CE2-CG2 3.55Å; F62-V105 HydrophobicContact CZ-CG2 3.64Å; V75-V105 HydrophobicContact CG2-CG1 3.77Å; I97-V105 HydrophobicContact CD1-CG2 3.58Å; Q102-V105 WeakPolarHBondContact O-CG2 3.49Å; Q102-V105 PolarHBondContact O-N 3.3Å; H103-V105 PolarHBondContact O-N 3.49Å; V105-F107 VanDerWaalsContact C-N 3.3Å; V105-F107 PolarHBondContact O-N 2.93Å; V105-Q108 PolarHBondContact O-N 3.41Å; V105-Q108 VanDerWaalsContact O-N 3.08Å; V105-V284 HydrophobicContact CG1-CB 4.07Å; V105-V284 HydrophobicContact CG1-CG2 3.51Å |
| 106 | E | 80.1 | Confident | 78.9 | Confident | 107 Ų | 107 | 68.4 Ų | 68.4 | 50% | 0.5 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.1 | -42.3 | -179.4 | -176.5 | 163.7 | -156.1 | 0 | 0 | 112.1 | N56 Q102 Q108 | N56-E106 PolarHBondContact ND2-O 2.86Å; Q102-E106 PolarHBondContact O-N 2.91Å; E106-Q108 VanDerWaalsContact C-N 3.3Å; E106-Q108 PolarHBondContact O-N 3.47Å |
| 107 | F | 73.6 | Confident | 77.1 | Confident | 120 Ų | 120 | 71.2 Ų | 71.2 | 53% | 0.526 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 3.2 | 178.5 | -52.5 | -74.4 | 0 | 0 | 0 | 113.8 | V105 | V105-F107 VanDerWaalsContact C-N 3.3Å; V105-F107 PolarHBondContact O-N 2.93Å |
| 108 | Q | 77.7 | Confident | 75.3 | Confident | 15 Ų | 15 | 75.8 Ų | 75.8 | 7% | 0.07 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -97.5 | 137.3 | -177.2 | -62.8 | -176.7 | 34.6 | 0 | 0 | 112.6 | N56 H60 Y104 V105 E106 C110 F283 V284 | N56-Q108 PolarHBondContact ND2-N 2.95Å; N56-Q108 PolarHBondContact ND2-O 3.29Å; H60-Q108 PolarHBondContact CD2-O 3.47Å; H60-Q108 VanDerWaalsContact CD2-O 3.24Å; Y104-Q108 PolarHBondContact O-NE2 3Å; V105-Q108 PolarHBondContact O-N 3.41Å; V105-Q108 VanDerWaalsContact O-N 3.08Å; E106-Q108 VanDerWaalsContact C-N 3.3Å; E106-Q108 PolarHBondContact O-N 3.47Å; Q108-C110 PolarHBondContact O-N 3.43Å; Q108-F283 HydrophobicContact CG-CD2 4.09Å; Q108-V284 VanDerWaalsContact NE2-N 3.12Å; Q108-V284 VanDerWaalsContact OE1-CB 3.3Å; Q108-V284 PolarHBondContact OE1-O 3.42Å |
| 109 | R | 81.4 | Confident | 73.3 | Confident | 142 Ų | 142 | 85.4 Ų | 85.4 | 54% | 0.536 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 123.3 | 178.9 | -171.9 | 177 | 167.7 | 172.7 | -4.9 | 111.7 | N56 K58 F111 | N56-R109 VanDerWaalsContact OD1-CA 3.25Å; N56-R109 WeakPolarHBondContact OD1-CA 3.23Å; K58-R109 HydrophobicContact CB-CG 4.1Å; R109-F111 WeakPolarHBondContact O-CD2 3.34Å; R109-F111 WeakPolarHBondContact O-CE2 3.31Å; R109-F111 PolarHBondContact O-N 2.97Å |
| 110 | C | 84 | Confident | 71.4 | Confident | 6 Ų | 6 | 87.2 Ų | 87.2 | 4% | 0.041 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 122.2 | 173.4 | -173 | 0 | 0 | 0 | 0 | 110.7 | K58 H60 N92 C93 Q108 G112 | K58-C110 WeakPolarHBondContact O-CB 3.46Å; K58-C110 PolarHBondContact O-N 3.47Å; H60-C110 HydrophobicContact CB-CB 4.49Å; N92-C110 VanDerWaalsContact CB-SG 3.53Å; C93-C110 VanDerWaalsContact SG-SG 3.66Å; Q108-C110 PolarHBondContact O-N 3.43Å; C110-G112 VanDerWaalsContact C-N 3.27Å; C110-G112 PolarHBondContact O-N 3.05Å |
| 111 | F | 76.2 | Confident | 69.2 | Low | 74 Ų | 74 | 85.8 Ų | 85.8 | 33% | 0.325 | 43% | 0.429 | S | S | . | . | trans | -77.9 | -4.2 | 180 | -63.7 | -79.6 | 0 | 0 | 0 | 114.7 | R109 N286 | R109-F111 WeakPolarHBondContact O-CD2 3.34Å; R109-F111 WeakPolarHBondContact O-CE2 3.31Å; R109-F111 PolarHBondContact O-N 2.97Å; F111-N286 HydrophobicContact CD2-CB 4.19Å; F111-N286 HydrophobicContact CE2-CB 4.19Å | ||
| 112 | G | 81.9 | Confident | 67.2 | Low | 20 Ų | 20 | 94 Ų | 94 | 21% | 0.206 | 46% | 0.46 | C | S | . | . | trans | 69.1 | -167.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N92 C93 C110 I114 | N92-G112 CarbonylContact O-C 3.59Å; C93-G112 WeakPolarHBondContact CA-O 3.25Å; C93-G112 VanDerWaalsContact CB-O 3.27Å; C93-G112 WeakPolarHBondContact CB-O 3.47Å; C110-G112 VanDerWaalsContact C-N 3.27Å; C110-G112 PolarHBondContact O-N 3.05Å; G112-I114 PolarHBondContact O-N 3.22Å | ||
| 113 | K | 73 | Confident | 65.1 | Low | 162 Ų | 162 | 95.3 Ų | 95.3 | 70% | 0.704 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 116.5 | 176.2 | -64.4 | 179.6 | -175.5 | 174.1 | 0 | 107.8 | N92 | N92-K113 VanDerWaalsContact O-CG 3.23Å; N92-K113 WeakPolarHBondContact O-CG 2.95Å; N92-K113 PolarHBondContact O-N 3.49Å |
| 114 | I | 61.1 | Low | 62.9 | Low | 60 Ų | 60 | 94 Ų | 94 | 31% | 0.308 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 132.3 | 168.2 | -53.5 | 104.1 | 0 | 0 | 0 | 108 | G112 F118 E288 | G112-I114 PolarHBondContact O-N 3.22Å; I114-F118 HydrophobicContact CG2-CB 4.06Å; I114-E288 WeakPolarHBondContact CB-OE2 3.45Å; I114-E288 VanDerWaalsContact CD1-OE2 3.24Å; I114-E288 WeakPolarHBondContact CD1-OE2 3.43Å; I114-E288 WeakPolarHBondContact CG1-OE2 3.43Å; I114-E288 WeakPolarHBondContact CG2-OE2 3.41Å |
| 115 | P | 56 | Low | 61 | Low | 97 Ų | 97 | 94.6 Ų | 94.6 | 63% | 0.63 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 134.2 | 179.9 | -28.8 | 35.6 | 0 | 0 | 0 | 112.2 | G117 F118 | P115-G117 PolarHBondContact O-N 3.46Å; P115-F118 PolarHBondContact O-N 3.07Å |
| 116 | P | 43.8 | Very low | 58.9 | Low | 142 Ų | 142 | 102.2 Ų | 102.2 | 92% | 0.922 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 104.2 | 177 | 26.1 | -30.8 | 0 | 0 | 0 | 108.8 | ||
| 117 | G | 50.5 | Low | 57 | Low | 75 Ų | 75 | 105 Ų | 105 | 77% | 0.773 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 153.7 | -22.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P115 | P115-G117 PolarHBondContact O-N 3.46Š|
| 118 | F | 52 | Low | 55.2 | Low | 96 Ų | 96 | 103.6 Ų | 103.6 | 42% | 0.421 | 55% | 0.548 | S | S | . | . | trans | -99.4 | 22.8 | 179.7 | -132.6 | -101.9 | 0 | 0 | 0 | 114.6 | I114 P115 R120 | I114-F118 HydrophobicContact CG2-CB 4.06Å; P115-F118 PolarHBondContact O-N 3.07Å; F118-R120 VanDerWaalsContact CZ-NH2 3.33Å; F118-R120 PolarHBondContact O-N 3.02Å | ||
| 119 | R | 47.3 | Very low | 53.4 | Low | 223 Ų | 223 | 108.8 Ų | 108.8 | 84% | 0.842 | 59% | 0.586 | S | S | * | * | trans | -78.6 | 78.3 | 168.2 | -75 | -132.3 | -82.2 | -92.3 | -0.3 | 109.4 | A121 | R119-A121 PolarHBondContact O-N 3.37Š| ||
| 120 | R | 50 | Low | 51.5 | Low | 120 Ų | 120 | 108.6 Ų | 108.6 | 45% | 0.453 | 60% | 0.595 | S | S | . | * | trans | -69.9 | 117.4 | 171.4 | -68.3 | -178.1 | -167 | -103 | -1.9 | 108.8 | F118 | F118-R120 VanDerWaalsContact CZ-NH2 3.33Å; F118-R120 PolarHBondContact O-N 3.02Å | ||
| 121 | A | 42.3 | Very low | 49.5 | Very low | 61 Ų | 61 | 117.3 Ų | 117.3 | 50% | 0.504 | 64% | 0.636 | S | S | . | * | trans | -63.9 | 143.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | R119 S123 S124 | R119-A121 PolarHBondContact O-N 3.37Å; A121-S123 PolarHBondContact O-N 3.43Å; A121-S124 PolarHBondContact O-N 3.34Å; A121-S124 VanDerWaalsContact O-N 3.11Å | ||
| 122 | Y | 45.4 | Very low | 47.9 | Very low | 180 Ų | 180 | 118.5 Ų | 118.5 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -5.2 | -177.2 | -98.6 | -94.1 | 0 | 0 | 0 | 114.8 | R287 | Y122-R287 HydrophobicContact CE2-CG 4.33Å; Y122-R287 VanDerWaalsContact CE2-CZ 3.41Å; Y122-R287 VanDerWaalsContact CZ-NE 3.32Å; Y122-R287 VanDerWaalsContact CZ-NH2 3.29Å; Y122-R287 VanDerWaalsContact OH-CG 3.31Å; Y122-R287 WeakPolarHBondContact OH-CG 3.26Å; Y122-R287 PolarHBondContact OH-NE 2.97Å; Y122-R287 PolarHBondContact OH-NH2 3.03Å |
| 123 | S | 43.2 | Very low | 46.3 | Very low | 105 Ų | 105 | 123.5 Ų | 123.5 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 2.3 | 178.2 | 51.2 | 0 | 0 | 0 | 0 | 114.7 | A121 | A121-S123 PolarHBondContact O-N 3.43Š|
| 124 | S | 38.8 | Very low | 45.1 | Very low | 66 Ų | 66 | 121.5 Ų | 121.5 | 46% | 0.462 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -90 | 124.3 | 179.8 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | A121 | A121-S124 PolarHBondContact O-N 3.34Å; A121-S124 VanDerWaalsContact O-N 3.11Å |
| 125 | P | 42.1 | Very low | 44.4 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 74% | 0.74 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 141.6 | 177.1 | -20.3 | 31.2 | 0 | 0 | 0 | 111.4 | Y127 | P125-Y127 PolarHBondContact O-N 2.91Š|
| 126 | L | 37.5 | Very low | 44.3 | Very low | 161 Ų | 161 | 126.1 Ų | 126.1 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -62 | 122.5 | 176.7 | -70.3 | 167.4 | 0 | 0 | 0 | 108.9 | S128 | L126-S128 PolarHBondContact O-N 3.2Å; L126-S128 VanDerWaalsContact O-N 3.1Å |
| 127 | Y | 39.5 | Very low | 44.4 | Very low | 166 Ų | 166 | 125.6 Ų | 125.6 | 65% | 0.651 | 69% | 0.693 | S | S | * | * | trans | -65.1 | 109.9 | 166.5 | -119.5 | -100.6 | 0 | 0 | 0 | 106.8 | P125 S129 | P125-Y127 PolarHBondContact O-N 2.91Å; Y127-S129 PolarHBondContact O-N 3.38Å | ||
| 128 | S | 36.5 | Very low | 44.7 | Very low | 90 Ų | 90 | 128.8 Ų | 128.8 | 63% | 0.629 | 69% | 0.692 | S | S | * | * | trans | -64.6 | 123.4 | 161.7 | -66.6 | 0 | 0 | 0 | 0 | 107.3 | L126 D130 | L126-S128 PolarHBondContact O-N 3.2Å; L126-S128 VanDerWaalsContact O-N 3.1Å; S128-D130 PolarHBondContact O-N 3.09Å | ||
| 129 | S | 39.7 | Very low | 44.8 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 87% | 0.867 | 70% | 0.703 | S | S | * | * | trans | -77.9 | 62.6 | 172.2 | -56.9 | 0 | 0 | 0 | 0 | 109.8 | Y127 | Y127-S129 PolarHBondContact O-N 3.38Š| ||
| 130 | D | 40.5 | Very low | 45.2 | Very low | 139 Ų | 139 | 126.1 Ų | 126.1 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | trans | -90.5 | 115.3 | 163 | -74.6 | -50.1 | 0 | 0 | 0 | 107.3 | S128 | S128-D130 PolarHBondContact O-N 3.09Š| ||
| 131 | Q | 42.5 | Very low | 45.7 | Very low | 189 Ų | 189 | 124.1 Ų | 124.1 | 88% | 0.883 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -63 | 135.5 | 174 | -70.7 | -159.4 | -50.7 | 0 | 0 | 109.3 | ||
| 132 | P | 41.8 | Very low | 46.5 | Very low | 99 Ų | 99 | 123.3 Ų | 123.3 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 129.6 | -178.7 | 28.6 | -30.6 | 0 | 0 | 0 | 111.4 | ||
| 133 | D | 49.3 | Very low | 47.1 | Very low | 124 Ų | 124 | 118.9 Ų | 118.9 | 66% | 0.663 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 131.8 | 165.6 | -172.8 | -43.6 | 0 | 0 | 0 | 110.2 | N135 | D133-N135 VanDerWaalsContact C-N 3.28Å; D133-N135 PolarHBondContact O-N 3.42Å; D133-N135 PolarHBondContact OD1-N 3.42Å |
| 134 | P | 47.2 | Very low | 47.8 | Very low | 120 Ų | 120 | 120 Ų | 120 | 78% | 0.779 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -1.8 | -171.3 | 27 | -34.2 | 0 | 0 | 0 | 116.5 | ||
| 135 | N | 48 | Very low | 48.9 | Very low | 140 Ų | 140 | 119.8 Ų | 119.8 | 75% | 0.749 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 18.9 | -166 | -79.2 | -36.8 | 0 | 0 | 0 | 118 | D133 P137 | D133-N135 VanDerWaalsContact C-N 3.28Å; D133-N135 PolarHBondContact O-N 3.42Å; D133-N135 PolarHBondContact OD1-N 3.42Å; N135-P137 WeakPolarHBondContact O-CD 3.45Å |
| 136 | N | 52.5 | Low | 50 | Low | 115 Ų | 115 | 119 Ų | 119 | 62% | 0.615 | 64% | 0.644 | S | S | * | * | trans | -105 | 111 | 177.3 | -164.6 | -14.2 | 0 | 0 | 0 | 113.4 | N138 | N136-N138 VanDerWaalsContact C-N 3.31Å; N136-N138 PolarHBondContact O-N 3.16Å; N136-N138 PolarHBondContact OD1-N 3.04Å | ||
| 137 | P | 45.7 | Very low | 51.5 | Low | 131 Ų | 131 | 116.5 Ų | 116.5 | 85% | 0.851 | 63% | 0.631 | S | S | * | * | trans | -80.2 | -3.3 | -176.5 | 31.9 | -34.5 | 0 | 0 | 0 | 114.5 | N135 | N135-P137 WeakPolarHBondContact O-CD 3.45Š| ||
| 138 | N | 56.9 | Low | 53 | Low | 141 Ų | 141 | 113.9 Ų | 113.9 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | trans | -106.5 | 71 | -179 | -155.3 | 12.1 | 0 | 0 | 0 | 111.3 | N136 | N136-N138 VanDerWaalsContact C-N 3.31Å; N136-N138 PolarHBondContact O-N 3.16Å; N136-N138 PolarHBondContact OD1-N 3.04Å | ||
| 139 | R | 53.7 | Low | 54.6 | Low | 175 Ų | 175 | 113.3 Ų | 113.3 | 66% | 0.66 | 61% | 0.613 | S | S | * | * | trans | -108.4 | 113.1 | -178.2 | -131.8 | -172.5 | 169.4 | -151.8 | -4.4 | 110.6 | ||||
| 140 | N | 55.9 | Low | 56 | Low | 88 Ų | 88 | 109.3 Ų | 109.3 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | trans | -79.6 | 135.6 | 153.5 | -79.7 | -17 | 0 | 0 | 0 | 108.1 | D145 R148 | N140-D145 WeakPolarHBondContact CB-OD1 3.42Å; N140-R148 PolarHBondContact ND2-NH1 3.26Å; N140-R148 PolarHBondContact ND2-NH2 3.31Å | ||
| 141 | D | 60.5 | Low | 57.6 | Low | 79 Ų | 79 | 106.7 Ų | 106.7 | 42% | 0.422 | 58% | 0.58 | S | S | . | * | trans | -56.2 | 125.5 | -179.4 | 167.7 | 4.4 | 0 | 0 | 0 | 109.3 | V143 F144 D145 | D141-V143 PolarHBondContact O-N 3.47Å; D141-V143 VanDerWaalsContact O-N 3.11Å; D141-V143 VanDerWaalsContact OD1-CB 3.32Å; D141-V143 WeakPolarHBondContact OD1-CB 3.29Å; D141-V143 WeakPolarHBondContact OD1-CG2 3.46Å; D141-V143 PolarHBondContact OD1-N 3.34Å; D141-F144 HydrophobicContact CB-CB 4.03Å; D141-F144 HydrophobicContact CB-CD2 4.38Å; D141-F144 CarbonylContact O-C 3.51Å; D141-F144 VanDerWaalsContact O-CA 3.28Å; D141-F144 WeakPolarHBondContact O-CA 3.25Å; D141-F144 WeakPolarHBondContact O-CB 3.43Å; D141-F144 PolarHBondContact O-N 2.87Å; D141-D145 PolarHBondContact O-N 2.88Å | ||
| 142 | P | 60 | Low | 59 | Low | 44 Ų | 44 | 102.4 Ų | 102.4 | 29% | 0.286 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -58.2 | -26 | -178.7 | 21.4 | -32.1 | 0 | 0 | 0 | 112.6 | T146 | P142-T146 WeakPolarHBondContact O-CB 3.46Å; P142-T146 PolarHBondContact O-N 3.42Å; P142-T146 PolarHBondContact O-OG1 2.85Å |
| 143 | V | 58.6 | Low | 60 | Low | 86 Ų | 86 | 103.7 Ų | 103.7 | 52% | 0.521 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.1 | -44 | 170.3 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | D141 T146 L147 | D141-V143 PolarHBondContact O-N 3.47Å; D141-V143 VanDerWaalsContact O-N 3.11Å; D141-V143 VanDerWaalsContact OD1-CB 3.32Å; D141-V143 WeakPolarHBondContact OD1-CB 3.29Å; D141-V143 WeakPolarHBondContact OD1-CG2 3.46Å; D141-V143 PolarHBondContact OD1-N 3.34Å; V143-T146 PolarHBondContact O-N 2.77Å; V143-L147 HydrophobicContact CG1-CD1 3.96Å; V143-L147 HydrophobicContact CG1-CG 4.47Å; V143-L147 WeakPolarHBondContact O-CB 3.31Å; V143-L147 WeakPolarHBondContact O-CG 3.22Å; V143-L147 PolarHBondContact O-N 2.81Å |
| 144 | F | 57.3 | Low | 60.8 | Low | 129 Ų | 129 | 99.9 Ų | 99.9 | 57% | 0.566 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.7 | -40.5 | 175.9 | -110.1 | -89.8 | 0 | 0 | 0 | 113.4 | D141 L147 R148 | D141-F144 HydrophobicContact CB-CB 4.03Å; D141-F144 HydrophobicContact CB-CD2 4.38Å; D141-F144 CarbonylContact O-C 3.51Å; D141-F144 VanDerWaalsContact O-CA 3.28Å; D141-F144 WeakPolarHBondContact O-CA 3.25Å; D141-F144 WeakPolarHBondContact O-CB 3.43Å; D141-F144 PolarHBondContact O-N 2.87Å; F144-L147 PolarHBondContact O-N 3.26Å; F144-R148 VanDerWaalsContact O-CB 3.25Å; F144-R148 WeakPolarHBondContact O-CB 3.4Å; F144-R148 PolarHBondContact O-N 2.88Å |
| 145 | D | 61.8 | Low | 61.8 | Low | 61 Ų | 61 | 98 Ų | 98 | 33% | 0.326 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.8 | -40.1 | 176.7 | -78.7 | -20.5 | 0 | 0 | 0 | 111.2 | N140 D141 R148 V149 | N140-D145 WeakPolarHBondContact CB-OD1 3.42Å; D141-D145 PolarHBondContact O-N 2.88Å; D145-R148 PolarHBondContact O-N 3.39Å; D145-R148 IonicContact OD1-CZ 3.67Å; D145-R148 IonicContact OD1-NH1 2.92Å; D145-R148 PolarHBondContact OD1-NH1 2.87Å; D145-R148 IonicContact OD1-NH2 3.39Å; D145-V149 VanDerWaalsContact O-CG2 3.31Å; D145-V149 WeakPolarHBondContact O-CG2 3.49Å; D145-V149 PolarHBondContact O-N 2.88Å |
| 146 | T | 65.6 | Low | 62.8 | Low | 99 Ų | 99 | 98.9 Ų | 98.9 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.7 | -41.5 | 175.8 | -47.5 | 0 | 0 | 0 | 0 | 111.4 | P142 V143 V149 G150 | P142-T146 WeakPolarHBondContact O-CB 3.46Å; P142-T146 PolarHBondContact O-N 3.42Å; P142-T146 PolarHBondContact O-OG1 2.85Å; V143-T146 PolarHBondContact O-N 2.77Å; T146-V149 PolarHBondContact O-N 3.14Å; T146-G150 PolarHBondContact O-N 2.82Å |
| 147 | L | 67.6 | Low | 63.1 | Low | 107 Ų | 107 | 100.4 Ų | 100.4 | 56% | 0.56 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64 | -42.8 | 174.1 | -74.2 | 169.4 | 0 | 0 | 0 | 111.4 | V143 F144 V149 G150 V151 | V143-L147 HydrophobicContact CG1-CD1 3.96Å; V143-L147 HydrophobicContact CG1-CG 4.47Å; V143-L147 WeakPolarHBondContact O-CB 3.31Å; V143-L147 WeakPolarHBondContact O-CG 3.22Å; V143-L147 PolarHBondContact O-N 2.81Å; F144-L147 PolarHBondContact O-N 3.26Å; L147-V149 PolarHBondContact O-N 2.77Å; L147-G150 PolarHBondContact O-N 2.75Å; L147-V151 VanDerWaalsContact O-CG2 3.29Å; L147-V151 WeakPolarHBondContact O-CG2 3.35Å; L147-V151 PolarHBondContact O-N 2.96Å |
| 148 | R | 71.6 | Confident | 63.9 | Low | 111 Ų | 111 | 102.7 Ų | 102.7 | 42% | 0.419 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 177.3 | -171.3 | -171.7 | -63.4 | 137.2 | 3.1 | 111.3 | N140 F144 D145 G150 V151 I152 | N140-R148 PolarHBondContact ND2-NH1 3.26Å; N140-R148 PolarHBondContact ND2-NH2 3.31Å; F144-R148 VanDerWaalsContact O-CB 3.25Å; F144-R148 WeakPolarHBondContact O-CB 3.4Å; F144-R148 PolarHBondContact O-N 2.88Å; D145-R148 PolarHBondContact O-N 3.39Å; D145-R148 IonicContact OD1-CZ 3.67Å; D145-R148 IonicContact OD1-NH1 2.92Å; D145-R148 PolarHBondContact OD1-NH1 2.87Å; D145-R148 IonicContact OD1-NH2 3.39Å; R148-G150 VanDerWaalsContact C-N 3.35Å; R148-G150 PolarHBondContact O-N 2.87Å; R148-V151 PolarHBondContact O-N 3.04Å; R148-I152 HydrophobicContact CG-CD1 3.96Å; R148-I152 VanDerWaalsContact O-CG1 3.22Å; R148-I152 WeakPolarHBondContact O-CG1 3.46Å; R148-I152 PolarHBondContact O-N 2.96Å |
| 149 | V | 71.2 | Confident | 64.1 | Low | 79 Ų | 79 | 103.2 Ų | 103.2 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -43 | 176.7 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | D145 T146 L147 V151 I152 M153 | D145-V149 VanDerWaalsContact O-CG2 3.31Å; D145-V149 WeakPolarHBondContact O-CG2 3.49Å; D145-V149 PolarHBondContact O-N 2.88Å; T146-V149 PolarHBondContact O-N 3.14Å; L147-V149 PolarHBondContact O-N 2.77Å; V149-V151 PolarHBondContact O-N 3.48Å; V149-I152 PolarHBondContact O-N 2.97Å; V149-M153 HydrophobicContact CG1-CE 4.34Å; V149-M153 HydrophobicContact CG1-SD 4.39Å; V149-M153 WeakPolarHBondContact O-CG 3.5Å; V149-M153 PolarHBondContact O-N 3.12Å |
| 150 | G | 68.6 | Low | 64.6 | Low | 40 Ų | 40 | 101.8 Ų | 101.8 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T146 L147 R148 M153 A154 | T146-G150 PolarHBondContact O-N 2.82Å; L147-G150 PolarHBondContact O-N 2.75Å; R148-G150 VanDerWaalsContact C-N 3.35Å; R148-G150 PolarHBondContact O-N 2.87Å; G150-M153 PolarHBondContact O-N 3.1Å; G150-A154 WeakPolarHBondContact O-CB 3.33Å; G150-A154 PolarHBondContact O-N 3.28Å |
| 151 | V | 73.5 | Confident | 64.6 | Low | 83 Ų | 83 | 102.5 Ų | 102.5 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 176.4 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | L147 R148 V149 A154 N155 | L147-V151 VanDerWaalsContact O-CG2 3.29Å; L147-V151 WeakPolarHBondContact O-CG2 3.35Å; L147-V151 PolarHBondContact O-N 2.96Å; R148-V151 PolarHBondContact O-N 3.04Å; V149-V151 PolarHBondContact O-N 3.48Å; V151-A154 PolarHBondContact O-N 3.39Å; V151-N155 WeakPolarHBondContact O-CB 3.46Å; V151-N155 PolarHBondContact O-N 2.95Å; V151-N155 PolarHBondContact O-ND2 3.47Å |
| 152 | I | 72.6 | Confident | 64.7 | Low | 100 Ų | 100 | 104.3 Ų | 104.3 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 175.7 | -69.7 | 165.3 | 0 | 0 | 0 | 110.7 | R148 V149 N155 K156 | R148-I152 HydrophobicContact CG-CD1 3.96Å; R148-I152 VanDerWaalsContact O-CG1 3.22Å; R148-I152 WeakPolarHBondContact O-CG1 3.46Å; R148-I152 PolarHBondContact O-N 2.96Å; V149-I152 PolarHBondContact O-N 2.97Å; I152-N155 PolarHBondContact O-N 2.87Å; I152-K156 WeakPolarHBondContact O-CB 3.39Å; I152-K156 PolarHBondContact O-N 3.36Å |
| 153 | M | 63.2 | Low | 64.8 | Low | 126 Ų | 126 | 107.4 Ų | 107.4 | 62% | 0.621 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.2 | -45.5 | 177.9 | -74.9 | -173.3 | 165.1 | 0 | 0 | 112 | V149 G150 N155 K156 E157 | V149-M153 HydrophobicContact CG1-CE 4.34Å; V149-M153 HydrophobicContact CG1-SD 4.39Å; V149-M153 WeakPolarHBondContact O-CG 3.5Å; V149-M153 PolarHBondContact O-N 3.12Å; G150-M153 PolarHBondContact O-N 3.1Å; M153-N155 VanDerWaalsContact C-N 3.34Å; M153-N155 PolarHBondContact O-N 3.1Å; M153-K156 PolarHBondContact O-N 3.27Å; M153-E157 PolarHBondContact O-N 2.8Å |
| 154 | A | 65.2 | Low | 64.9 | Low | 44 Ų | 44 | 107.4 Ų | 107.4 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64 | -37.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G150 V151 E157 R158 | G150-A154 WeakPolarHBondContact O-CB 3.33Å; G150-A154 PolarHBondContact O-N 3.28Å; V151-A154 PolarHBondContact O-N 3.39Å; A154-E157 PolarHBondContact O-N 2.9Å; A154-R158 PolarHBondContact O-N 3.2Å |
| 155 | N | 67.7 | Low | 65.4 | Low | 80 Ų | 80 | 108.4 Ų | 108.4 | 43% | 0.428 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73.4 | -31.1 | 176.4 | -73.9 | -20.3 | 0 | 0 | 0 | 112.5 | V151 I152 M153 R158 K159 | V151-N155 WeakPolarHBondContact O-CB 3.46Å; V151-N155 PolarHBondContact O-N 2.95Å; V151-N155 PolarHBondContact O-ND2 3.47Å; I152-N155 PolarHBondContact O-N 2.87Å; M153-N155 VanDerWaalsContact C-N 3.34Å; M153-N155 PolarHBondContact O-N 3.1Å; N155-R158 PolarHBondContact O-N 3.42Å; N155-K159 PolarHBondContact O-N 3.06Å |
| 156 | K | 68.7 | Low | 65.6 | Low | 158 Ų | 158 | 112.4 Ų | 112.4 | 69% | 0.687 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.6 | -38 | 173.1 | -174.4 | 171 | 180 | 175.1 | 0 | 111.7 | I152 M153 K159 K160 | I152-K156 WeakPolarHBondContact O-CB 3.39Å; I152-K156 PolarHBondContact O-N 3.36Å; M153-K156 PolarHBondContact O-N 3.27Å; K156-K159 PolarHBondContact O-N 3.45Å; K156-K160 WeakPolarHBondContact O-CB 3.23Å; K156-K160 PolarHBondContact O-N 2.84Å |
| 157 | E | 59.8 | Low | 65.4 | Low | 147 Ų | 147 | 112.5 Ų | 112.5 | 69% | 0.687 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.4 | -39.9 | 174 | -75.4 | -176.3 | 162.5 | 0 | 0 | 112.4 | M153 A154 K160 N161 | M153-E157 PolarHBondContact O-N 2.8Å; A154-E157 PolarHBondContact O-N 2.9Å; E157-K160 PolarHBondContact O-N 2.82Å; E157-N161 PolarHBondContact O-N 3.23Å |
| 158 | R | 62.7 | Low | 64.8 | Low | 180 Ų | 180 | 114.2 Ų | 114.2 | 68% | 0.679 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.2 | -42.6 | 174.8 | -71 | -179 | -173.7 | 179.8 | 1.8 | 112.6 | A154 N155 N161 E162 | A154-R158 PolarHBondContact O-N 3.2Å; N155-R158 PolarHBondContact O-N 3.42Å; R158-N161 PolarHBondContact O-N 3.11Å; R158-E162 PolarHBondContact O-N 2.61Å |
| 159 | K | 60.3 | Low | 64.1 | Low | 152 Ų | 152 | 114.7 Ų | 114.7 | 66% | 0.661 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.4 | -35.1 | 175.8 | -81.3 | -172.3 | 172 | -176.2 | 0 | 113.1 | N155 K156 E162 N163 | N155-K159 PolarHBondContact O-N 3.06Å; K156-K159 PolarHBondContact O-N 3.45Å; K159-E162 PolarHBondContact O-N 3.49Å; K159-N163 PolarHBondContact O-N 3Å |
| 160 | K | 64.4 | Low | 63.4 | Low | 144 Ų | 144 | 117.1 Ų | 117.1 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.4 | -47 | 174 | -170.7 | 178.5 | 177.6 | -175.5 | 0 | 110.7 | K156 E157 E162 N163 D164 | K156-K160 WeakPolarHBondContact O-CB 3.23Å; K156-K160 PolarHBondContact O-N 2.84Å; E157-K160 PolarHBondContact O-N 2.82Å; K160-E162 VanDerWaalsContact C-N 3.29Å; K160-E162 PolarHBondContact O-N 2.91Å; K160-N163 PolarHBondContact O-N 3.27Å; K160-D164 WeakPolarHBondContact O-CB 3.42Å; K160-D164 PolarHBondContact O-N 3Å |
| 161 | N | 55.8 | Low | 62.8 | Low | 103 Ų | 103 | 121.1 Ų | 121.1 | 55% | 0.551 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.3 | -28.9 | 177.9 | -123.3 | 19.9 | 0 | 0 | 0 | 113.5 | E157 R158 K165 | E157-N161 PolarHBondContact O-N 3.23Å; R158-N161 PolarHBondContact O-N 3.11Å; N161-K165 WeakPolarHBondContact O-CG 3.34Å; N161-K165 PolarHBondContact O-N 3.3Å |
| 162 | E | 63.7 | Low | 62 | Low | 118 Ų | 118 | 123.3 Ų | 123.3 | 55% | 0.551 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -74.3 | -40.5 | 171.7 | -84.7 | -175.8 | 145.6 | 0 | 0 | 112.8 | R158 K159 K160 K165 K166 | R158-E162 PolarHBondContact O-N 2.61Å; K159-E162 PolarHBondContact O-N 3.49Å; K160-E162 VanDerWaalsContact C-N 3.29Å; K160-E162 PolarHBondContact O-N 2.91Å; E162-K165 PolarHBondContact O-N 3.04Å; E162-K166 WeakPolarHBondContact O-CG 3.42Å; E162-K166 PolarHBondContact O-N 3.29Å; E162-K166 VanDerWaalsContact O-N 3.09Å |
| 163 | N | 60.9 | Low | 61.2 | Low | 109 Ų | 109 | 124 Ų | 124 | 58% | 0.583 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.4 | -40.3 | 175.9 | -99.3 | 16.5 | 0 | 0 | 0 | 111.7 | K159 K160 K165 K166 N167 | K159-N163 PolarHBondContact O-N 3Å; K160-N163 PolarHBondContact O-N 3.27Å; N163-K165 VanDerWaalsContact C-N 3.27Å; N163-K165 PolarHBondContact O-N 3.02Å; N163-K166 PolarHBondContact O-N 2.79Å; N163-N167 WeakPolarHBondContact O-CB 3.39Å; N163-N167 PolarHBondContact O-N 2.79Å |
| 164 | D | 61.4 | Low | 60.8 | Low | 86 Ų | 86 | 124.9 Ų | 124.9 | 46% | 0.46 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.2 | -35.3 | 178.3 | -64.8 | -19.5 | 0 | 0 | 0 | 111.2 | K160 M168 | K160-D164 WeakPolarHBondContact O-CB 3.42Å; K160-D164 PolarHBondContact O-N 3Å; D164-M168 PolarHBondContact O-N 3.31Å |
| 165 | K | 66.6 | Low | 60.1 | Low | 150 Ų | 150 | 130.1 Ų | 130.1 | 65% | 0.652 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.1 | -39.1 | 174.2 | -74.9 | 176.7 | -177.5 | -177.8 | 0 | 113.4 | N161 E162 N163 M168 M169 | N161-K165 WeakPolarHBondContact O-CG 3.34Å; N161-K165 PolarHBondContact O-N 3.3Å; E162-K165 PolarHBondContact O-N 3.04Å; N163-K165 VanDerWaalsContact C-N 3.27Å; N163-K165 PolarHBondContact O-N 3.02Å; K165-M168 PolarHBondContact O-N 2.89Å; K165-M169 PolarHBondContact O-N 3.01Å |
| 166 | K | 66.4 | Low | 59.2 | Low | 144 Ų | 144 | 133.4 Ų | 133.4 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67 | -38.4 | 175.8 | -74.1 | 179.6 | 179.5 | 179.1 | 0 | 111.7 | E162 N163 M168 M169 M170 | E162-K166 WeakPolarHBondContact O-CG 3.42Å; E162-K166 PolarHBondContact O-N 3.29Å; E162-K166 VanDerWaalsContact O-N 3.09Å; N163-K166 PolarHBondContact O-N 2.79Å; K166-M168 VanDerWaalsContact C-N 3.34Å; K166-M169 PolarHBondContact O-N 3.05Å; K166-M170 PolarHBondContact O-N 2.87Å; K166-M170 VanDerWaalsContact O-N 3.11Å |
| 167 | N | 61.5 | Low | 58.3 | Low | 102 Ų | 102 | 134.1 Ų | 134.1 | 55% | 0.545 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67 | -35.1 | 177.6 | -137.1 | 61.8 | 0 | 0 | 0 | 112.3 | N163 M171 | N163-N167 WeakPolarHBondContact O-CB 3.39Å; N163-N167 PolarHBondContact O-N 2.79Å; N167-M171 PolarHBondContact O-N 3.42Å |
| 168 | M | 55.6 | Low | 57.4 | Low | 143 Ų | 143 | 135.9 Ų | 135.9 | 70% | 0.704 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68 | -37 | 174.2 | -165.7 | 96.3 | 148.1 | 0 | 0 | 112.5 | D164 K165 K166 M172 | D164-M168 PolarHBondContact O-N 3.31Å; K165-M168 PolarHBondContact O-N 2.89Å; K166-M168 VanDerWaalsContact C-N 3.34Å; M168-M172 PolarHBondContact O-N 3.4Å |
| 169 | M | 56.8 | Low | 56.5 | Low | 121 Ų | 121 | 134.2 Ų | 134.2 | 60% | 0.596 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -70.8 | -37.1 | 179.1 | -167.6 | 167.8 | -177.7 | 0 | 0 | 111.9 | K165 K166 M172 E173 | K165-M169 PolarHBondContact O-N 3.01Å; K166-M169 PolarHBondContact O-N 3.05Å; M169-M172 PolarHBondContact O-N 3.22Å; M169-E173 PolarHBondContact O-N 3.12Å; M169-E173 VanDerWaalsContact O-N 3.13Å |
| 170 | M | 56.3 | Low | 55.6 | Low | 130 Ų | 130 | 135 Ų | 135 | 64% | 0.64 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.9 | -37.5 | 176.8 | -131.9 | -176.5 | -168.2 | 0 | 0 | 112.9 | K166 M172 E174 | K166-M170 PolarHBondContact O-N 2.87Å; K166-M170 VanDerWaalsContact O-N 3.11Å; M170-M172 VanDerWaalsContact C-N 3.3Å; M170-M172 PolarHBondContact O-N 3.18Å; M170-E174 PolarHBondContact O-N 3.04Å; M170-E174 VanDerWaalsContact O-N 3.12Å |
| 171 | M | 56.1 | Low | 54.4 | Low | 123 Ų | 123 | 137.2 Ų | 137.2 | 61% | 0.606 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.5 | -29.7 | 174.8 | -78.2 | -169.5 | -170.3 | 0 | 0 | 113.1 | N167 E175 | N167-M171 PolarHBondContact O-N 3.42Å; M171-E175 PolarHBondContact O-N 2.76Å |
| 172 | M | 56.6 | Low | 53.5 | Low | 129 Ų | 129 | 138.1 Ų | 138.1 | 64% | 0.635 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -79.2 | -33.9 | -179.8 | -135.5 | 175.4 | -159.4 | 0 | 0 | 111.7 | M168 M169 M170 E176 | M168-M172 PolarHBondContact O-N 3.4Å; M169-M172 PolarHBondContact O-N 3.22Å; M170-M172 VanDerWaalsContact C-N 3.3Å; M170-M172 PolarHBondContact O-N 3.18Å; M172-E176 PolarHBondContact O-N 2.92Å |
| 173 | E | 55.8 | Low | 52.5 | Low | 114 Ų | 114 | 142.2 Ų | 142.2 | 53% | 0.533 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -71.4 | -33.4 | 172.5 | -80 | 175.6 | 159.2 | 0 | 0 | 112.1 | M169 E176 E177 | M169-E173 PolarHBondContact O-N 3.12Å; M169-E173 VanDerWaalsContact O-N 3.13Å; E173-E176 PolarHBondContact O-N 3.38Å; E173-E177 PolarHBondContact O-N 3.04Å |
| 174 | E | 54 | Low | 50.9 | Low | 145 Ų | 145 | 145.7 Ų | 145.7 | 68% | 0.678 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -69.1 | -35 | 172.1 | -92.1 | -179 | 155.7 | 0 | 0 | 112.9 | M170 | M170-E174 PolarHBondContact O-N 3.04Å; M170-E174 VanDerWaalsContact O-N 3.12Å |
| 175 | E | 51.8 | Low | 49.2 | Very low | 155 Ų | 155 | 148 Ų | 148 | 72% | 0.724 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -72.9 | -25.8 | 175.3 | -91.6 | -173.8 | 152.7 | 0 | 0 | 113.5 | M171 | M171-E175 PolarHBondContact O-N 2.76Å |
| 176 | E | 48.6 | Very low | 47.4 | Very low | 148 Ų | 148 | 149 Ų | 149 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -81.7 | -23.5 | 178.9 | -80.1 | -172.7 | 164 | 0 | 0 | 113.6 | M172 E173 | M172-E176 PolarHBondContact O-N 2.92Å; E173-E176 PolarHBondContact O-N 3.38Å |
| 177 | E | 48.2 | Very low | 45.5 | Very low | 174 Ų | 174 | 150.7 Ų | 150.7 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -82.2 | -20.4 | 177.1 | -75.6 | -166.1 | 156.3 | 0 | 0 | 113.9 | E173 | E173-E177 PolarHBondContact O-N 3.04Å |
| 178 | E | 42.7 | Very low | 43.7 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -85 | -8 | -178.6 | -125.1 | -175.2 | 173.3 | 0 | 0 | 114.3 | ||
| 179 | N | 42.4 | Very low | 42.3 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | -110.2 | 46.6 | -172.7 | -157.4 | 18 | 0 | 0 | 0 | 114.4 | ||||
| 180 | Q | 42.6 | Very low | 40.9 | Very low | 169 Ų | 169 | 151.2 Ų | 151.2 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -134.6 | 92.9 | 167.2 | -68.8 | -177.5 | 27.7 | 0 | 0 | 111.7 | ||||
| 181 | Q | 37.6 | Very low | 39.5 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | 171.7 | 159.5 | 129.8 | -96.9 | -172.1 | 0.3 | 0 | 0 | 113.5 | |||||
| 182 | P | 37.6 | Very low | 38.2 | Very low | 121 Ų | 121 | 152.5 Ų | 152.5 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -105.1 | 165 | -136.8 | 24.8 | -6.1 | 0 | 0 | 0 | 115.4 | ||||
| 183 | K | 42.1 | Very low | 37.7 | Very low | 204 Ų | 204 | 150.6 Ų | 150.6 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -78.8 | 138 | 176.5 | -66.5 | -178.7 | 174.8 | -179.3 | 0 | 112.4 | ||||
| 184 | E | 27.1 | Very low | 36.4 | Very low | 182 Ų | 182 | 153 Ų | 153 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -141.3 | 122.5 | 146.1 | -74 | -166.9 | 160.7 | 0 | 0 | 112.1 | ||||
| 185 | N | 27.4 | Very low | 35.3 | Very low | 136 Ų | 136 | 150.7 Ų | 150.7 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 52 | 118.8 | 137.1 | -60.8 | -8.4 | 0 | 0 | 0 | 124.1 | ||||
| 186 | E | 27.7 | Very low | 34.4 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | 76.1 | 139.5 | 121.4 | -66.1 | -162.7 | 151.3 | 0 | 0 | 123.7 | |||||
| 187 | E | 26.1 | Very low | 33.4 | Very low | 181 Ų | 181 | 151.1 Ų | 151.1 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 70.9 | 113.4 | 154.1 | -75.4 | -172.6 | 147.6 | 0 | 0 | 121.7 | ||||
| 188 | G | 25 | Very low | 32.5 | Very low | 85 Ų | 85 | 148.6 Ų | 148.6 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | 82 | 132.3 | 113.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 189 | G | 26.7 | Very low | 31.8 | Very low | 83 Ų | 83 | 148.4 Ų | 148.4 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | trans | 140.9 | 119.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 190 | E | 26.3 | Very low | 31 | Very low | 208 Ų | 208 | 145.4 Ų | 145.4 | 97% | 0.972 | 78% | 0.779 | S | S | * | * | trans | -64.7 | 159 | 177.1 | -60.8 | 167 | 121.5 | 0 | 0 | 114.2 | ||||
| 191 | G | 28 | Very low | 30.3 | Very low | 80 Ų | 80 | 140.9 Ų | 140.9 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | 165.8 | 93 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 192 | K | 27.7 | Very low | 30 | Very low | 200 Ų | 200 | 139.4 Ų | 139.4 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | trans | -91.4 | 178 | 153.5 | -128.8 | -165.6 | 171.5 | 179.4 | 0 | 107.4 | ||||
| 193 | P | 46.7 | Very low | 29.7 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 58% | 0.578 | 78% | 0.781 | S | S | * | * | cis | -134.9 | -161.1 | -19.4 | 22.6 | 3.9 | 0 | 0 | 0 | 111.7 | ||||
| 194 | E | 28.3 | Very low | 29.4 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | 93.3 | 135.1 | 153.8 | -55.3 | -172.5 | 171.4 | 0 | 0 | 116 | ||||
| 195 | D | 30.7 | Very low | 29.6 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 52% | 0.524 | 77% | 0.767 | S | S | . | * | cis | -166.2 | 157.5 | 13.5 | -132.1 | -25.7 | 0 | 0 | 0 | 112.9 | ||||
| 196 | K | 32.8 | Very low | 30 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 65% | 0.652 | 77% | 0.766 | S | S | * | * | trans | 64.2 | 111.1 | 142.7 | -81.6 | 154.8 | -164 | 155 | 0 | 120.4 | ||||
| 197 | K | 28.5 | Very low | 30.6 | Very low | 161 Ų | 161 | 135 Ų | 135 | 70% | 0.7 | 76% | 0.761 | S | S | * | * | 86.1 | 143.9 | 84.9 | -93 | -163.1 | 168.2 | -147 | 0 | 110 | |||||
| 198 | E | 27.6 | Very low | 31.2 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 57% | 0.565 | 76% | 0.762 | S | S | * | * | cis | -177.2 | 144.6 | 6.4 | -120.7 | 170.7 | -169.4 | 0 | 0 | 101.9 | ||||
| 199 | K | 29.1 | Very low | 32 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 79% | 0.787 | 75% | 0.753 | S | S | * | * | 168.1 | 135.8 | 69.3 | -112.3 | 159.8 | -177.8 | -178.5 | 0 | 103.2 | |||||
| 200 | G | 25.3 | Very low | 32.5 | Very low | 80 Ų | 80 | 134.5 Ų | 134.5 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | 74.3 | 121.9 | 72.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 201 | G | 27.7 | Very low | 33.1 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | cis | 178.1 | -177.6 | 9.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 202 | D | 32 | Very low | 33.9 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 85% | 0.85 | 72% | 0.72 | S | S | * | * | trans | -28 | 142.9 | 174.8 | -77 | -86.2 | 0 | 0 | 0 | 118.7 | ||||
| 203 | K | 31.2 | Very low | 34.9 | Very low | 205 Ų | 205 | 125.7 Ų | 125.7 | 89% | 0.891 | 70% | 0.703 | S | S | * | * | -161.2 | 137.3 | 117.7 | -105.8 | 167.3 | -173.7 | 178.3 | 0 | 111.8 | |||||
| 204 | A | 34.9 | Very low | 35.4 | Very low | 76 Ų | 76 | 125.2 Ų | 125.2 | 63% | 0.628 | 71% | 0.714 | S | S | * | * | trans | -55.9 | 149.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 205 | D | 32.6 | Very low | 37.7 | Very low | 151 Ų | 151 | 120.3 Ų | 120.3 | 81% | 0.807 | 70% | 0.698 | S | S | * | * | 168.3 | 146.6 | 114.9 | -81.7 | -41.5 | 0 | 0 | 0 | 111.9 | |||||
| 206 | D | 36 | Very low | 40.4 | Very low | 131 Ų | 131 | 116.6 Ų | 116.6 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | trans | 73.9 | 91.9 | 153.5 | -84.7 | -58.1 | 0 | 0 | 0 | 121.3 | ||||
| 207 | K | 40.3 | Very low | 43.2 | Very low | 158 Ų | 158 | 110.9 Ų | 110.9 | 69% | 0.687 | 65% | 0.652 | S | S | * | * | 60.3 | 73.5 | 107.1 | -150.4 | -177.9 | -153.7 | 161.2 | 0 | 114.7 | K209 | K207-K209 HydrophobicContact CD-CG 4.47Å; K207-K209 HydrophobicContact CG-CG 4.21Å; K207-K209 PolarHBondContact O-N 3.2Å | |||
| 208 | A | 38.2 | Very low | 46.3 | Very low | 106 Ų | 106 | 104 Ų | 104 | 88% | 0.876 | 62% | 0.622 | S | S | * | * | trans | -64.5 | 83.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 109 | G210 | A208-G210 PolarHBondContact O-N 2.89Š| ||
| 209 | K | 40.7 | Very low | 49.4 | Very low | 156 Ų | 156 | 98.3 Ų | 98.3 | 68% | 0.678 | 60% | 0.595 | S | S | * | * | trans | -55.9 | 105.6 | 162 | -82.7 | 177.6 | 175.4 | 173.1 | 0 | 107.2 | K207 T211 | K207-K209 HydrophobicContact CD-CG 4.47Å; K207-K209 HydrophobicContact CG-CG 4.21Å; K207-K209 PolarHBondContact O-N 3.2Å; K209-T211 VanDerWaalsContact C-N 3.27Å; K209-T211 PolarHBondContact O-N 3.24Å | ||
| 210 | G | 39 | Very low | 52.5 | Low | 76 Ų | 76 | 89.7 Ų | 89.7 | 78% | 0.784 | 56% | 0.557 | S | S | * | * | trans | -53.6 | 97.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | A208 F212 | A208-G210 PolarHBondContact O-N 2.89Å; G210-F212 VanDerWaalsContact C-N 3.3Å; G210-F212 PolarHBondContact O-N 3.03Å | ||
| 211 | T | 38.6 | Very low | 55.6 | Low | 121 Ų | 121 | 86.4 Ų | 86.4 | 74% | 0.742 | 52% | 0.521 | S | S | * | . | trans | -70.9 | 91 | 178.3 | 26.2 | 0 | 0 | 0 | 0 | 107.1 | K209 T213 | K209-T211 VanDerWaalsContact C-N 3.27Å; K209-T211 PolarHBondContact O-N 3.24Å; T211-T213 PolarHBondContact O-N 3.02Å | ||
| 212 | F | 44.3 | Very low | 58.6 | Low | 99 Ų | 99 | 86.2 Ų | 86.2 | 43% | 0.434 | 50% | 0.497 | S | S | . | . | trans | -66.6 | 90.5 | 168.6 | -153.1 | -107 | 0 | 0 | 0 | 107.7 | G210 G214 H216 Y218 | G210-F212 VanDerWaalsContact C-N 3.3Å; G210-F212 PolarHBondContact O-N 3.03Å; F212-G214 PolarHBondContact O-N 3.13Å; F212-G214 VanDerWaalsContact O-N 3.12Å; F212-H216 AromaticContact CD2-NE2 3.7Å; F212-H216 WeakPolarHBondContact CE1-O 3.28Å; F212-H216 AromaticContact CE2-CD2 3.4Å; F212-H216 VanDerWaalsContact CE2-CD2 3.4Å; F212-H216 WeakPolarHBondContact CE2-CD2 3.45Å; F212-H216 AromaticContact CE2-CE1 3.97Å; F212-H216 AromaticContact CE2-NE2 3.08Å; F212-H216 WeakPolarHBondContact CE2-NE2 3.14Å; F212-H216 AromaticContact CZ-CD2 3.24Å; F212-H216 WeakPolarHBondContact CZ-CD2 3.47Å; F212-H216 AromaticContact CZ-NE2 3.46Å; F212-H216 WeakPolarHBondContact CZ-NE2 3.12Å; F212-Y218 HydrophobicContact CE2-CD2 4.13Å; F212-Y218 AromaticContact CE2-CE2 3.38Å; F212-Y218 HydrophobicContact CE2-CE2 3.38Å; F212-Y218 AromaticContact CZ-CD2 3.8Å; F212-Y218 HydrophobicContact CZ-CD2 3.8Å; F212-Y218 AromaticContact CZ-CE2 3.51Å; F212-Y218 HydrophobicContact CZ-CE2 3.51Å | ||
| 213 | T | 48.7 | Very low | 61.4 | Low | 82 Ų | 82 | 83.8 Ų | 83.8 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | trans | -54 | 122.1 | 168.7 | 59.7 | 0 | 0 | 0 | 0 | 106.5 | T211 S215 H216 | T211-T213 PolarHBondContact O-N 3.02Å; T213-S215 PolarHBondContact O-N 3.46Å; T213-S215 PolarHBondContact O-OG 3.15Å; T213-S215 PolarHBondContact OG1-OG 3.16Å; T213-H216 PolarHBondContact O-ND1 3.48Å | ||
| 214 | G | 56.7 | Low | 64.3 | Low | 79 Ų | 79 | 74.9 Ų | 74.9 | 81% | 0.814 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 21.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F212 | F212-G214 PolarHBondContact O-N 3.13Å; F212-G214 VanDerWaalsContact O-N 3.12Å |
| 215 | S | 76.7 | Confident | 67 | Low | 61 Ų | 61 | 78.4 Ų | 78.4 | 43% | 0.427 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -17 | 178.6 | 64.5 | 0 | 0 | 0 | 0 | 113.3 | T213 R271 A272 | T213-S215 PolarHBondContact O-N 3.46Å; T213-S215 PolarHBondContact O-OG 3.15Å; T213-S215 PolarHBondContact OG1-OG 3.16Å; S215-R271 WeakPolarHBondContact O-CA 3.22Å; S215-A272 PolarHBondContact O-N 3.24Å |
| 216 | H | 88.1 | Confident | 69.8 | Low | 20 Ų | 20 | 73 Ų | 73 | 9% | 0.093 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 161.2 | -176.7 | 58.7 | -80.5 | 0 | 0 | 0 | 112.4 | F212 T213 K269 V270 | F212-H216 AromaticContact CD2-NE2 3.7Å; F212-H216 WeakPolarHBondContact CE1-O 3.28Å; F212-H216 AromaticContact CE2-CD2 3.4Å; F212-H216 VanDerWaalsContact CE2-CD2 3.4Å; F212-H216 WeakPolarHBondContact CE2-CD2 3.45Å; F212-H216 AromaticContact CE2-CE1 3.97Å; F212-H216 AromaticContact CE2-NE2 3.08Å; F212-H216 WeakPolarHBondContact CE2-NE2 3.14Å; F212-H216 AromaticContact CZ-CD2 3.24Å; F212-H216 WeakPolarHBondContact CZ-CD2 3.47Å; F212-H216 AromaticContact CZ-NE2 3.46Å; F212-H216 WeakPolarHBondContact CZ-NE2 3.12Å; T213-H216 PolarHBondContact O-ND1 3.48Å; H216-K269 HydrophobicContact CB-CG 4.19Å; H216-K269 WeakPolarHBondContact CD2-CE 3.48Å; H216-K269 PolarHBondContact CD2-NZ 3.46Å; H216-K269 PolarHBondContact CE1-NZ 3.39Å; H216-K269 VanDerWaalsContact CG-CE 3.47Å; H216-K269 WeakPolarHBondContact NE2-CE 3.36Å; H216-K269 PolarHBondContact NE2-NZ 2.92Å; H216-V270 CarbonylContact C-O 3.51Å; H216-V270 WeakPolarHBondContact CA-O 3.43Å; H216-V270 VanDerWaalsContact CB-O 3.31Å; H216-V270 WeakPolarHBondContact CB-O 3.48Å |
| 217 | Y | 91.1 | Very high | 72.3 | Confident | 31 Ų | 31 | 74 Ų | 74 | 12% | 0.122 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 164.1 | 173.2 | 61.3 | -82 | 0 | 0 | 0 | 109.3 | L219 R239 V270 F332 | Y217-L219 HydrophobicContact CD2-CD2 3.84Å; Y217-L219 HydrophobicContact CD2-CG 3.9Å; Y217-L219 HydrophobicContact CE2-CD1 3.82Å; Y217-L219 HydrophobicContact CE2-CD2 3.69Å; Y217-L219 HydrophobicContact CE2-CG 3.6Å; Y217-R239 HydrophobicContact CD2-CG 4.26Å; Y217-V270 HydrophobicContact CD1-CB 4.35Å; Y217-V270 HydrophobicContact CD2-CB 4.33Å; Y217-V270 HydrophobicContact CE1-CB 3.96Å; Y217-V270 HydrophobicContact CE1-CG1 3.81Å; Y217-V270 HydrophobicContact CE2-CB 3.96Å; Y217-V270 HydrophobicContact CE2-CG1 4.21Å; Y217-V270 HydrophobicContact CE2-CG2 4.37Å; Y217-V270 PolarHBondContact N-O 3.39Å; Y217-V270 PolarHBondContact O-N 2.75Å; Y217-V270 WeakPolarHBondContact OH-CG1 3.49Å; Y217-F332 HydrophobicContact CE2-CD2 4.11Å; Y217-F332 AromaticContact CE2-CE2 3.78Å; Y217-F332 HydrophobicContact CE2-CE2 3.78Å; Y217-F332 HydrophobicContact CE2-CZ 4.39Å |
| 218 | Y | 93.1 | Very high | 74.7 | Confident | 17 Ų | 17 | 72.8 Ų | 72.8 | 7% | 0.067 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 139.7 | 178.4 | -63.3 | -83.2 | 0 | 0 | 0 | 111.6 | F212 R239 I240 V242 W251 L267 I268 K269 | F212-Y218 HydrophobicContact CE2-CD2 4.13Å; F212-Y218 AromaticContact CE2-CE2 3.38Å; F212-Y218 HydrophobicContact CE2-CE2 3.38Å; F212-Y218 AromaticContact CZ-CD2 3.8Å; F212-Y218 HydrophobicContact CZ-CD2 3.8Å; F212-Y218 AromaticContact CZ-CE2 3.51Å; F212-Y218 HydrophobicContact CZ-CE2 3.51Å; Y218-R239 WeakPolarHBondContact O-CA 3.22Å; Y218-I240 PolarHBondContact O-N 3.36Å; Y218-V242 HydrophobicContact CD2-CB 3.99Å; Y218-V242 HydrophobicContact CD2-CG2 3.3Å; Y218-V242 HydrophobicContact CE2-CB 3.9Å; Y218-V242 HydrophobicContact CE2-CG2 3.54Å; Y218-V242 HydrophobicContact CG-CG2 3.85Å; Y218-W251 HydrophobicContact CD1-CZ3 4.39Å; Y218-W251 HydrophobicContact CE1-CH2 4.4Å; Y218-W251 AromaticContact CE1-CZ3 3.95Å; Y218-W251 HydrophobicContact CE1-CZ3 3.95Å; Y218-L267 HydrophobicContact CD1-CB 4.33Å; Y218-L267 HydrophobicContact CG-CD1 4.34Å; Y218-I268 WeakPolarHBondContact CA-O 3.32Å; Y218-K269 HydrophobicContact CD1-CB 4.02Å; Y218-K269 HydrophobicContact CE1-CB 3.66Å; Y218-K269 HydrophobicContact CE1-CD 4.22Å; Y218-K269 HydrophobicContact CE1-CG 3.96Å |
| 219 | L | 93.8 | Very high | 77.1 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 143.7 | 174.3 | -65.6 | -175.5 | 0 | 0 | 0 | 111.5 | Y217 L221 D238 R239 L267 I268 V270 V276 F332 | Y217-L219 HydrophobicContact CD2-CD2 3.84Å; Y217-L219 HydrophobicContact CD2-CG 3.9Å; Y217-L219 HydrophobicContact CE2-CD1 3.82Å; Y217-L219 HydrophobicContact CE2-CD2 3.69Å; Y217-L219 HydrophobicContact CE2-CG 3.6Å; L219-L221 PolarHBondContact O-N 3.09Å; L219-D238 CarbonylContact C-O 3.47Å; L219-D238 WeakPolarHBondContact CA-O 3.28Å; L219-R239 HydrophobicContact CD2-CB 3.88Å; L219-R239 HydrophobicContact CD2-CG 4.29Å; L219-L267 CarbonylContact O-C 3.48Å; L219-L267 VanDerWaalsContact O-CA 3.25Å; L219-L267 WeakPolarHBondContact O-CA 3.29Å; L219-I268 HydrophobicContact CB-CG2 4.01Å; L219-I268 PolarHBondContact N-O 2.92Å; L219-I268 PolarHBondContact O-N 3.3Å; L219-V270 HydrophobicContact CD1-CG2 4.06Å; L219-V270 HydrophobicContact CG-CG2 4.14Å; L219-V276 HydrophobicContact CD1-CB 4.01Å; L219-V276 HydrophobicContact CD1-CG1 3.56Å; L219-V276 HydrophobicContact CD1-CG2 3.68Å; L219-F332 HydrophobicContact CD1-CE2 3.89Å; L219-F332 HydrophobicContact CD1-CZ 3.57Å; L219-F332 HydrophobicContact CD2-CE1 3.74Å; L219-F332 HydrophobicContact CD2-CE2 4.02Å; L219-F332 HydrophobicContact CD2-CZ 3.32Å; L219-F332 HydrophobicContact CG-CZ 4.08Å |
| 220 | A | 93.8 | Very high | 79.5 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 125.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F234 H235 P236 G237 D238 I240 L267 | A220-F234 HydrophobicContact CB-CD2 3.4Å; A220-F234 HydrophobicContact CB-CE2 3.68Å; A220-F234 HydrophobicContact CB-CG 4.33Å; A220-H235 VanDerWaalsContact CB-O 3.22Å; A220-H235 WeakPolarHBondContact CB-O 3.3Å; A220-P236 CarbonylContact O-C 3.48Å; A220-P236 WeakPolarHBondContact O-CA 3.34Å; A220-G237 PolarHBondContact O-N 2.98Å; A220-D238 HydrophobicContact CB-CB 4.46Å; A220-D238 PolarHBondContact N-O 2.92Å; A220-I240 HydrophobicContact CB-CD1 4.11Å; A220-L267 HydrophobicContact CB-CD2 4.15Å |
| 221 | L | 90.9 | Very high | 82.1 | Confident | 12 Ų | 12 | 72.7 Ų | 72.7 | 6% | 0.063 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -85.5 | -29.8 | 173 | -69.7 | 177.2 | 0 | 0 | 0 | 112.6 | L219 Y266 I268 I299 | L219-L221 PolarHBondContact O-N 3.09Å; L221-Y266 WeakPolarHBondContact CB-O 3.39Å; L221-Y266 PolarHBondContact N-O 3.38Å; L221-I268 HydrophobicContact CD1-CB 4.01Å; L221-I268 HydrophobicContact CD2-CB 3.84Å; L221-I268 HydrophobicContact CD2-CD1 4.26Å; L221-I268 HydrophobicContact CD2-CG2 3.58Å; L221-I268 HydrophobicContact CG-CB 3.87Å; L221-I268 HydrophobicContact CG-CG2 3.94Å; L221-I299 HydrophobicContact CD2-CB 4.19Å |
| 222 | Y | 89.2 | Confident | 84.7 | Confident | 70 Ų | 70 | 67.1 Ų | 67.1 | 28% | 0.275 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -133.3 | 157.8 | -173.8 | -52.6 | -62.4 | 0 | 0 | 0 | 110.4 | F224 F234 Y266 | Y222-F224 PolarHBondContact O-N 3.32Å; Y222-F234 WeakPolarHBondContact O-CE2 3.49Å; Y222-Y266 HydrophobicContact CD2-CD1 4.33Å; Y222-Y266 HydrophobicContact CD2-CD2 4.46Å; Y222-Y266 HydrophobicContact CD2-CG 4.27Å |
| 223 | R | 90.9 | Very high | 87 | Confident | 108 Ų | 108 | 64.6 Ų | 64.6 | 41% | 0.408 | 34% | 0.336 | S | S | . | . | trans | -70.6 | 127.9 | 169.7 | 177 | 143.2 | -177 | 60.4 | -0.8 | 108.9 | D233 F234 H235 P236 | R223-D233 IonicContact CZ-OD1 3.04Å; R223-D233 IonicContact CZ-OD2 3.97Å; R223-D233 IonicContact NH1-OD1 2.69Å; R223-D233 PolarHBondContact NH1-OD1 2.89Å; R223-D233 IonicContact NH1-OD2 3.09Å; R223-D233 PolarHBondContact NH1-OD2 2.76Å; R223-D233 IonicContact NH2-OD1 2.96Å; R223-D233 PolarHBondContact NH2-OD1 2.79Å; R223-D233 IonicContact NH2-OD2 3.94Å; R223-D233 PolarHBondContact NH2-OD2 2.91Å; R223-D233 VanDerWaalsContact NH2-OD2 3.16Å; R223-F234 WeakPolarHBondContact CA-O 3.29Å; R223-F234 PolarHBondContact NH1-O 3.09Å; R223-H235 PolarHBondContact NE-NE2 3.27Å; R223-H235 PolarHBondContact NH1-CE1 2.82Å; R223-H235 PolarHBondContact NH1-ND1 2.69Å; R223-H235 PolarHBondContact NH1-NE2 3.38Å; R223-H235 VanDerWaalsContact NH1-NE2 3.15Å; R223-P236 HydrophobicContact CB-CG 4.45Å | ||
| 224 | F | 92.5 | Very high | 89.2 | Confident | 18 Ų | 18 | 60.7 Ų | 60.7 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -115.9 | 119.5 | 167.4 | -176.3 | -122.1 | 0 | 0 | 0 | 107.8 | Y222 D231 L232 D233 F234 W250 Y261 F262 P263 Y266 | Y222-F224 PolarHBondContact O-N 3.32Å; F224-D231 HydrophobicContact CE1-CB 4.02Å; F224-D231 HydrophobicContact CZ-CB 4.32Å; F224-L232 WeakPolarHBondContact CD1-O 3.2Å; F224-D233 WeakPolarHBondContact O-CA 3.36Å; F224-F234 HydrophobicContact CB-CD1 4.22Å; F224-F234 HydrophobicContact CB-CD2 3.97Å; F224-F234 HydrophobicContact CB-CE1 3.84Å; F224-F234 HydrophobicContact CB-CE2 3.55Å; F224-F234 HydrophobicContact CB-CG 4.29Å; F224-F234 HydrophobicContact CB-CZ 3.48Å; F224-F234 VanDerWaalsContact CB-CZ 3.48Å; F224-F234 HydrophobicContact CD1-CD1 4.35Å; F224-F234 AromaticContact CD1-CE1 3.79Å; F224-F234 HydrophobicContact CD1-CE1 3.79Å; F224-F234 HydrophobicContact CD1-CZ 4.12Å; F224-F234 HydrophobicContact CG-CE1 4.24Å; F224-F234 HydrophobicContact CG-CZ 4.13Å; F224-F234 PolarHBondContact N-O 2.96Å; F224-F234 PolarHBondContact O-N 3.07Å; F224-W250 HydrophobicContact CZ-CH2 4.17Å; F224-W250 AromaticContact CZ-CZ3 3.95Å; F224-W250 HydrophobicContact CZ-CZ3 3.95Å; F224-Y261 WeakPolarHBondContact CE1-O 3.41Å; F224-F262 HydrophobicContact CD1-CB 3.75Å; F224-F262 HydrophobicContact CE1-CB 3.84Å; F224-P263 HydrophobicContact CE2-CG 4.25Å; F224-Y266 HydrophobicContact CB-CD1 3.88Å; F224-Y266 HydrophobicContact CB-CE1 4.07Å; F224-Y266 HydrophobicContact CD2-CE1 4.21Å |
| 225 | K | 91.7 | Very high | 90.9 | Very high | 151 Ų | 151 | 61.3 Ų | 61.3 | 66% | 0.657 | 29% | 0.294 | S | S | * | . | trans | -98.3 | 121 | 178.1 | -173.8 | -177.8 | 178.7 | -175.5 | 0 | 107.6 | I227 D233 | K225-I227 PolarHBondContact O-N 3.15Å; K225-D233 VanDerWaalsContact CA-OD2 3.32Å; K225-D233 WeakPolarHBondContact CA-OD2 3.38Å | ||
| 226 | A | 90.9 | Very high | 91.6 | Very high | 37 Ų | 37 | 60.2 Ų | 60.2 | 31% | 0.306 | 29% | 0.285 | S | S | . | . | trans | -56.6 | 128.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | D231 D233 | A226-D231 HydrophobicContact CB-CB 3.66Å; A226-D233 HydrophobicContact CB-CB 3.99Å | ||
| 227 | I | 89.1 | Confident | 91.7 | Very high | 151 Ų | 151 | 59.8 Ų | 59.8 | 77% | 0.774 | 29% | 0.286 | S | S | * | . | trans | -103.9 | -46.8 | 176.3 | -59.4 | 177 | 0 | 0 | 0 | 108.4 | K225 D231 | K225-I227 PolarHBondContact O-N 3.15Å; I227-D231 PolarHBondContact N-OD2 3.11Å | ||
| 228 | E | 90.6 | Very high | 91.8 | Very high | 134 Ų | 134 | 60.5 Ų | 60.5 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -92.4 | 164 | 175.9 | -59.9 | -171 | 177.4 | 0 | 0 | 111.6 | D230 D231 | E228-D230 PolarHBondContact O-N 3.43Å; E228-D231 PolarHBondContact N-OD2 2.87Å; E228-D231 PolarHBondContact O-N 2.76Å |
| 229 | K | 88.2 | Confident | 91.8 | Very high | 212 Ų | 212 | 66.2 Ų | 66.2 | 92% | 0.922 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -26.5 | 179 | -66 | -178.8 | -177.9 | 178.3 | 0 | 112.5 | ||
| 230 | D | 91.8 | Very high | 91.8 | Very high | 105 Ų | 105 | 66.3 Ų | 66.3 | 56% | 0.561 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 2.2 | -178.6 | -59.7 | -36.4 | 0 | 0 | 0 | 112.5 | E228 G260 Y261 | E228-D230 PolarHBondContact O-N 3.43Å; D230-G260 CarbonylContact O-C 3.59Å; D230-G260 WeakPolarHBondContact O-CA 3.31Å; D230-Y261 HydrophobicContact CB-CD2 4.18Å; D230-Y261 HydrophobicContact CB-CE2 4.5Å; D230-Y261 PolarHBondContact O-N 3.32Å |
| 231 | D | 93.2 | Very high | 91.8 | Very high | 19 Ų | 19 | 71.2 Ų | 71.2 | 10% | 0.102 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 145.5 | 175.3 | -75.2 | -24 | 0 | 0 | 0 | 111.8 | F224 A226 I227 E228 | F224-D231 HydrophobicContact CE1-CB 4.02Å; F224-D231 HydrophobicContact CZ-CB 4.32Å; A226-D231 HydrophobicContact CB-CB 3.66Å; I227-D231 PolarHBondContact N-OD2 3.11Å; E228-D231 PolarHBondContact N-OD2 2.87Å; E228-D231 PolarHBondContact O-N 2.76Å |
| 232 | L | 93.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | trans | -94.2 | 109.5 | 176 | -172.1 | 68 | 0 | 0 | 0 | 111.6 | F224 F234 I240 M255 K258 Y261 F262 | F224-L232 WeakPolarHBondContact CD1-O 3.2Å; L232-F234 HydrophobicContact CB-CD1 4.43Å; L232-F234 HydrophobicContact CD2-CD1 4.23Å; L232-F234 HydrophobicContact CG-CD1 4.16Å; L232-F234 WeakPolarHBondContact O-CD1 3.47Å; L232-I240 HydrophobicContact CD2-CG2 4.25Å; L232-M255 HydrophobicContact CD1-CB 4.42Å; L232-M255 HydrophobicContact CD2-CB 4.4Å; L232-K258 HydrophobicContact CD1-CB 3.78Å; L232-Y261 PolarHBondContact N-O 2.96Å; L232-F262 HydrophobicContact CB-CD1 4.08Å; L232-F262 HydrophobicContact CD2-CD1 3.83Å; L232-F262 HydrophobicContact CD2-CE1 3.88Å | ||
| 233 | D | 93.4 | Very high | 92.1 | Very high | 47 Ų | 47 | 72.4 Ų | 72.4 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | trans | -72.5 | 133 | 172.4 | -173.7 | -79.5 | 0 | 0 | 0 | 111.8 | R223 F224 K225 A226 H235 | R223-D233 IonicContact CZ-OD1 3.04Å; R223-D233 IonicContact CZ-OD2 3.97Å; R223-D233 IonicContact NH1-OD1 2.69Å; R223-D233 PolarHBondContact NH1-OD1 2.89Å; R223-D233 IonicContact NH1-OD2 3.09Å; R223-D233 PolarHBondContact NH1-OD2 2.76Å; R223-D233 IonicContact NH2-OD1 2.96Å; R223-D233 PolarHBondContact NH2-OD1 2.79Å; R223-D233 IonicContact NH2-OD2 3.94Å; R223-D233 PolarHBondContact NH2-OD2 2.91Å; R223-D233 VanDerWaalsContact NH2-OD2 3.16Å; F224-D233 WeakPolarHBondContact O-CA 3.36Å; K225-D233 VanDerWaalsContact CA-OD2 3.32Å; K225-D233 WeakPolarHBondContact CA-OD2 3.38Å; A226-D233 HydrophobicContact CB-CB 3.99Å; D233-H235 IonicContact OD1-CE1 3.44Å | ||
| 234 | F | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -153.9 | 162.3 | 175.5 | 55.1 | -104.1 | 0 | 0 | 0 | 114.7 | A220 Y222 R223 F224 L232 D238 I240 M255 F262 Y266 L267 | A220-F234 HydrophobicContact CB-CD2 3.4Å; A220-F234 HydrophobicContact CB-CE2 3.68Å; A220-F234 HydrophobicContact CB-CG 4.33Å; Y222-F234 WeakPolarHBondContact O-CE2 3.49Å; R223-F234 WeakPolarHBondContact CA-O 3.29Å; R223-F234 PolarHBondContact NH1-O 3.09Å; F224-F234 HydrophobicContact CB-CD1 4.22Å; F224-F234 HydrophobicContact CB-CD2 3.97Å; F224-F234 HydrophobicContact CB-CE1 3.84Å; F224-F234 HydrophobicContact CB-CE2 3.55Å; F224-F234 HydrophobicContact CB-CG 4.29Å; F224-F234 HydrophobicContact CB-CZ 3.48Å; F224-F234 VanDerWaalsContact CB-CZ 3.48Å; F224-F234 HydrophobicContact CD1-CD1 4.35Å; F224-F234 AromaticContact CD1-CE1 3.79Å; F224-F234 HydrophobicContact CD1-CE1 3.79Å; F224-F234 HydrophobicContact CD1-CZ 4.12Å; F224-F234 HydrophobicContact CG-CE1 4.24Å; F224-F234 HydrophobicContact CG-CZ 4.13Å; F224-F234 PolarHBondContact N-O 2.96Å; F224-F234 PolarHBondContact O-N 3.07Å; L232-F234 HydrophobicContact CB-CD1 4.43Å; L232-F234 HydrophobicContact CD2-CD1 4.23Å; L232-F234 HydrophobicContact CG-CD1 4.16Å; L232-F234 WeakPolarHBondContact O-CD1 3.47Å; F234-D238 HydrophobicContact CB-CB 4.4Å; F234-I240 HydrophobicContact CB-CD1 4.12Å; F234-I240 HydrophobicContact CD1-CD1 3.54Å; F234-I240 HydrophobicContact CD2-CD1 3.95Å; F234-I240 HydrophobicContact CE1-CD1 3.76Å; F234-I240 HydrophobicContact CE2-CD1 4.15Å; F234-I240 HydrophobicContact CG-CD1 3.63Å; F234-I240 HydrophobicContact CZ-CD1 4.06Å; F234-M255 HydrophobicContact CB-CE 3.13Å; F234-M255 HydrophobicContact CG-CE 4.36Å; F234-F262 HydrophobicContact CE1-CB 3.47Å; F234-F262 VanDerWaalsContact CE1-CB 3.47Å; F234-F262 AromaticContact CE1-CD1 3.92Å; F234-F262 HydrophobicContact CE1-CD1 3.92Å; F234-F262 HydrophobicContact CE1-CD2 4.25Å; F234-F262 AromaticContact CE1-CG 3.61Å; F234-F262 HydrophobicContact CE1-CG 3.61Å; F234-F262 HydrophobicContact CZ-CB 3.85Å; F234-F262 HydrophobicContact CZ-CD2 4.28Å; F234-F262 HydrophobicContact CZ-CG 4.04Å; F234-Y266 HydrophobicContact CE2-CD1 4.21Å; F234-Y266 HydrophobicContact CZ-CD1 4.42Å; F234-L267 HydrophobicContact CE2-CD2 4.31Å; F234-L267 HydrophobicContact CZ-CD2 4.19Å |
| 235 | H | 92.6 | Very high | 92.1 | Very high | 91 Ų | 91 | 74.1 Ų | 74.1 | 42% | 0.421 | 37% | 0.369 | S | S | . | . | trans | -110.4 | 156.6 | 178.9 | -65.1 | 83.7 | 0 | 0 | 0 | 111.9 | A220 R223 D233 G237 D238 | A220-H235 VanDerWaalsContact CB-O 3.22Å; A220-H235 WeakPolarHBondContact CB-O 3.3Å; R223-H235 PolarHBondContact NE-NE2 3.27Å; R223-H235 PolarHBondContact NH1-CE1 2.82Å; R223-H235 PolarHBondContact NH1-ND1 2.69Å; R223-H235 PolarHBondContact NH1-NE2 3.38Å; R223-H235 VanDerWaalsContact NH1-NE2 3.15Å; D233-H235 IonicContact OD1-CE1 3.44Å; H235-G237 PolarHBondContact O-N 3.48Å; H235-D238 PolarHBondContact N-OD2 3.07Å; H235-D238 WeakPolarHBondContact O-CB 3.35Å; H235-D238 VanDerWaalsContact O-CG 3.29Å; H235-D238 PolarHBondContact O-N 3.33Å; H235-D238 VanDerWaalsContact O-N 3.14Å | ||
| 236 | P | 91.3 | Very high | 92.1 | Very high | 39 Ų | 39 | 72 Ų | 72 | 25% | 0.253 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 127.1 | 173.5 | -17.6 | 28.7 | 0 | 0 | 0 | 110.9 | A220 R223 I299 | A220-P236 CarbonylContact O-C 3.48Å; A220-P236 WeakPolarHBondContact O-CA 3.34Å; R223-P236 HydrophobicContact CB-CG 4.45Å; P236-I299 HydrophobicContact CB-CD1 4.25Å; P236-I299 HydrophobicContact CB-CG1 3.85Å |
| 237 | G | 90.9 | Very high | 92 | Very high | 10 Ų | 10 | 74.1 Ų | 74.1 | 10% | 0.103 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102.9 | -12.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A220 H235 | A220-G237 PolarHBondContact O-N 2.98Å; H235-G237 PolarHBondContact O-N 3.48Å |
| 238 | D | 92.6 | Very high | 92 | Very high | 47 Ų | 47 | 75.3 Ų | 75.3 | 25% | 0.251 | 38% | 0.381 | S | S | . | . | trans | -68.4 | 138.4 | 179.9 | -67.4 | -13.1 | 0 | 0 | 0 | 111.4 | L219 A220 F234 H235 M255 | L219-D238 CarbonylContact C-O 3.47Å; L219-D238 WeakPolarHBondContact CA-O 3.28Å; A220-D238 HydrophobicContact CB-CB 4.46Å; A220-D238 PolarHBondContact N-O 2.92Å; F234-D238 HydrophobicContact CB-CB 4.4Å; H235-D238 PolarHBondContact N-OD2 3.07Å; H235-D238 WeakPolarHBondContact O-CB 3.35Å; H235-D238 VanDerWaalsContact O-CG 3.29Å; H235-D238 PolarHBondContact O-N 3.33Å; H235-D238 VanDerWaalsContact O-N 3.14Å; D238-M255 HydrophobicContact CB-CE 3.7Å; D238-M255 HydrophobicContact CB-SD 4.45Å; D238-M255 WeakPolarHBondContact OD2-CE 3.14Å | ||
| 239 | R | 92.5 | Very high | 92 | Very high | 136 Ų | 136 | 75.7 Ų | 75.7 | 51% | 0.513 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 125 | 175 | -173.4 | 177.4 | -179.7 | -175.4 | 1.7 | 110.1 | Y217 Y218 L219 F332 | Y217-R239 HydrophobicContact CD2-CG 4.26Å; Y218-R239 WeakPolarHBondContact O-CA 3.22Å; L219-R239 HydrophobicContact CD2-CB 3.88Å; L219-R239 HydrophobicContact CD2-CG 4.29Å; R239-F332 HydrophobicContact CB-CE1 4.43Å |
| 240 | I | 93.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 70.8 Ų | 70.8 | 2% | 0.015 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.9 | -177.7 | -66.6 | 162.4 | 0 | 0 | 0 | 109.1 | Y218 A220 L232 F234 M255 F262 L267 | Y218-I240 PolarHBondContact O-N 3.36Å; A220-I240 HydrophobicContact CB-CD1 4.11Å; L232-I240 HydrophobicContact CD2-CG2 4.25Å; F234-I240 HydrophobicContact CB-CD1 4.12Å; F234-I240 HydrophobicContact CD1-CD1 3.54Å; F234-I240 HydrophobicContact CD2-CD1 3.95Å; F234-I240 HydrophobicContact CE1-CD1 3.76Å; F234-I240 HydrophobicContact CE2-CD1 4.15Å; F234-I240 HydrophobicContact CG-CD1 3.63Å; F234-I240 HydrophobicContact CZ-CD1 4.06Å; I240-M255 HydrophobicContact CG1-CE 4.45Å; I240-F262 HydrophobicContact CG2-CE1 3.75Å; I240-F262 HydrophobicContact CG2-CZ 3.73Å; I240-L267 HydrophobicContact CB-CD1 4.07Å; I240-L267 HydrophobicContact CB-CD2 4.49Å; I240-L267 HydrophobicContact CD1-CD1 4.39Å; I240-L267 HydrophobicContact CD1-CD2 3.47Å; I240-L267 VanDerWaalsContact CD1-CD2 3.47Å; I240-L267 HydrophobicContact CG2-CD1 3.98Å |
| 241 | I | 93.6 | Very high | 92.4 | Very high | 102 Ų | 102 | 67.9 Ų | 67.9 | 52% | 0.523 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 111.5 | 172.4 | -57.8 | 171.9 | 0 | 0 | 0 | 106.5 | L243 G253 K254 | I241-L243 HydrophobicContact CG2-CD2 4.25Å; I241-L243 PolarHBondContact O-N 3.01Å; I241-G253 CarbonylContact O-C 3.54Å; I241-G253 WeakPolarHBondContact O-CA 3.39Å; I241-K254 PolarHBondContact N-O 3.46Å; I241-K254 PolarHBondContact O-N 2.87Å |
| 242 | V | 94.2 | Very high | 92.4 | Very high | 20 Ų | 20 | 71.8 Ų | 71.8 | 12% | 0.121 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 124.7 | 175 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | Y218 D245 W251 F262 L267 | Y218-V242 HydrophobicContact CD2-CB 3.99Å; Y218-V242 HydrophobicContact CD2-CG2 3.3Å; Y218-V242 HydrophobicContact CE2-CB 3.9Å; Y218-V242 HydrophobicContact CE2-CG2 3.54Å; Y218-V242 HydrophobicContact CG-CG2 3.85Å; V242-D245 HydrophobicContact CG1-CB 4.04Å; V242-W251 HydrophobicContact CG1-CE3 4.16Å; V242-W251 HydrophobicContact CG2-CE3 3.96Å; V242-W251 HydrophobicContact CG2-CZ3 4.32Å; V242-F262 HydrophobicContact CG2-CZ 4.39Å; V242-L267 HydrophobicContact CG2-CD1 3.97Å |
| 243 | L | 93.3 | Very high | 92.5 | Very high | 88 Ų | 88 | 71.7 Ų | 71.7 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -35.8 | 179.3 | -63.9 | -178.3 | 0 | 0 | 0 | 111.6 | I241 R252 K254 T259 | I241-L243 HydrophobicContact CG2-CD2 4.25Å; I241-L243 PolarHBondContact O-N 3.01Å; L243-R252 PolarHBondContact N-O 3.15Å; L243-K254 HydrophobicContact CD1-CB 3.96Å; L243-K254 HydrophobicContact CD2-CB 4.5Å; L243-K254 HydrophobicContact CG-CB 4.19Å; L243-T259 HydrophobicContact CD1-CG2 3.68Å |
| 244 | D | 91.7 | Very high | 92.6 | Very high | 67 Ų | 67 | 73.5 Ų | 73.5 | 36% | 0.358 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 120.6 | 179.9 | -169.3 | -5.2 | 0 | 0 | 0 | 110 | S246 W251 R252 | D244-S246 WeakPolarHBondContact OD1-CB 3.5Å; D244-S246 PolarHBondContact OD1-N 3.13Å; D244-S246 PolarHBondContact OD1-OG 3.22Å; D244-W251 WeakPolarHBondContact O-CA 2.89Å; D244-R252 HydrophobicContact CB-CB 3.87Å; D244-R252 PolarHBondContact N-O 3.3Å; D244-R252 PolarHBondContact O-N 2.82Å |
| 245 | D | 92.1 | Very high | 92.5 | Very high | 95 Ų | 95 | 75.8 Ų | 75.8 | 51% | 0.508 | 37% | 0.37 | S | S | . | . | trans | -116.1 | 17.1 | 176.4 | 60.6 | -14.8 | 0 | 0 | 0 | 112.9 | V242 N247 W251 | V242-D245 HydrophobicContact CG1-CB 4.04Å; D245-N247 PolarHBondContact O-N 2.98Å; D245-W251 HydrophobicContact CB-CD2 4.02Å; D245-W251 HydrophobicContact CB-CG 4.26Å; D245-W251 HydrophobicContact CB-CZ2 4.11Å | ||
| 246 | S | 91.2 | Very high | 92.3 | Very high | 106 Ų | 106 | 74.5 Ų | 74.5 | 74% | 0.741 | 38% | 0.381 | S | S | * | . | trans | -64 | -23.6 | -176.9 | -54 | 0 | 0 | 0 | 0 | 113.9 | D244 | D244-S246 WeakPolarHBondContact OD1-CB 3.5Å; D244-S246 PolarHBondContact OD1-N 3.13Å; D244-S246 PolarHBondContact OD1-OG 3.22Å | ||
| 247 | N | 89.4 | Confident | 92.2 | Very high | 81 Ų | 81 | 81.7 Ų | 81.7 | 43% | 0.433 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -105 | 133.3 | 177.5 | 178.3 | -44.3 | 0 | 0 | 0 | 109.8 | D245 E249 W250 W251 | D245-N247 PolarHBondContact O-N 2.98Å; N247-E249 VanDerWaalsContact C-N 3.32Å; N247-E249 PolarHBondContact O-N 3.32Å; N247-E249 PolarHBondContact OD1-N 2.89Å; N247-W250 WeakPolarHBondContact CB-O 3.49Å; N247-W250 PolarHBondContact OD1-N 3.12Å; N247-W250 VanDerWaalsContact OD1-N 3.08Å; N247-W251 PolarHBondContact O-NE1 2.7Å |
| 248 | E | 88.9 | Confident | 92.3 | Very high | 177 Ų | 177 | 88 Ų | 88 | 83% | 0.827 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -72.9 | -23.4 | -175.2 | -61.8 | -172.3 | 168.7 | 0 | 0 | 114 | A264 | E248-A264 WeakPolarHBondContact O-CB 3.34Š|
| 249 | E | 89.8 | Confident | 92.4 | Very high | 141 Ų | 141 | 88.5 Ų | 88.5 | 66% | 0.659 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -96.7 | -41.4 | -174.2 | -68.9 | 166.9 | 164.3 | 0 | 0 | 111.4 | N247 P263 A264 | N247-E249 VanDerWaalsContact C-N 3.32Å; N247-E249 PolarHBondContact O-N 3.32Å; N247-E249 PolarHBondContact OD1-N 2.89Å; E249-P263 VanDerWaalsContact O-CA 3.26Å; E249-P263 WeakPolarHBondContact O-CA 3.24Å; E249-A264 PolarHBondContact O-N 3.09Å |
| 250 | W | 93.1 | Very high | 92.5 | Very high | 109 Ų | 109 | 82.1 Ų | 82.1 | 41% | 0.413 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 117.9 | -174.6 | -71.8 | 86.6 | 0 | 0 | 0 | 111.9 | F224 N247 F262 P263 | F224-W250 HydrophobicContact CZ-CH2 4.17Å; F224-W250 AromaticContact CZ-CZ3 3.95Å; F224-W250 HydrophobicContact CZ-CZ3 3.95Å; N247-W250 WeakPolarHBondContact CB-O 3.49Å; N247-W250 PolarHBondContact OD1-N 3.12Å; N247-W250 VanDerWaalsContact OD1-N 3.08Å; W250-F262 WeakPolarHBondContact CA-O 3.07Å; W250-P263 HydrophobicContact CH2-CG 4.4Å; W250-P263 HydrophobicContact CZ3-CG 4.42Å |
| 251 | W | 95.3 | Very high | 92.5 | Very high | 44 Ų | 44 | 86.6 Ų | 86.6 | 17% | 0.167 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 152.1 | 175 | -70.2 | -4.3 | 0 | 0 | 0 | 110.7 | Y218 V242 D244 D245 N247 Y261 F262 A264 | Y218-W251 HydrophobicContact CD1-CZ3 4.39Å; Y218-W251 HydrophobicContact CE1-CH2 4.4Å; Y218-W251 AromaticContact CE1-CZ3 3.95Å; Y218-W251 HydrophobicContact CE1-CZ3 3.95Å; V242-W251 HydrophobicContact CG1-CE3 4.16Å; V242-W251 HydrophobicContact CG2-CE3 3.96Å; V242-W251 HydrophobicContact CG2-CZ3 4.32Å; D244-W251 WeakPolarHBondContact O-CA 2.89Å; D245-W251 HydrophobicContact CB-CD2 4.02Å; D245-W251 HydrophobicContact CB-CG 4.26Å; D245-W251 HydrophobicContact CB-CZ2 4.11Å; N247-W251 PolarHBondContact O-NE1 2.7Å; W251-Y261 CarbonylContact O-C 3.58Å; W251-Y261 VanDerWaalsContact O-CA 3.29Å; W251-Y261 WeakPolarHBondContact O-CA 3.31Å; W251-F262 HydrophobicContact CB-CD2 4.36Å; W251-F262 HydrophobicContact CB-CE2 3.72Å; W251-F262 HydrophobicContact CB-CZ 3.97Å; W251-F262 HydrophobicContact CE3-CE2 4.39Å; W251-F262 PolarHBondContact N-O 2.87Å; W251-F262 PolarHBondContact O-N 2.94Å; W251-A264 HydrophobicContact CD2-CB 3.63Å; W251-A264 VanDerWaalsContact CE2-CB 3.46Å; W251-A264 HydrophobicContact CE3-CB 4.2Å; W251-A264 HydrophobicContact CG-CB 3.91Å; W251-A264 HydrophobicContact CH2-CB 4.44Å; W251-A264 HydrophobicContact CZ2-CB 3.9Å |
| 252 | R | 94.3 | Very high | 92.6 | Very high | 102 Ų | 102 | 81.8 Ų | 81.8 | 39% | 0.385 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133.4 | 169.3 | -160 | 177.3 | 179.2 | -127.1 | 0.4 | 109 | L243 D244 T259 G260 Y261 | L243-R252 PolarHBondContact N-O 3.15Å; D244-R252 HydrophobicContact CB-CB 3.87Å; D244-R252 PolarHBondContact N-O 3.3Å; D244-R252 PolarHBondContact O-N 2.82Å; R252-T259 HydrophobicContact CG-CG2 4.41Å; R252-G260 WeakPolarHBondContact CA-O 3.42Å; R252-Y261 HydrophobicContact CB-CD1 3.94Å; R252-Y261 HydrophobicContact CB-CE1 3.78Å; R252-Y261 HydrophobicContact CG-CD1 4.17Å; R252-Y261 HydrophobicContact CG-CE1 3.96Å |
| 253 | G | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 177.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | I241 T259 G260 | I241-G253 CarbonylContact O-C 3.54Å; I241-G253 WeakPolarHBondContact O-CA 3.39Å; G253-T259 WeakPolarHBondContact O-CA 3.46Å; G253-T259 WeakPolarHBondContact O-CG2 3.34Å; G253-G260 PolarHBondContact N-O 2.74Å; G253-G260 PolarHBondContact O-N 2.94Å |
| 254 | K | 94.6 | Very high | 92.4 | Very high | 85 Ų | 85 | 78.3 Ų | 78.3 | 37% | 0.37 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 135.6 | -174.4 | -179.4 | 173.9 | 178.1 | 176 | 0 | 110.1 | I241 L243 G256 K258 | I241-K254 PolarHBondContact N-O 3.46Å; I241-K254 PolarHBondContact O-N 2.87Å; L243-K254 HydrophobicContact CD1-CB 3.96Å; L243-K254 HydrophobicContact CD2-CB 4.5Å; L243-K254 HydrophobicContact CG-CB 4.19Å; K254-G256 WeakPolarHBondContact CE-O 3.49Å; K254-K258 CarbonylContact C-O 3.35Å; K254-K258 VanDerWaalsContact CA-O 3.31Å; K254-K258 WeakPolarHBondContact CA-O 3.45Å; K254-K258 WeakPolarHBondContact CG-O 3.32Å |
| 255 | M | 92.7 | Very high | 92.4 | Very high | 49 Ų | 49 | 80.6 Ų | 80.6 | 24% | 0.241 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 116.8 | 169.6 | -172.4 | -145.7 | -62.3 | 0 | 0 | 108.6 | L232 F234 D238 I240 E257 K258 | L232-M255 HydrophobicContact CD1-CB 4.42Å; L232-M255 HydrophobicContact CD2-CB 4.4Å; F234-M255 HydrophobicContact CB-CE 3.13Å; F234-M255 HydrophobicContact CG-CE 4.36Å; D238-M255 HydrophobicContact CB-CE 3.7Å; D238-M255 HydrophobicContact CB-SD 4.45Å; D238-M255 WeakPolarHBondContact OD2-CE 3.14Å; I240-M255 HydrophobicContact CG1-CE 4.45Å; M255-E257 PolarHBondContact O-N 3.03Å; M255-K258 PolarHBondContact N-O 3.18Å; M255-K258 PolarHBondContact O-N 3.48Å |
| 256 | G | 88.3 | Confident | 92.4 | Very high | 64 Ų | 64 | 79.5 Ų | 79.5 | 66% | 0.66 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | -121.2 | -172 | 0 | 0 | 0 | 0 | 0 | 110.6 | K254 | K254-G256 WeakPolarHBondContact CE-O 3.49Š|
| 257 | E | 89.4 | Confident | 92.5 | Very high | 189 Ų | 189 | 75.2 Ų | 75.2 | 88% | 0.883 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -15.9 | 176.2 | -61.5 | -172.4 | 142.4 | 0 | 0 | 113.6 | M255 | M255-E257 PolarHBondContact O-N 3.03Š|
| 258 | K | 92.4 | Very high | 92.6 | Very high | 144 Ų | 144 | 72 Ų | 72 | 63% | 0.626 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 136.6 | -176.5 | -62.4 | -179.1 | -177.1 | 177 | 0 | 110.6 | L232 K254 M255 | L232-K258 HydrophobicContact CD1-CB 3.78Å; K254-K258 CarbonylContact C-O 3.35Å; K254-K258 VanDerWaalsContact CA-O 3.31Å; K254-K258 WeakPolarHBondContact CA-O 3.45Å; K254-K258 WeakPolarHBondContact CG-O 3.32Å; M255-K258 PolarHBondContact N-O 3.18Å; M255-K258 PolarHBondContact O-N 3.48Å |
| 259 | T | 94.9 | Very high | 92.7 | Very high | 56 Ų | 56 | 68.7 Ų | 68.7 | 34% | 0.344 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.5 | 176.2 | -53.8 | 0 | 0 | 0 | 0 | 108.5 | L243 R252 G253 | L243-T259 HydrophobicContact CD1-CG2 3.68Å; R252-T259 HydrophobicContact CG-CG2 4.41Å; G253-T259 WeakPolarHBondContact O-CA 3.46Å; G253-T259 WeakPolarHBondContact O-CG2 3.34Å |
| 260 | G | 94.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 62 Ų | 62 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.7 | -177.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | D230 R252 G253 | D230-G260 CarbonylContact O-C 3.59Å; D230-G260 WeakPolarHBondContact O-CA 3.31Å; R252-G260 WeakPolarHBondContact CA-O 3.42Å; G253-G260 PolarHBondContact N-O 2.74Å; G253-G260 PolarHBondContact O-N 2.94Å |
| 261 | Y | 94.4 | Very high | 92.6 | Very high | 98 Ų | 98 | 64.3 Ų | 64.3 | 38% | 0.384 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 152 | 179 | -65.1 | -81.6 | 0 | 0 | 0 | 111.9 | F224 D230 L232 W251 R252 | F224-Y261 WeakPolarHBondContact CE1-O 3.41Å; D230-Y261 HydrophobicContact CB-CD2 4.18Å; D230-Y261 HydrophobicContact CB-CE2 4.5Å; D230-Y261 PolarHBondContact O-N 3.32Å; L232-Y261 PolarHBondContact N-O 2.96Å; W251-Y261 CarbonylContact O-C 3.58Å; W251-Y261 VanDerWaalsContact O-CA 3.29Å; W251-Y261 WeakPolarHBondContact O-CA 3.31Å; R252-Y261 HydrophobicContact CB-CD1 3.94Å; R252-Y261 HydrophobicContact CB-CE1 3.78Å; R252-Y261 HydrophobicContact CG-CD1 4.17Å; R252-Y261 HydrophobicContact CG-CE1 3.96Å |
| 262 | F | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 161.6 | 173.5 | 54.9 | -95.6 | 0 | 0 | 0 | 111.6 | F224 L232 F234 I240 V242 W250 W251 A264 L267 | F224-F262 HydrophobicContact CD1-CB 3.75Å; F224-F262 HydrophobicContact CE1-CB 3.84Å; L232-F262 HydrophobicContact CB-CD1 4.08Å; L232-F262 HydrophobicContact CD2-CD1 3.83Å; L232-F262 HydrophobicContact CD2-CE1 3.88Å; F234-F262 HydrophobicContact CE1-CB 3.47Å; F234-F262 VanDerWaalsContact CE1-CB 3.47Å; F234-F262 AromaticContact CE1-CD1 3.92Å; F234-F262 HydrophobicContact CE1-CD1 3.92Å; F234-F262 HydrophobicContact CE1-CD2 4.25Å; F234-F262 AromaticContact CE1-CG 3.61Å; F234-F262 HydrophobicContact CE1-CG 3.61Å; F234-F262 HydrophobicContact CZ-CB 3.85Å; F234-F262 HydrophobicContact CZ-CD2 4.28Å; F234-F262 HydrophobicContact CZ-CG 4.04Å; I240-F262 HydrophobicContact CG2-CE1 3.75Å; I240-F262 HydrophobicContact CG2-CZ 3.73Å; V242-F262 HydrophobicContact CG2-CZ 4.39Å; W250-F262 WeakPolarHBondContact CA-O 3.07Å; W251-F262 HydrophobicContact CB-CD2 4.36Å; W251-F262 HydrophobicContact CB-CE2 3.72Å; W251-F262 HydrophobicContact CB-CZ 3.97Å; W251-F262 HydrophobicContact CE3-CE2 4.39Å; W251-F262 PolarHBondContact N-O 2.87Å; W251-F262 PolarHBondContact O-N 2.94Å; F262-A264 PolarHBondContact O-N 2.96Å; F262-L267 HydrophobicContact CD2-CD1 4.21Å; F262-L267 HydrophobicContact CD2-CG 4.17Å; F262-L267 HydrophobicContact CE2-CD1 3.26Å; F262-L267 HydrophobicContact CE2-CD2 4.34Å; F262-L267 HydrophobicContact CE2-CG 3.64Å; F262-L267 HydrophobicContact CZ-CD1 3.54Å; F262-L267 HydrophobicContact CZ-CG 4.37Å |
| 263 | P | 93.3 | Very high | 91.7 | Very high | 25 Ų | 25 | 65.3 Ų | 65.3 | 16% | 0.162 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 132.1 | 179.2 | -17 | 30.4 | 0 | 0 | 0 | 112.4 | F224 E249 W250 N265 Y266 | F224-P263 HydrophobicContact CE2-CG 4.25Å; E249-P263 VanDerWaalsContact O-CA 3.26Å; E249-P263 WeakPolarHBondContact O-CA 3.24Å; W250-P263 HydrophobicContact CH2-CG 4.4Å; W250-P263 HydrophobicContact CZ3-CG 4.42Å; P263-N265 PolarHBondContact O-N 3.17Å; P263-N265 VanDerWaalsContact O-N 3.12Å; P263-Y266 HydrophobicContact CB-CD2 3.74Å; P263-Y266 HydrophobicContact CB-CE2 4.09Å; P263-Y266 HydrophobicContact CG-CD2 4Å; P263-Y266 HydrophobicContact CG-CE2 4.03Å; P263-Y266 WeakPolarHBondContact O-CB 3.39Å; P263-Y266 PolarHBondContact O-N 2.74Å |
| 264 | A | 90.3 | Very high | 91.5 | Very high | 11 Ų | 11 | 66.7 Ų | 66.7 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -54.9 | -37.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | E248 E249 W251 F262 Y266 L267 | E248-A264 WeakPolarHBondContact O-CB 3.34Å; E249-A264 PolarHBondContact O-N 3.09Å; W251-A264 HydrophobicContact CD2-CB 3.63Å; W251-A264 VanDerWaalsContact CE2-CB 3.46Å; W251-A264 HydrophobicContact CE3-CB 4.2Å; W251-A264 HydrophobicContact CG-CB 3.91Å; W251-A264 HydrophobicContact CH2-CB 4.44Å; W251-A264 HydrophobicContact CZ2-CB 3.9Å; F262-A264 PolarHBondContact O-N 2.96Å; A264-Y266 PolarHBondContact O-N 3.36Å; A264-L267 PolarHBondContact O-N 3.35Å; A264-L267 VanDerWaalsContact O-N 3.17Å |
| 265 | N | 91.5 | Very high | 91.4 | Very high | 114 Ų | 114 | 68.7 Ų | 68.7 | 61% | 0.61 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -68.2 | -3.8 | -179 | -73.2 | -46.6 | 0 | 0 | 0 | 115.5 | P263 | P263-N265 PolarHBondContact O-N 3.17Å; P263-N265 VanDerWaalsContact O-N 3.12Å |
| 266 | Y | 92.1 | Very high | 91.5 | Very high | 73 Ų | 73 | 66.5 Ų | 66.5 | 29% | 0.286 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -87.8 | -14.9 | 176.5 | -83.2 | -126.8 | 0 | 0 | 0 | 112 | L221 Y222 F224 F234 P263 A264 | L221-Y266 WeakPolarHBondContact CB-O 3.39Å; L221-Y266 PolarHBondContact N-O 3.38Å; Y222-Y266 HydrophobicContact CD2-CD1 4.33Å; Y222-Y266 HydrophobicContact CD2-CD2 4.46Å; Y222-Y266 HydrophobicContact CD2-CG 4.27Å; F224-Y266 HydrophobicContact CB-CD1 3.88Å; F224-Y266 HydrophobicContact CB-CE1 4.07Å; F224-Y266 HydrophobicContact CD2-CE1 4.21Å; F234-Y266 HydrophobicContact CE2-CD1 4.21Å; F234-Y266 HydrophobicContact CZ-CD1 4.42Å; P263-Y266 HydrophobicContact CB-CD2 3.74Å; P263-Y266 HydrophobicContact CB-CE2 4.09Å; P263-Y266 HydrophobicContact CG-CD2 4Å; P263-Y266 HydrophobicContact CG-CE2 4.03Å; P263-Y266 WeakPolarHBondContact O-CB 3.39Å; P263-Y266 PolarHBondContact O-N 2.74Å; A264-Y266 PolarHBondContact O-N 3.36Å |
| 267 | L | 92.4 | Very high | 91.8 | Very high | 16 Ų | 16 | 64.8 Ų | 64.8 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 152.9 | 179.1 | -55.3 | -164.6 | 0 | 0 | 0 | 112 | Y218 L219 A220 F234 I240 V242 F262 A264 | Y218-L267 HydrophobicContact CD1-CB 4.33Å; Y218-L267 HydrophobicContact CG-CD1 4.34Å; L219-L267 CarbonylContact O-C 3.48Å; L219-L267 VanDerWaalsContact O-CA 3.25Å; L219-L267 WeakPolarHBondContact O-CA 3.29Å; A220-L267 HydrophobicContact CB-CD2 4.15Å; F234-L267 HydrophobicContact CE2-CD2 4.31Å; F234-L267 HydrophobicContact CZ-CD2 4.19Å; I240-L267 HydrophobicContact CB-CD1 4.07Å; I240-L267 HydrophobicContact CB-CD2 4.49Å; I240-L267 HydrophobicContact CD1-CD1 4.39Å; I240-L267 HydrophobicContact CD1-CD2 3.47Å; I240-L267 VanDerWaalsContact CD1-CD2 3.47Å; I240-L267 HydrophobicContact CG2-CD1 3.98Å; V242-L267 HydrophobicContact CG2-CD1 3.97Å; F262-L267 HydrophobicContact CD2-CD1 4.21Å; F262-L267 HydrophobicContact CD2-CG 4.17Å; F262-L267 HydrophobicContact CE2-CD1 3.26Å; F262-L267 HydrophobicContact CE2-CD2 4.34Å; F262-L267 HydrophobicContact CE2-CG 3.64Å; F262-L267 HydrophobicContact CZ-CD1 3.54Å; F262-L267 HydrophobicContact CZ-CG 4.37Å; A264-L267 PolarHBondContact O-N 3.35Å; A264-L267 VanDerWaalsContact O-N 3.17Å |
| 268 | I | 91.6 | Very high | 92.1 | Very high | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.7 | 166.2 | -171.8 | 158.6 | 0 | 0 | 0 | 109.6 | Y218 L219 L221 V270 V301 | Y218-I268 WeakPolarHBondContact CA-O 3.32Å; L219-I268 HydrophobicContact CB-CG2 4.01Å; L219-I268 PolarHBondContact N-O 2.92Å; L219-I268 PolarHBondContact O-N 3.3Å; L221-I268 HydrophobicContact CD1-CB 4.01Å; L221-I268 HydrophobicContact CD2-CB 3.84Å; L221-I268 HydrophobicContact CD2-CD1 4.26Å; L221-I268 HydrophobicContact CD2-CG2 3.58Å; L221-I268 HydrophobicContact CG-CB 3.87Å; L221-I268 HydrophobicContact CG-CG2 3.94Å; I268-V270 HydrophobicContact CG2-CG2 3.98Å; I268-V301 HydrophobicContact CD1-CG2 3.65Å; I268-V301 HydrophobicContact CG1-CG2 4.24Å; I268-V301 HydrophobicContact CG2-CG2 4.42Å |
| 269 | K | 91.6 | Very high | 92.1 | Very high | 106 Ų | 106 | 52.1 Ų | 52.1 | 46% | 0.461 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 121.3 | 170.7 | -173 | 169.1 | 176.2 | 141.6 | 0 | 109.2 | H216 Y218 | H216-K269 HydrophobicContact CB-CG 4.19Å; H216-K269 WeakPolarHBondContact CD2-CE 3.48Å; H216-K269 PolarHBondContact CD2-NZ 3.46Å; H216-K269 PolarHBondContact CE1-NZ 3.39Å; H216-K269 VanDerWaalsContact CG-CE 3.47Å; H216-K269 WeakPolarHBondContact NE2-CE 3.36Å; H216-K269 PolarHBondContact NE2-NZ 2.92Å; Y218-K269 HydrophobicContact CD1-CB 4.02Å; Y218-K269 HydrophobicContact CE1-CB 3.66Å; Y218-K269 HydrophobicContact CE1-CD 4.22Å; Y218-K269 HydrophobicContact CE1-CG 3.96Å |
| 270 | V | 91.6 | Very high | 92 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.5 | 179.7 | -172.1 | 0 | 0 | 0 | 0 | 108.9 | H216 Y217 L219 I268 E274 V276 V301 | H216-V270 CarbonylContact C-O 3.51Å; H216-V270 WeakPolarHBondContact CA-O 3.43Å; H216-V270 VanDerWaalsContact CB-O 3.31Å; H216-V270 WeakPolarHBondContact CB-O 3.48Å; Y217-V270 HydrophobicContact CD1-CB 4.35Å; Y217-V270 HydrophobicContact CD2-CB 4.33Å; Y217-V270 HydrophobicContact CE1-CB 3.96Å; Y217-V270 HydrophobicContact CE1-CG1 3.81Å; Y217-V270 HydrophobicContact CE2-CB 3.96Å; Y217-V270 HydrophobicContact CE2-CG1 4.21Å; Y217-V270 HydrophobicContact CE2-CG2 4.37Å; Y217-V270 PolarHBondContact N-O 3.39Å; Y217-V270 PolarHBondContact O-N 2.75Å; Y217-V270 WeakPolarHBondContact OH-CG1 3.49Å; L219-V270 HydrophobicContact CD1-CG2 4.06Å; L219-V270 HydrophobicContact CG-CG2 4.14Å; I268-V270 HydrophobicContact CG2-CG2 3.98Å; V270-E274 HydrophobicContact CG1-CB 3.87Å; V270-V276 HydrophobicContact CB-CG2 4.43Å; V270-V276 HydrophobicContact CG1-CG2 3.59Å; V270-V276 HydrophobicContact CG2-CG2 4.05Å; V270-V301 HydrophobicContact CG1-CG1 4.46Å; V270-V301 HydrophobicContact CG2-CG2 3.97Å |
| 271 | R | 90.3 | Very high | 91.7 | Very high | 159 Ų | 159 | 58 Ų | 58 | 60% | 0.6 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 152.3 | 173.2 | -64.6 | 177.4 | 174.5 | 165.9 | -2.3 | 110.2 | S215 S273 E274 | S215-R271 WeakPolarHBondContact O-CA 3.22Å; R271-S273 PolarHBondContact O-N 3.42Å; R271-S273 VanDerWaalsContact O-N 3.08Å; R271-E274 HydrophobicContact CB-CG 4.04Å; R271-E274 PolarHBondContact N-OE2 2.71Å; R271-E274 VanDerWaalsContact N-OE2 3.13Å; R271-E274 WeakPolarHBondContact O-CB 3.44Å; R271-E274 PolarHBondContact O-N 2.98Å |
| 272 | A | 84.4 | Confident | 91.4 | Very high | 66 Ų | 66 | 54.2 Ų | 54.2 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | S215 E274 | S215-A272 PolarHBondContact O-N 3.24Å; A272-E274 VanDerWaalsContact C-N 3.35Å |
| 273 | S | 86.4 | Confident | 91 | Very high | 101 Ų | 101 | 55 Ų | 55 | 71% | 0.706 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -10.8 | 176.2 | 64.4 | 0 | 0 | 0 | 0 | 114 | R271 | R271-S273 PolarHBondContact O-N 3.42Å; R271-S273 VanDerWaalsContact O-N 3.08Å |
| 274 | E | 90.9 | Very high | 90.8 | Very high | 28 Ų | 28 | 54.7 Ų | 54.7 | 13% | 0.131 | 27% | 0.267 | C | S | . | . | trans | -89.3 | 140.8 | -176.6 | -68 | -180 | 152.2 | 0 | 0 | 110.8 | V270 R271 A272 V301 K303 | V270-E274 HydrophobicContact CG1-CB 3.87Å; R271-E274 HydrophobicContact CB-CG 4.04Å; R271-E274 PolarHBondContact N-OE2 2.71Å; R271-E274 VanDerWaalsContact N-OE2 3.13Å; R271-E274 WeakPolarHBondContact O-CB 3.44Å; R271-E274 PolarHBondContact O-N 2.98Å; A272-E274 VanDerWaalsContact C-N 3.35Å; E274-V301 HydrophobicContact CB-CG1 3.76Å; E274-V301 HydrophobicContact CG-CG1 4.3Å; E274-K303 VanDerWaalsContact CD-NZ 3.35Å; E274-K303 IonicContact OE1-NZ 2.63Å; E274-K303 PolarHBondContact OE1-NZ 3.18Å; E274-K303 IonicContact OE2-NZ 3.44Å; E274-K303 PolarHBondContact OE2-NZ 3.43Å | ||
| 275 | R | 92.5 | Very high | 90.5 | Very high | 128 Ų | 128 | 54.6 Ų | 54.6 | 48% | 0.483 | 27% | 0.267 | S | S | . | . | trans | -95.8 | 139.6 | 174.7 | -64.2 | -54.3 | -164.1 | -120 | -2.9 | 110.4 | Y277 K302 E329 | R275-Y277 HydrophobicContact CB-CD2 4.49Å; R275-Y277 HydrophobicContact CB-CE2 3.56Å; R275-K302 HydrophobicContact CB-CB 4.22Å; R275-K302 HydrophobicContact CB-CD 4.39Å; R275-K302 PolarHBondContact O-N 3.21Å; R275-E329 WeakPolarHBondContact CD-OE1 3.27Å; R275-E329 IonicContact NE-OE1 3.46Å; R275-E329 PolarHBondContact NE-OE1 2.9Å | ||
| 276 | V | 94 | Very high | 90.1 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 137.2 | -179.3 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | L219 V270 I299 V300 V301 I330 | L219-V276 HydrophobicContact CD1-CB 4.01Å; L219-V276 HydrophobicContact CD1-CG1 3.56Å; L219-V276 HydrophobicContact CD1-CG2 3.68Å; V270-V276 HydrophobicContact CB-CG2 4.43Å; V270-V276 HydrophobicContact CG1-CG2 3.59Å; V270-V276 HydrophobicContact CG2-CG2 4.05Å; V276-I299 HydrophobicContact CG1-CG2 3.49Å; V276-I299 VanDerWaalsContact CG1-CG2 3.49Å; V276-V300 WeakPolarHBondContact CA-O 3.1Å; V276-V301 HydrophobicContact CG2-CG2 4.35Å; V276-I330 HydrophobicContact CG1-CD1 4.11Å; V276-I330 PolarHBondContact O-N 3.44Å |
| 277 | Y | 94.9 | Very high | 89.7 | Confident | 28 Ų | 28 | 54.7 Ų | 54.7 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.8 | -179.8 | -62.5 | -92.3 | 0 | 0 | 0 | 110.6 | R275 V300 K302 L311 L327 Q328 E329 | R275-Y277 HydrophobicContact CB-CD2 4.49Å; R275-Y277 HydrophobicContact CB-CE2 3.56Å; Y277-V300 PolarHBondContact N-O 3.08Å; Y277-V300 PolarHBondContact O-N 3.48Å; Y277-K302 HydrophobicContact CD2-CB 4.2Å; Y277-K302 HydrophobicContact CE2-CB 3.72Å; Y277-K302 HydrophobicContact CE2-CD 4.19Å; Y277-L311 HydrophobicContact CD2-CD2 4.06Å; Y277-L311 HydrophobicContact CE2-CD2 3.81Å; Y277-L327 HydrophobicContact CD1-CB 3.86Å; Y277-L327 HydrophobicContact CG-CB 4.13Å; Y277-L327 HydrophobicContact CG-CD1 4.41Å; Y277-Q328 CarbonylContact C-O 3.44Å; Y277-Q328 VanDerWaalsContact CA-O 3.23Å; Y277-Q328 WeakPolarHBondContact CA-O 3.26Å; Y277-E329 HydrophobicContact CD1-CB 3.92Å; Y277-E329 HydrophobicContact CD1-CG 4.39Å; Y277-E329 HydrophobicContact CE1-CB 3.6Å; Y277-E329 HydrophobicContact CE1-CG 3.89Å; Y277-E329 PolarHBondContact OH-OE2 2.71Å |
| 278 | K | 94.4 | Very high | 89 | Confident | 67 Ų | 67 | 57 Ų | 57 | 29% | 0.291 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.6 | 167.5 | -173.6 | 174.3 | 178 | -173.9 | 0 | 109.3 | T280 D297 I299 Q328 I330 | K278-T280 PolarHBondContact O-N 3.18Å; K278-D297 WeakPolarHBondContact CE-OD1 3.24Å; K278-D297 IonicContact NZ-OD1 3.27Å; K278-D297 PolarHBondContact NZ-OD1 3.33Å; K278-I299 HydrophobicContact CB-CD1 4.16Å; K278-I299 HydrophobicContact CG-CD1 4.04Å; K278-Q328 PolarHBondContact N-O 3.03Å; K278-Q328 PolarHBondContact O-N 2.88Å; K278-I330 HydrophobicContact CB-CD1 3.8Å; K278-I330 HydrophobicContact CB-CG1 3.93Å |
| 279 | V | 94.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 118.3 | 176.9 | 176.9 | 0 | 0 | 0 | 0 | 109.8 | R281 L294 K295 D297 Q298 F322 L326 L327 | V279-R281 WeakPolarHBondContact CG1-O 3.25Å; V279-L294 HydrophobicContact CG1-CB 4.42Å; V279-L294 HydrophobicContact CG2-CB 3.96Å; V279-L294 HydrophobicContact CG2-CD1 3.71Å; V279-L294 HydrophobicContact CG2-CG 4.49Å; V279-K295 WeakPolarHBondContact CB-O 3.12Å; V279-K295 VanDerWaalsContact CG1-O 3.24Å; V279-K295 WeakPolarHBondContact CG1-O 3.19Å; V279-D297 PolarHBondContact O-N 3.05Å; V279-Q298 HydrophobicContact CG2-CB 4.25Å; V279-Q298 WeakPolarHBondContact CG2-O 3.19Å; V279-Q298 PolarHBondContact N-O 3.37Å; V279-F322 HydrophobicContact CG1-CE1 3.99Å; V279-F322 HydrophobicContact CG1-CZ 3.66Å; V279-F322 HydrophobicContact CG2-CE1 4.15Å; V279-F322 HydrophobicContact CG2-CZ 4.26Å; V279-L326 WeakPolarHBondContact CA-O 3.43Å; V279-L327 HydrophobicContact CG2-CD2 3.89Å |
| 280 | T | 92.3 | Very high | 88.2 | Confident | 55 Ų | 55 | 58.3 Ų | 58.3 | 34% | 0.337 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -79.9 | -27.3 | -177.7 | 61.2 | 0 | 0 | 0 | 0 | 112.6 | K278 K296 L326 Q328 | K278-T280 PolarHBondContact O-N 3.18Å; T280-K296 WeakPolarHBondContact O-CG 3.06Å; T280-L326 PolarHBondContact N-O 3.38Å; T280-L326 WeakPolarHBondContact OG1-CA 3.44Å; T280-L326 PolarHBondContact OG1-O 2.9Å; T280-Q328 HydrophobicContact CG2-CB 3.6Å |
| 281 | R | 87.9 | Confident | 88.1 | Confident | 128 Ų | 128 | 58.8 Ų | 58.8 | 48% | 0.483 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -146.5 | 141.5 | -179.8 | -163.9 | -179.6 | -61.1 | 179.6 | 2.2 | 111.4 | V279 F283 L326 | V279-R281 WeakPolarHBondContact CG1-O 3.25Å; R281-F283 PolarHBondContact O-N 3.18Å; R281-L326 HydrophobicContact CB-CD2 4.06Å |
| 282 | S | 87.8 | Confident | 88.1 | Confident | 18 Ų | 18 | 52.2 Ų | 52.2 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | trans | -60.1 | 130.6 | 172.3 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | L294 K295 K296 | S282-L294 WeakPolarHBondContact CA-O 3.49Å; S282-K295 WeakPolarHBondContact OG-CA 3.49Å; S282-K296 PolarHBondContact OG-N 3.49Å | ||
| 283 | F | 87.9 | Confident | 88.4 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -137.3 | 137.6 | 179 | 171.6 | -96 | 0 | 0 | 0 | 110.4 | Q108 R281 T293 L294 Y310 F322 L326 | Q108-F283 HydrophobicContact CG-CD2 4.09Å; R281-F283 PolarHBondContact O-N 3.18Å; F283-T293 VanDerWaalsContact O-CA 3.29Å; F283-T293 WeakPolarHBondContact O-CA 3.32Å; F283-L294 PolarHBondContact N-O 3.41Å; F283-L294 PolarHBondContact O-N 2.85Å; F283-L294 VanDerWaalsContact O-N 3.07Å; F283-Y310 HydrophobicContact CE1-CE1 4.15Å; F283-Y310 HydrophobicContact CZ-CE1 4.1Å; F283-F322 HydrophobicContact CB-CE2 3.59Å; F283-F322 HydrophobicContact CB-CZ 3.68Å; F283-F322 AromaticContact CD1-CD2 3.92Å; F283-F322 HydrophobicContact CD1-CD2 3.92Å; F283-F322 AromaticContact CD1-CE2 3.67Å; F283-F322 HydrophobicContact CD1-CE2 3.67Å; F283-F322 HydrophobicContact CD1-CZ 4.38Å; F283-F322 HydrophobicContact CG-CE2 4.08Å; F283-F322 HydrophobicContact CG-CZ 4.42Å; F283-L326 HydrophobicContact CB-CD1 3.59Å; F283-L326 HydrophobicContact CD2-CD1 3.99Å; F283-L326 HydrophobicContact CG-CD1 3.97Å |
| 284 | V | 87 | Confident | 88.6 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 11% | 0.109 | 23% | 0.225 | C | C | . | . | trans | -103 | 102.5 | -179.2 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | D74 V75 V105 Q108 T293 | D74-V284 HydrophobicContact CB-CG1 4.33Å; D74-V284 WeakPolarHBondContact O-CG1 3.17Å; V75-V284 HydrophobicContact CB-CG2 4.18Å; V75-V284 HydrophobicContact CG1-CG2 4.1Å; V75-V284 HydrophobicContact CG2-CG2 3.96Å; V105-V284 HydrophobicContact CG1-CB 4.07Å; V105-V284 HydrophobicContact CG1-CG2 3.51Å; Q108-V284 VanDerWaalsContact NE2-N 3.12Å; Q108-V284 VanDerWaalsContact OE1-CB 3.3Å; Q108-V284 PolarHBondContact OE1-O 3.42Å; V284-T293 HydrophobicContact CB-CG2 4.37Å; V284-T293 HydrophobicContact CG1-CG2 4.49Å; V284-T293 HydrophobicContact CG2-CG2 3.98Å | ||
| 285 | G | 85.9 | Confident | 88.5 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 9% | 0.093 | 24% | 0.238 | C | C | . | . | trans | -72.7 | 145.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R287 I292 T293 | G285-R287 PolarHBondContact O-N 3.29Å; G285-I292 PolarHBondContact N-O 3.01Å; G285-T293 PolarHBondContact N-OG1 3.18Å | ||
| 286 | N | 83.2 | Confident | 88.3 | Confident | 23 Ų | 23 | 49.9 Ų | 49.9 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | trans | -74 | 103.8 | 166.5 | -173.1 | -5.1 | 0 | 0 | 0 | 111.2 | F111 E288 M289 Q291 | F111-N286 HydrophobicContact CD2-CB 4.19Å; F111-N286 HydrophobicContact CE2-CB 4.19Å; N286-E288 PolarHBondContact O-N 3.33Å; N286-E288 VanDerWaalsContact O-N 3.15Å; N286-E288 PolarHBondContact OD1-N 3.23Å; N286-E288 VanDerWaalsContact OD1-N 3.13Å; N286-M289 HydrophobicContact CB-CB 4.45Å; N286-M289 HydrophobicContact CB-CG 4.4Å; N286-M289 PolarHBondContact O-N 3.08Å; N286-Q291 WeakPolarHBondContact O-CB 3.27Å; N286-Q291 PolarHBondContact O-N 3.04Å; N286-Q291 VanDerWaalsContact O-N 3.09Å | ||
| 287 | R | 83 | Confident | 88.1 | Confident | 165 Ų | 165 | 53 Ų | 53 | 62% | 0.623 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -57.9 | -28.2 | -179.1 | -163.3 | 173.4 | -178.5 | -167.8 | -7 | 113.6 | Y122 G285 M289 G290 | Y122-R287 HydrophobicContact CE2-CG 4.33Å; Y122-R287 VanDerWaalsContact CE2-CZ 3.41Å; Y122-R287 VanDerWaalsContact CZ-NE 3.32Å; Y122-R287 VanDerWaalsContact CZ-NH2 3.29Å; Y122-R287 VanDerWaalsContact OH-CG 3.31Å; Y122-R287 WeakPolarHBondContact OH-CG 3.26Å; Y122-R287 PolarHBondContact OH-NE 2.97Å; Y122-R287 PolarHBondContact OH-NH2 3.03Å; G285-R287 PolarHBondContact O-N 3.29Å; R287-M289 VanDerWaalsContact C-N 3.28Å; R287-M289 PolarHBondContact O-N 3.45Å; R287-G290 PolarHBondContact O-N 3.21Å; R287-G290 VanDerWaalsContact O-N 3.15Å |
| 288 | E | 77.3 | Confident | 87.9 | Confident | 64 Ų | 64 | 54.2 Ų | 54.2 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -72.5 | -23.6 | 178.8 | -61.7 | -175.5 | 164 | 0 | 0 | 112.7 | I114 N286 G290 | I114-E288 WeakPolarHBondContact CB-OE2 3.45Å; I114-E288 VanDerWaalsContact CD1-OE2 3.24Å; I114-E288 WeakPolarHBondContact CD1-OE2 3.43Å; I114-E288 WeakPolarHBondContact CG1-OE2 3.43Å; I114-E288 WeakPolarHBondContact CG2-OE2 3.41Å; N286-E288 PolarHBondContact O-N 3.33Å; N286-E288 VanDerWaalsContact O-N 3.15Å; N286-E288 PolarHBondContact OD1-N 3.23Å; N286-E288 VanDerWaalsContact OD1-N 3.13Å; E288-G290 VanDerWaalsContact C-N 3.32Å |
| 289 | M | 80.3 | Confident | 87.9 | Confident | 115 Ų | 115 | 51.2 Ų | 51.2 | 57% | 0.567 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -93.2 | 8.8 | 172.8 | -61.7 | -175.4 | 69.7 | 0 | 0 | 112.3 | N286 R287 Q291 | N286-M289 HydrophobicContact CB-CB 4.45Å; N286-M289 HydrophobicContact CB-CG 4.4Å; N286-M289 PolarHBondContact O-N 3.08Å; R287-M289 VanDerWaalsContact C-N 3.28Å; R287-M289 PolarHBondContact O-N 3.45Å; M289-Q291 HydrophobicContact CB-CG 4.23Å; M289-Q291 PolarHBondContact O-N 3.3Å |
| 290 | G | 85.6 | Confident | 87.9 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 35% | 0.351 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 13 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R287 E288 G320 Y321 | R287-G290 PolarHBondContact O-N 3.21Å; R287-G290 VanDerWaalsContact O-N 3.15Å; E288-G290 VanDerWaalsContact C-N 3.32Å; G290-G320 WeakPolarHBondContact O-CA 3.29Å; G290-Y321 PolarHBondContact O-N 2.07Å |
| 291 | Q | 89.9 | Confident | 88 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -78.6 | 151.1 | 175.2 | -58.8 | 171.7 | 3.9 | 0 | 0 | 110.7 | N286 M289 Y310 Y321 | N286-Q291 WeakPolarHBondContact O-CB 3.27Å; N286-Q291 PolarHBondContact O-N 3.04Å; N286-Q291 VanDerWaalsContact O-N 3.09Å; M289-Q291 HydrophobicContact CB-CG 4.23Å; M289-Q291 PolarHBondContact O-N 3.3Å; Q291-Y310 VanDerWaalsContact CD-CE1 3.45Å; Q291-Y310 HydrophobicContact CG-CD1 4.11Å; Q291-Y310 HydrophobicContact CG-CE1 3.99Å; Q291-Y310 VanDerWaalsContact NE2-CE1 3.35Å; Q291-Y310 PolarHBondContact NE2-OH 3.34Å; Q291-Y321 CarbonylContact C-O 3.6Å; Q291-Y321 WeakPolarHBondContact CA-O 3.18Å; Q291-Y321 WeakPolarHBondContact CB-O 3.17Å |
| 292 | I | 89.9 | Confident | 88.4 | Confident | 22 Ų | 22 | 45.6 Ų | 45.6 | 11% | 0.113 | 23% | 0.225 | C | C | . | . | trans | -114.4 | 147.6 | -179.3 | 57.7 | 172.9 | 0 | 0 | 0 | 111.5 | G285 L294 V313 Y321 F322 | G285-I292 PolarHBondContact N-O 3.01Å; I292-L294 HydrophobicContact CD1-CD1 3.99Å; I292-L294 HydrophobicContact CD1-CD2 3.88Å; I292-L294 HydrophobicContact CD1-CG 3.99Å; I292-L294 HydrophobicContact CG1-CD1 4.4Å; I292-L294 HydrophobicContact CG1-CD2 4.39Å; I292-L294 HydrophobicContact CG1-CG 4.14Å; I292-V313 HydrophobicContact CD1-CG2 3.73Å; I292-Y321 PolarHBondContact N-O 3.09Å; I292-F322 HydrophobicContact CG1-CB 4.27Å; I292-F322 HydrophobicContact CG1-CD2 4.39Å | ||
| 293 | T | 90.3 | Very high | 88.6 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 34% | 0.337 | 24% | 0.238 | S | C | . | . | trans | -86.7 | 119.4 | 171.4 | -59.3 | 0 | 0 | 0 | 0 | 109.4 | F283 V284 G285 | F283-T293 VanDerWaalsContact O-CA 3.29Å; F283-T293 WeakPolarHBondContact O-CA 3.32Å; V284-T293 HydrophobicContact CB-CG2 4.37Å; V284-T293 HydrophobicContact CG1-CG2 4.49Å; V284-T293 HydrophobicContact CG2-CG2 3.98Å; G285-T293 PolarHBondContact N-OG1 3.18Å | ||
| 294 | L | 91.2 | Very high | 88.7 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -123.7 | 151.9 | 173.5 | -55.4 | 176.1 | 0 | 0 | 0 | 110.3 | V279 S282 F283 I292 V300 V313 T315 F322 | V279-L294 HydrophobicContact CG1-CB 4.42Å; V279-L294 HydrophobicContact CG2-CB 3.96Å; V279-L294 HydrophobicContact CG2-CD1 3.71Å; V279-L294 HydrophobicContact CG2-CG 4.49Å; S282-L294 WeakPolarHBondContact CA-O 3.49Å; F283-L294 PolarHBondContact N-O 3.41Å; F283-L294 PolarHBondContact O-N 2.85Å; F283-L294 VanDerWaalsContact O-N 3.07Å; I292-L294 HydrophobicContact CD1-CD1 3.99Å; I292-L294 HydrophobicContact CD1-CD2 3.88Å; I292-L294 HydrophobicContact CD1-CG 3.99Å; I292-L294 HydrophobicContact CG1-CD1 4.4Å; I292-L294 HydrophobicContact CG1-CD2 4.39Å; I292-L294 HydrophobicContact CG1-CG 4.14Å; L294-V300 HydrophobicContact CD1-CG1 3.56Å; L294-V300 HydrophobicContact CD2-CG1 4.34Å; L294-V313 HydrophobicContact CD1-CG2 4.29Å; L294-T315 HydrophobicContact CD2-CG2 3.38Å; L294-F322 HydrophobicContact CB-CD2 3.98Å; L294-F322 HydrophobicContact CB-CE2 3.48Å; L294-F322 VanDerWaalsContact CB-CE2 3.48Å; L294-F322 HydrophobicContact CB-CZ 3.98Å; L294-F322 HydrophobicContact CD1-CB 4.21Å; L294-F322 HydrophobicContact CD1-CD1 4.16Å; L294-F322 HydrophobicContact CD1-CD2 3.51Å; L294-F322 HydrophobicContact CD1-CE1 4.4Å; L294-F322 HydrophobicContact CD1-CE2 3.79Å; L294-F322 HydrophobicContact CD1-CG 3.68Å; L294-F322 HydrophobicContact CD1-CZ 4.23Å; L294-F322 HydrophobicContact CG-CD2 3.68Å; L294-F322 HydrophobicContact CG-CE2 3.75Å; L294-F322 HydrophobicContact CG-CG 4.37Å; L294-F322 HydrophobicContact CG-CZ 4.49Å |
| 295 | K | 89.3 | Confident | 88.9 | Confident | 89 Ų | 89 | 54 Ų | 54 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | trans | -97.5 | 155.8 | 176.4 | -62.6 | -178.5 | -177.2 | 177.9 | 0 | 110.4 | V279 S282 Q298 | V279-K295 WeakPolarHBondContact CB-O 3.12Å; V279-K295 VanDerWaalsContact CG1-O 3.24Å; V279-K295 WeakPolarHBondContact CG1-O 3.19Å; S282-K295 WeakPolarHBondContact OG-CA 3.49Å; K295-Q298 HydrophobicContact CB-CG 4.08Å; K295-Q298 WeakPolarHBondContact O-CB 3.43Å; K295-Q298 WeakPolarHBondContact O-CG 3.36Å; K295-Q298 PolarHBondContact O-N 3.37Å | ||
| 296 | K | 88.1 | Confident | 89.1 | Confident | 123 Ų | 123 | 58.9 Ų | 58.9 | 54% | 0.535 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 143.2 | 167.3 | -172 | -176.9 | 174.6 | -168.7 | 0 | 110.6 | T280 S282 Q298 | T280-K296 WeakPolarHBondContact O-CG 3.06Å; S282-K296 PolarHBondContact OG-N 3.49Å; K296-Q298 PolarHBondContact O-N 3.27Å |
| 297 | D | 89.7 | Confident | 89.3 | Confident | 68 Ų | 68 | 64.4 Ų | 64.4 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 6.5 | 178.9 | -54.8 | -56 | 0 | 0 | 0 | 115.2 | K278 V279 | K278-D297 WeakPolarHBondContact CE-OD1 3.24Å; K278-D297 IonicContact NZ-OD1 3.27Å; K278-D297 PolarHBondContact NZ-OD1 3.33Å; V279-D297 PolarHBondContact O-N 3.05Å |
| 298 | Q | 91.9 | Very high | 89.5 | Confident | 53 Ų | 53 | 61.4 Ų | 61.4 | 25% | 0.248 | 32% | 0.323 | C | S | . | . | trans | -73.4 | 142 | 170.4 | -71 | -168.4 | -42 | 0 | 0 | 111.6 | V279 K295 K296 | V279-Q298 HydrophobicContact CG2-CB 4.25Å; V279-Q298 WeakPolarHBondContact CG2-O 3.19Å; V279-Q298 PolarHBondContact N-O 3.37Å; K295-Q298 HydrophobicContact CB-CG 4.08Å; K295-Q298 WeakPolarHBondContact O-CB 3.43Å; K295-Q298 WeakPolarHBondContact O-CG 3.36Å; K295-Q298 PolarHBondContact O-N 3.37Å; K296-Q298 PolarHBondContact O-N 3.27Å | ||
| 299 | I | 93.7 | Very high | 90 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 134.4 | 177.1 | -51.6 | -52 | 0 | 0 | 0 | 109.9 | L221 P236 V276 K278 I330 | L221-I299 HydrophobicContact CD2-CB 4.19Å; P236-I299 HydrophobicContact CB-CD1 4.25Å; P236-I299 HydrophobicContact CB-CG1 3.85Å; V276-I299 HydrophobicContact CG1-CG2 3.49Å; V276-I299 VanDerWaalsContact CG1-CG2 3.49Å; K278-I299 HydrophobicContact CB-CD1 4.16Å; K278-I299 HydrophobicContact CG-CD1 4.04Å; I299-I330 HydrophobicContact CD1-CD1 3.68Å; I299-I330 HydrophobicContact CG2-CD1 4.48Å |
| 300 | V | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 151.7 | 177 | -63.1 | 0 | 0 | 0 | 0 | 112 | V276 Y277 L294 V313 S314 T315 L327 | V276-V300 WeakPolarHBondContact CA-O 3.1Å; Y277-V300 PolarHBondContact N-O 3.08Å; Y277-V300 PolarHBondContact O-N 3.48Å; L294-V300 HydrophobicContact CD1-CG1 3.56Å; L294-V300 HydrophobicContact CD2-CG1 4.34Å; V300-V313 HydrophobicContact CB-CB 3.97Å; V300-V313 HydrophobicContact CB-CG2 4.15Å; V300-V313 HydrophobicContact CG1-CG2 4.34Å; V300-V313 HydrophobicContact CG2-CB 3.9Å; V300-V313 HydrophobicContact CG2-CG1 4.03Å; V300-V313 HydrophobicContact CG2-CG2 4.11Å; V300-S314 CarbonylContact C-O 3.51Å; V300-S314 WeakPolarHBondContact CA-O 3.35Å; V300-T315 HydrophobicContact CG1-CG2 3.75Å; V300-L327 HydrophobicContact CG2-CD2 3.86Å |
| 301 | V | 94.4 | Very high | 91 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.1 | 179.1 | -176.3 | 0 | 0 | 0 | 0 | 109 | I268 V270 E274 V276 K303 V313 S314 | I268-V301 HydrophobicContact CD1-CG2 3.65Å; I268-V301 HydrophobicContact CG1-CG2 4.24Å; I268-V301 HydrophobicContact CG2-CG2 4.42Å; V270-V301 HydrophobicContact CG1-CG1 4.46Å; V270-V301 HydrophobicContact CG2-CG2 3.97Å; E274-V301 HydrophobicContact CB-CG1 3.76Å; E274-V301 HydrophobicContact CG-CG1 4.3Å; V276-V301 HydrophobicContact CG2-CG2 4.35Å; V301-K303 PolarHBondContact O-N 2.75Å; V301-V313 CarbonylContact O-C 3.6Å; V301-V313 VanDerWaalsContact O-CA 3.31Å; V301-V313 WeakPolarHBondContact O-CA 3.19Å; V301-S314 PolarHBondContact N-O 2.96Å; V301-S314 PolarHBondContact O-N 2.86Å |
| 302 | K | 94.5 | Very high | 91.2 | Very high | 65 Ų | 65 | 58 Ų | 58 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 128.8 | 174.1 | 176.7 | 179.5 | 176.4 | 175.2 | 0 | 109.9 | R275 Y277 G304 L311 | R275-K302 HydrophobicContact CB-CB 4.22Å; R275-K302 HydrophobicContact CB-CD 4.39Å; R275-K302 PolarHBondContact O-N 3.21Å; Y277-K302 HydrophobicContact CD2-CB 4.2Å; Y277-K302 HydrophobicContact CE2-CB 3.72Å; Y277-K302 HydrophobicContact CE2-CD 4.19Å; K302-G304 WeakPolarHBondContact CE-O 3.43Å; K302-G304 WeakPolarHBondContact CG-O 3.49Å; K302-L311 HydrophobicContact CB-CD2 4.31Å; K302-L311 HydrophobicContact CD-CD1 3.95Å; K302-L311 HydrophobicContact CD-CD2 4.22Å; K302-L311 HydrophobicContact CD-CG 4.5Å; K302-L311 HydrophobicContact CG-CD1 4.08Å; K302-L311 HydrophobicContact CG-CD2 4.18Å; K302-L311 HydrophobicContact CG-CG 4.27Å |
| 303 | K | 93.2 | Very high | 91.5 | Very high | 93 Ų | 93 | 57 Ų | 57 | 40% | 0.404 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 0.6 | 179.4 | -67.4 | -63.1 | -176.7 | -179.8 | 0 | 113.4 | E274 V301 K312 L319 | E274-K303 VanDerWaalsContact CD-NZ 3.35Å; E274-K303 IonicContact OE1-NZ 2.63Å; E274-K303 PolarHBondContact OE1-NZ 3.18Å; E274-K303 IonicContact OE2-NZ 3.44Å; E274-K303 PolarHBondContact OE2-NZ 3.43Å; V301-K303 PolarHBondContact O-N 2.75Å; K303-K312 PolarHBondContact N-O 3.04Å; K303-L319 HydrophobicContact CB-CD1 3.83Å; K303-L319 HydrophobicContact CG-CD1 3.92Å |
| 304 | G | 90.6 | Very high | 91.6 | Very high | 19 Ų | 19 | 55.1 Ų | 55.1 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.7 | -177.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K302 K312 | K302-G304 WeakPolarHBondContact CE-O 3.43Å; K302-G304 WeakPolarHBondContact CG-O 3.49Å; G304-K312 PolarHBondContact N-O 3.46Å |
| 305 | D | 89.4 | Confident | 91.5 | Very high | 117 Ų | 117 | 55.8 Ų | 55.8 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 160.5 | -175.6 | -55.5 | -57.9 | 0 | 0 | 0 | 113.1 | ||
| 306 | E | 91.1 | Very high | 91.3 | Very high | 112 Ų | 112 | 53.9 Ų | 53.9 | 52% | 0.523 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 132.9 | 172.6 | -167.6 | -179.1 | 141 | 0 | 0 | 110 | G309 Y310 L311 A324 | E306-G309 WeakPolarHBondContact OE1-CA 3.4Å; E306-Y310 WeakPolarHBondContact CA-O 3.46Å; E306-L311 HydrophobicContact CB-CD1 4.01Å; E306-A324 HydrophobicContact CG-CB 4.21Å; E306-A324 WeakPolarHBondContact OE2-CB 3.34Å |
| 307 | K | 87.3 | Confident | 91.2 | Very high | 138 Ų | 138 | 56 Ų | 56 | 60% | 0.6 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 122.7 | 174.2 | -65.7 | -172.7 | 179.5 | -173.2 | 0 | 109 | G309 Y310 | K307-G309 VanDerWaalsContact C-N 3.31Å; K307-G309 PolarHBondContact O-N 3.41Å; K307-Y310 PolarHBondContact N-O 3.14Å; K307-Y310 PolarHBondContact O-N 3.02Å |
| 308 | A | 86.4 | Confident | 91.2 | Very high | 102 Ų | 102 | 59.4 Ų | 59.4 | 84% | 0.843 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 42 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y310 | A308-Y310 VanDerWaalsContact C-N 3.28Å; A308-Y310 WeakPolarHBondContact O-CD2 3.17Å; A308-Y310 PolarHBondContact O-N 2.98Å |
| 309 | G | 88.3 | Confident | 91.2 | Very high | 26 Ų | 26 | 61.5 Ų | 61.5 | 27% | 0.268 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | 4.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E306 K307 A324 | E306-G309 WeakPolarHBondContact OE1-CA 3.4Å; K307-G309 VanDerWaalsContact C-N 3.31Å; K307-G309 PolarHBondContact O-N 3.41Å; G309-A324 PolarHBondContact O-N 2.99Å |
| 310 | Y | 92.1 | Very high | 91.1 | Very high | 52 Ų | 52 | 61.6 Ų | 61.6 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128.1 | 175.9 | -68 | -93.8 | 0 | 0 | 0 | 111.5 | F283 Q291 E306 K307 A308 F322 | F283-Y310 HydrophobicContact CE1-CE1 4.15Å; F283-Y310 HydrophobicContact CZ-CE1 4.1Å; Q291-Y310 VanDerWaalsContact CD-CE1 3.45Å; Q291-Y310 HydrophobicContact CG-CD1 4.11Å; Q291-Y310 HydrophobicContact CG-CE1 3.99Å; Q291-Y310 VanDerWaalsContact NE2-CE1 3.35Å; Q291-Y310 PolarHBondContact NE2-OH 3.34Å; E306-Y310 WeakPolarHBondContact CA-O 3.46Å; K307-Y310 PolarHBondContact N-O 3.14Å; K307-Y310 PolarHBondContact O-N 3.02Å; A308-Y310 VanDerWaalsContact C-N 3.28Å; A308-Y310 WeakPolarHBondContact O-CD2 3.17Å; A308-Y310 PolarHBondContact O-N 2.98Å; Y310-F322 CarbonylContact C-O 3.4Å; Y310-F322 VanDerWaalsContact CA-O 3.31Å; Y310-F322 WeakPolarHBondContact CA-O 3.23Å |
| 311 | L | 94.5 | Very high | 91.1 | Very high | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 137 | 175.9 | -168.2 | 65.7 | 0 | 0 | 0 | 110.8 | Y277 K302 E306 V313 Y321 F322 A324 L327 | Y277-L311 HydrophobicContact CD2-CD2 4.06Å; Y277-L311 HydrophobicContact CE2-CD2 3.81Å; K302-L311 HydrophobicContact CB-CD2 4.31Å; K302-L311 HydrophobicContact CD-CD1 3.95Å; K302-L311 HydrophobicContact CD-CD2 4.22Å; K302-L311 HydrophobicContact CD-CG 4.5Å; K302-L311 HydrophobicContact CG-CD1 4.08Å; K302-L311 HydrophobicContact CG-CD2 4.18Å; K302-L311 HydrophobicContact CG-CG 4.27Å; E306-L311 HydrophobicContact CB-CD1 4.01Å; L311-V313 HydrophobicContact CB-CG1 4.15Å; L311-V313 HydrophobicContact CD2-CG1 3.86Å; L311-V313 HydrophobicContact CG-CG1 3.9Å; L311-V313 PolarHBondContact O-N 3.44Å; L311-Y321 WeakPolarHBondContact O-CA 3.28Å; L311-F322 PolarHBondContact N-O 3.04Å; L311-F322 PolarHBondContact O-N 3Å; L311-A324 HydrophobicContact CB-CB 4.4Å; L311-L327 HydrophobicContact CB-CD1 4.03Å; L311-L327 HydrophobicContact CD2-CD1 3.73Å; L311-L327 HydrophobicContact CG-CD1 4.47Å |
| 312 | K | 94.9 | Very high | 91.1 | Very high | 68 Ų | 68 | 64.9 Ų | 64.9 | 30% | 0.296 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 112.4 | 172.6 | -169 | 176.8 | -178.6 | -176.4 | 0 | 110.1 | K303 G304 Y321 | K303-K312 PolarHBondContact N-O 3.04Å; G304-K312 PolarHBondContact N-O 3.46Å; K312-Y321 HydrophobicContact CB-CD1 4.06Å; K312-Y321 HydrophobicContact CB-CE1 3.8Å; K312-Y321 HydrophobicContact CD-CE1 4.44Å; K312-Y321 HydrophobicContact CG-CE1 4.25Å |
| 313 | V | 95 | Very high | 91 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 159.7 | -174.4 | -57.4 | 0 | 0 | 0 | 0 | 112.3 | I292 L294 V300 V301 L311 G320 F322 L327 | I292-V313 HydrophobicContact CD1-CG2 3.73Å; L294-V313 HydrophobicContact CD1-CG2 4.29Å; V300-V313 HydrophobicContact CB-CB 3.97Å; V300-V313 HydrophobicContact CB-CG2 4.15Å; V300-V313 HydrophobicContact CG1-CG2 4.34Å; V300-V313 HydrophobicContact CG2-CB 3.9Å; V300-V313 HydrophobicContact CG2-CG1 4.03Å; V300-V313 HydrophobicContact CG2-CG2 4.11Å; V301-V313 CarbonylContact O-C 3.6Å; V301-V313 VanDerWaalsContact O-CA 3.31Å; V301-V313 WeakPolarHBondContact O-CA 3.19Å; L311-V313 HydrophobicContact CB-CG1 4.15Å; L311-V313 HydrophobicContact CD2-CG1 3.86Å; L311-V313 HydrophobicContact CG-CG1 3.9Å; L311-V313 PolarHBondContact O-N 3.44Å; V313-G320 PolarHBondContact N-O 3.25Å; V313-G320 PolarHBondContact O-N 2.91Å; V313-F322 HydrophobicContact CG2-CB 3.8Å; V313-L327 HydrophobicContact CG1-CD1 3.91Å |
| 314 | S | 93 | Very high | 91 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 137.1 | 175.7 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | V300 V301 G316 K318 | V300-S314 CarbonylContact C-O 3.51Å; V300-S314 WeakPolarHBondContact CA-O 3.35Å; V301-S314 PolarHBondContact N-O 2.96Å; V301-S314 PolarHBondContact O-N 2.86Å; S314-G316 VanDerWaalsContact C-N 3.34Å; S314-G316 PolarHBondContact OG-N 2.9Å; S314-K318 VanDerWaalsContact CA-O 3.28Å; S314-K318 WeakPolarHBondContact CA-O 3.35Å; S314-K318 PolarHBondContact OG-O 2.77Å |
| 315 | T | 90.4 | Very high | 91 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 12% | 0.123 | 33% | 0.333 | C | S | . | . | trans | -94.5 | 12.2 | 172.5 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | L294 V300 R317 K318 | L294-T315 HydrophobicContact CD2-CG2 3.38Å; V300-T315 HydrophobicContact CG1-CG2 3.75Å; T315-R317 PolarHBondContact O-N 3.03Å; T315-R317 VanDerWaalsContact O-N 3.1Å; T315-K318 PolarHBondContact N-O 2.91Å; T315-K318 PolarHBondContact OG1-N 3.33Å; T315-K318 VanDerWaalsContact OG1-N 3.12Å; T315-K318 PolarHBondContact OG1-O 2.99Å | ||
| 316 | G | 85 | Confident | 91.2 | Very high | 50 Ų | 50 | 58.1 Ų | 58.1 | 52% | 0.515 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 80.7 | -34.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S314 | S314-G316 VanDerWaalsContact C-N 3.34Å; S314-G316 PolarHBondContact OG-N 2.9Å |
| 317 | R | 85.6 | Confident | 91.4 | Very high | 166 Ų | 166 | 53.9 Ų | 53.9 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -103.5 | -29.7 | 178.4 | -57.5 | -175.4 | -169.3 | -173.3 | 3.4 | 114.1 | T315 | T315-R317 PolarHBondContact O-N 3.03Å; T315-R317 VanDerWaalsContact O-N 3.1Å |
| 318 | K | 88.4 | Confident | 91.8 | Very high | 141 Ų | 141 | 53 Ų | 53 | 61% | 0.613 | 29% | 0.288 | S | S | * | . | trans | -130.7 | 148.3 | -175.9 | -62.9 | 179.8 | -178.3 | 175.4 | 0 | 109.5 | S314 T315 | S314-K318 VanDerWaalsContact CA-O 3.28Å; S314-K318 WeakPolarHBondContact CA-O 3.35Å; S314-K318 PolarHBondContact OG-O 2.77Å; T315-K318 PolarHBondContact N-O 2.91Å; T315-K318 PolarHBondContact OG1-N 3.33Å; T315-K318 VanDerWaalsContact OG1-N 3.12Å; T315-K318 PolarHBondContact OG1-O 2.99Å | ||
| 319 | L | 92 | Very high | 92.1 | Very high | 96 Ų | 96 | 51.9 Ų | 51.9 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.8 | 174.6 | -174.5 | 83.1 | 0 | 0 | 0 | 108.1 | K303 | K303-L319 HydrophobicContact CB-CD1 3.83Å; K303-L319 HydrophobicContact CG-CD1 3.92Å |
| 320 | G | 92.7 | Very high | 92.2 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 7% | 0.072 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.5 | -170.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G290 V313 | G290-G320 WeakPolarHBondContact O-CA 3.29Å; V313-G320 PolarHBondContact N-O 3.25Å; V313-G320 PolarHBondContact O-N 2.91Å |
| 321 | Y | 94.1 | Very high | 91.8 | Very high | 70 Ų | 70 | 55 Ų | 55 | 28% | 0.275 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 135.2 | -175 | -68.3 | -77.8 | 0 | 0 | 0 | 111.5 | G290 Q291 I292 L311 K312 | G290-Y321 PolarHBondContact O-N 2.07Å; Q291-Y321 CarbonylContact C-O 3.6Å; Q291-Y321 WeakPolarHBondContact CA-O 3.18Å; Q291-Y321 WeakPolarHBondContact CB-O 3.17Å; I292-Y321 PolarHBondContact N-O 3.09Å; L311-Y321 WeakPolarHBondContact O-CA 3.28Å; K312-Y321 HydrophobicContact CB-CD1 4.06Å; K312-Y321 HydrophobicContact CB-CE1 3.8Å; K312-Y321 HydrophobicContact CD-CE1 4.44Å; K312-Y321 HydrophobicContact CG-CE1 4.25Å |
| 322 | F | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 146.7 | 178.5 | -169 | -97.4 | 0 | 0 | 0 | 110.4 | V279 F283 I292 L294 Y310 L311 V313 A324 L326 L327 | V279-F322 HydrophobicContact CG1-CE1 3.99Å; V279-F322 HydrophobicContact CG1-CZ 3.66Å; V279-F322 HydrophobicContact CG2-CE1 4.15Å; V279-F322 HydrophobicContact CG2-CZ 4.26Å; F283-F322 HydrophobicContact CB-CE2 3.59Å; F283-F322 HydrophobicContact CB-CZ 3.68Å; F283-F322 AromaticContact CD1-CD2 3.92Å; F283-F322 HydrophobicContact CD1-CD2 3.92Å; F283-F322 AromaticContact CD1-CE2 3.67Å; F283-F322 HydrophobicContact CD1-CE2 3.67Å; F283-F322 HydrophobicContact CD1-CZ 4.38Å; F283-F322 HydrophobicContact CG-CE2 4.08Å; F283-F322 HydrophobicContact CG-CZ 4.42Å; I292-F322 HydrophobicContact CG1-CB 4.27Å; I292-F322 HydrophobicContact CG1-CD2 4.39Å; L294-F322 HydrophobicContact CB-CD2 3.98Å; L294-F322 HydrophobicContact CB-CE2 3.48Å; L294-F322 VanDerWaalsContact CB-CE2 3.48Å; L294-F322 HydrophobicContact CB-CZ 3.98Å; L294-F322 HydrophobicContact CD1-CB 4.21Å; L294-F322 HydrophobicContact CD1-CD1 4.16Å; L294-F322 HydrophobicContact CD1-CD2 3.51Å; L294-F322 HydrophobicContact CD1-CE1 4.4Å; L294-F322 HydrophobicContact CD1-CE2 3.79Å; L294-F322 HydrophobicContact CD1-CG 3.68Å; L294-F322 HydrophobicContact CD1-CZ 4.23Å; L294-F322 HydrophobicContact CG-CD2 3.68Å; L294-F322 HydrophobicContact CG-CE2 3.75Å; L294-F322 HydrophobicContact CG-CG 4.37Å; L294-F322 HydrophobicContact CG-CZ 4.49Å; Y310-F322 CarbonylContact C-O 3.4Å; Y310-F322 VanDerWaalsContact CA-O 3.31Å; Y310-F322 WeakPolarHBondContact CA-O 3.23Å; L311-F322 PolarHBondContact N-O 3.04Å; L311-F322 PolarHBondContact O-N 3Å; V313-F322 HydrophobicContact CG2-CB 3.8Å; F322-A324 PolarHBondContact O-N 2.84Å; F322-L326 HydrophobicContact CE1-CB 3.72Å; F322-L326 HydrophobicContact CZ-CB 4.22Å; F322-L327 HydrophobicContact CD1-CD1 4.07Å; F322-L327 HydrophobicContact CD1-CD2 3.54Å; F322-L327 HydrophobicContact CD1-CG 3.7Å; F322-L327 HydrophobicContact CE1-CD2 3.72Å; F322-L327 HydrophobicContact CE1-CG 4.08Å |
| 323 | S | 92.9 | Very high | 88.6 | Confident | 16 Ų | 16 | 64.7 Ų | 64.7 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 121.4 | -175.9 | -163.4 | 0 | 0 | 0 | 0 | 110.6 | D325 L326 | S323-D325 VanDerWaalsContact C-N 3.29Å; S323-D325 PolarHBondContact O-N 3.12Å; S323-L326 PolarHBondContact O-N 3.22Å; S323-L326 VanDerWaalsContact O-N 3.12Å |
| 324 | A | 92.8 | Very high | 88.2 | Confident | 21 Ų | 21 | 68 Ų | 68 | 17% | 0.174 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -62.8 | -36.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E306 G309 L311 F322 L326 L327 | E306-A324 HydrophobicContact CG-CB 4.21Å; E306-A324 WeakPolarHBondContact OE2-CB 3.34Å; G309-A324 PolarHBondContact O-N 2.99Å; L311-A324 HydrophobicContact CB-CB 4.4Å; F322-A324 PolarHBondContact O-N 2.84Å; A324-L326 PolarHBondContact O-N 3.01Å; A324-L327 WeakPolarHBondContact O-CB 3.39Å; A324-L327 PolarHBondContact O-N 3.38Å |
| 325 | D | 91.5 | Very high | 88 | Confident | 89 Ų | 89 | 70.7 Ų | 70.7 | 48% | 0.476 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -55.9 | -21.3 | 174.6 | -61 | -40.4 | 0 | 0 | 0 | 114.4 | R54 S323 | R54-D325 IonicContact CZ-OD1 3.6Å; R54-D325 IonicContact CZ-OD2 2.68Å; R54-D325 IonicContact NH1-OD2 3.95Å; R54-D325 PolarHBondContact NH1-OD2 3.42Å; R54-D325 IonicContact NH2-OD1 3.12Å; R54-D325 PolarHBondContact NH2-OD1 2.81Å; R54-D325 VanDerWaalsContact NH2-OD1 3.09Å; R54-D325 IonicContact NH2-OD2 3.04Å; R54-D325 PolarHBondContact NH2-OD2 3.2Å; S323-D325 VanDerWaalsContact C-N 3.29Å; S323-D325 PolarHBondContact O-N 3.12Å |
| 326 | L | 93.3 | Very high | 87.9 | Confident | 26 Ų | 26 | 73.6 Ų | 73.6 | 14% | 0.136 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -105.3 | 15.4 | -176.3 | -57.2 | -177.5 | 0 | 0 | 0 | 112.4 | V279 T280 R281 F283 F322 S323 A324 | V279-L326 WeakPolarHBondContact CA-O 3.43Å; T280-L326 PolarHBondContact N-O 3.38Å; T280-L326 WeakPolarHBondContact OG1-CA 3.44Å; T280-L326 PolarHBondContact OG1-O 2.9Å; R281-L326 HydrophobicContact CB-CD2 4.06Å; F283-L326 HydrophobicContact CB-CD1 3.59Å; F283-L326 HydrophobicContact CD2-CD1 3.99Å; F283-L326 HydrophobicContact CG-CD1 3.97Å; F322-L326 HydrophobicContact CE1-CB 3.72Å; F322-L326 HydrophobicContact CZ-CB 4.22Å; S323-L326 PolarHBondContact O-N 3.22Å; S323-L326 VanDerWaalsContact O-N 3.12Å; A324-L326 PolarHBondContact O-N 3.01Å |
| 327 | L | 94.8 | Very high | 88 | Confident | 22 Ų | 22 | 74.9 Ų | 74.9 | 12% | 0.115 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.3 | 178.7 | -65.9 | 177.8 | 0 | 0 | 0 | 109.9 | Y277 V279 V300 L311 V313 F322 A324 | Y277-L327 HydrophobicContact CD1-CB 3.86Å; Y277-L327 HydrophobicContact CG-CB 4.13Å; Y277-L327 HydrophobicContact CG-CD1 4.41Å; V279-L327 HydrophobicContact CG2-CD2 3.89Å; V300-L327 HydrophobicContact CG2-CD2 3.86Å; L311-L327 HydrophobicContact CB-CD1 4.03Å; L311-L327 HydrophobicContact CD2-CD1 3.73Å; L311-L327 HydrophobicContact CG-CD1 4.47Å; V313-L327 HydrophobicContact CG1-CD1 3.91Å; F322-L327 HydrophobicContact CD1-CD1 4.07Å; F322-L327 HydrophobicContact CD1-CD2 3.54Å; F322-L327 HydrophobicContact CD1-CG 3.7Å; F322-L327 HydrophobicContact CE1-CD2 3.72Å; F322-L327 HydrophobicContact CE1-CG 4.08Å; A324-L327 WeakPolarHBondContact O-CB 3.39Å; A324-L327 PolarHBondContact O-N 3.38Å |
| 328 | Q | 94.9 | Very high | 88.2 | Confident | 119 Ų | 119 | 69.3 Ų | 69.3 | 56% | 0.556 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124.3 | 171.8 | -179.2 | 175.5 | 15.9 | 0 | 0 | 108.4 | Y277 K278 T280 I330 | Y277-Q328 CarbonylContact C-O 3.44Å; Y277-Q328 VanDerWaalsContact CA-O 3.23Å; Y277-Q328 WeakPolarHBondContact CA-O 3.26Å; K278-Q328 PolarHBondContact N-O 3.03Å; K278-Q328 PolarHBondContact O-N 2.88Å; T280-Q328 HydrophobicContact CG2-CB 3.6Å; Q328-I330 PolarHBondContact O-N 2.86Å |
| 329 | E | 93.6 | Very high | 88.2 | Confident | 79 Ų | 79 | 64.5 Ų | 64.5 | 37% | 0.369 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 133 | 178.2 | -165 | 159.5 | 155.1 | 0 | 0 | 110.2 | R275 Y277 T331 | R275-E329 WeakPolarHBondContact CD-OE1 3.27Å; R275-E329 IonicContact NE-OE1 3.46Å; R275-E329 PolarHBondContact NE-OE1 2.9Å; Y277-E329 HydrophobicContact CD1-CB 3.92Å; Y277-E329 HydrophobicContact CD1-CG 4.39Å; Y277-E329 HydrophobicContact CE1-CB 3.6Å; Y277-E329 HydrophobicContact CE1-CG 3.89Å; Y277-E329 PolarHBondContact OH-OE2 2.71Å; E329-T331 HydrophobicContact CG-CG2 4.37Å |
| 330 | I | 90.7 | Very high | 87.9 | Confident | 38 Ų | 38 | 62.2 Ų | 62.2 | 20% | 0.195 | 34% | 0.337 | C | S | . | . | trans | -95.2 | 106.3 | 171.8 | -57.3 | 167 | 0 | 0 | 0 | 107 | V276 K278 I299 Q328 F332 | V276-I330 HydrophobicContact CG1-CD1 4.11Å; V276-I330 PolarHBondContact O-N 3.44Å; K278-I330 HydrophobicContact CB-CD1 3.8Å; K278-I330 HydrophobicContact CB-CG1 3.93Å; I299-I330 HydrophobicContact CD1-CD1 3.68Å; I299-I330 HydrophobicContact CG2-CD1 4.48Å; Q328-I330 PolarHBondContact O-N 2.86Å; I330-F332 HydrophobicContact CB-CE2 4.46Å; I330-F332 HydrophobicContact CB-CZ 4.25Å; I330-F332 HydrophobicContact CG2-CD1 4.37Å; I330-F332 HydrophobicContact CG2-CE1 3.69Å; I330-F332 HydrophobicContact CG2-CE2 3.89Å; I330-F332 HydrophobicContact CG2-CZ 3.39Å | ||
| 331 | T | 83.7 | Confident | 87.5 | Confident | 105 Ų | 105 | 66.5 Ų | 66.5 | 64% | 0.644 | 36% | 0.357 | S | S | * | . | trans | -94.7 | 125 | 171.4 | 52.4 | 0 | 0 | 0 | 0 | 109.2 | E329 | E329-T331 HydrophobicContact CG-CG2 4.37Š| ||
| 332 | F | 70.8 | Confident | 87 | Confident | 71 Ų | 71 | 66.2 Ų | 66.2 | 31% | 0.311 | 36% | 0.364 | S | S | . | . | trans | -92.7 | 107.6 | 171.5 | -54 | -81.5 | 0 | 0 | 0 | 106.9 | Y217 L219 R239 I330 | Y217-F332 HydrophobicContact CE2-CD2 4.11Å; Y217-F332 AromaticContact CE2-CE2 3.78Å; Y217-F332 HydrophobicContact CE2-CE2 3.78Å; Y217-F332 HydrophobicContact CE2-CZ 4.39Å; L219-F332 HydrophobicContact CD1-CE2 3.89Å; L219-F332 HydrophobicContact CD1-CZ 3.57Å; L219-F332 HydrophobicContact CD2-CE1 3.74Å; L219-F332 HydrophobicContact CD2-CE2 4.02Å; L219-F332 HydrophobicContact CD2-CZ 3.32Å; L219-F332 HydrophobicContact CG-CZ 4.08Å; R239-F332 HydrophobicContact CB-CE1 4.43Å; I330-F332 HydrophobicContact CB-CE2 4.46Å; I330-F332 HydrophobicContact CB-CZ 4.25Å; I330-F332 HydrophobicContact CG2-CD1 4.37Å; I330-F332 HydrophobicContact CG2-CE1 3.69Å; I330-F332 HydrophobicContact CG2-CE2 3.89Å; I330-F332 HydrophobicContact CG2-CZ 3.39Å | ||
| 333 | T | 50.5 | Low | 86.3 | Confident | 208 Ų | 208 | 72.2 Ų | 72.2 | 100% | 1.276 | 40% | 0.397 | S | S | * | . | trans | -72.5 | 0 | 171.8 | 46.1 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 333 of 333 residues in 192.6 ms
(Link to these results)