| 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 | 40.2 | Very low | 44.2 | Very low | 247 Ų | 247 | 167.6 Ų | 167.6 | 100% | 1.217 | 85% | 0.847 | S | S | * | * | 0 | 111.1 | 0 | -64.3 | -165.2 | 173.6 | 0 | 0 | 106.9 | |||||
| 2 | G | 33.3 | Very low | 44.2 | Very low | 74 Ų | 74 | 165.2 Ų | 165.2 | 76% | 0.763 | 84% | 0.836 | S | S | * | * | cis | 103.5 | 101.3 | 34.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | R | 42.1 | Very low | 44.2 | Very low | 232 Ų | 232 | 169.8 Ų | 169.8 | 88% | 0.875 | 84% | 0.84 | S | S | * | * | trans | 91.4 | 116.4 | 151.3 | -68.8 | -170.9 | 157 | 157.8 | -5.7 | 121.5 | ||||
| 4 | L | 43.9 | Very low | 43.7 | Very low | 132 Ų | 132 | 162.9 Ų | 162.9 | 69% | 0.691 | 83% | 0.833 | S | S | * | * | 66.1 | 104.8 | 125.6 | -83.2 | 90.2 | 0 | 0 | 0 | 118.9 | R6 | L4-R6 PolarHBondContact O-N 2.81Š| |||
| 5 | R | 50.8 | Low | 43.5 | Very low | 246 Ų | 246 | 160.9 Ų | 160.9 | 93% | 0.928 | 83% | 0.825 | S | S | * | * | trans | -37.1 | 123.9 | 139.9 | -61.6 | 177.8 | 176.6 | -156 | -2.8 | 110.9 | ||||
| 6 | R | 53.6 | Low | 43.6 | Very low | 219 Ų | 219 | 159 Ų | 159 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | -122.7 | 108.1 | 161.3 | -71.1 | -175.3 | -177.9 | 173.2 | 0.2 | 106.5 | L4 | L4-R6 PolarHBondContact O-N 2.81Š| ||
| 7 | F | 41.5 | Very low | 43.8 | Very low | 182 Ų | 182 | 160.4 Ų | 160.4 | 80% | 0.798 | 83% | 0.825 | S | S | * | * | 77.3 | 104.2 | 101.8 | -79.8 | -72.6 | 0 | 0 | 0 | 113.6 | |||||
| 8 | L | 52.2 | Low | 44 | Very low | 159 Ų | 159 | 164.7 Ų | 164.7 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | 4.7 | 123.7 | 141 | -64.4 | 158.3 | 0 | 0 | 0 | 116.4 | ||||
| 9 | S | 38.3 | Very low | 43.7 | Very low | 132 Ų | 132 | 160.9 Ų | 160.9 | 92% | 0.923 | 83% | 0.825 | S | S | * | * | trans | 178.8 | 136.3 | 134.7 | -79.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 10 | G | 43.8 | Very low | 43.5 | Very low | 64 Ų | 64 | 160.4 Ų | 160.4 | 66% | 0.66 | 82% | 0.824 | S | S | * | * | trans | 115.8 | 79.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 11 | I | 46.4 | Very low | 43.8 | Very low | 157 Ų | 157 | 159.8 Ų | 159.8 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | 58.3 | 90.6 | 81.7 | -54.9 | 176.7 | 0 | 0 | 0 | 109.8 | |||||
| 12 | I | 44.7 | Very low | 44.1 | Very low | 138 Ų | 138 | 159.5 Ų | 159.5 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | 86.7 | 116.9 | 91.7 | -68.1 | -111.7 | 0 | 0 | 0 | 111.9 | |||||
| 13 | Y | 44.3 | Very low | 44.7 | Very low | 226 Ų | 226 | 162 Ų | 162 | 89% | 0.886 | 81% | 0.809 | S | S | * | * | trans | 85.5 | 107.6 | 156.9 | -81.2 | -119.9 | 0 | 0 | 0 | 119.5 | ||||
| 14 | G | 36.6 | Very low | 44.8 | Very low | 72 Ų | 72 | 160 Ų | 160 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | -175.5 | 97.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 15 | N | 41.3 | Very low | 45 | Very low | 134 Ų | 134 | 162.7 Ų | 162.7 | 72% | 0.717 | 82% | 0.816 | S | S | * | * | trans | 71.6 | 123.1 | 159.1 | -70.8 | -11.7 | 0 | 0 | 0 | 121.8 | ||||
| 16 | P | 44.8 | Very low | 44.7 | Very low | 130 Ų | 130 | 158.9 Ų | 158.9 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | trans | -118.3 | 79.7 | 141.7 | 36.1 | -20 | 0 | 0 | 0 | 109.1 | R18 | P16-R18 PolarHBondContact O-N 2.72Š| ||
| 17 | F | 47.6 | Very low | 44.4 | Very low | 183 Ų | 183 | 154.8 Ų | 154.8 | 80% | 0.803 | 80% | 0.802 | S | S | * | * | trans | -92.1 | 85.6 | 163.4 | -87.3 | -78.3 | 0 | 0 | 0 | 108.4 | ||||
| 18 | R | 47.1 | Very low | 44.7 | Very low | 238 Ų | 238 | 152.1 Ų | 152.1 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -163.6 | 131.9 | 153.1 | -87.5 | -137.3 | 166.6 | 176.2 | -4.9 | 111.1 | P16 | P16-R18 PolarHBondContact O-N 2.72Š| ||
| 19 | A | 38.3 | Very low | 44.4 | Very low | 92 Ų | 92 | 152 Ų | 152 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | 72.1 | 129.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 20 | D | 40.3 | Very low | 44.8 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | cis | -150.6 | 148.8 | 37.9 | -100.3 | -58.5 | 0 | 0 | 0 | 112.2 | R22 | D20-R22 PolarHBondContact O-N 3.09Š| ||
| 21 | D | 48.7 | Very low | 44.8 | Very low | 148 Ų | 148 | 151.6 Ų | 151.6 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -46.4 | 120.3 | 160.6 | -68.9 | -66.6 | 0 | 0 | 0 | 111.8 | ||||
| 22 | R | 47.4 | Very low | 45 | Very low | 240 Ų | 240 | 149.2 Ų | 149.2 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | trans | 163.8 | 76.7 | 151.7 | -91.7 | 160.4 | -177.1 | -163.1 | 2.8 | 111.9 | D20 | D20-R22 PolarHBondContact O-N 3.09Š| ||
| 23 | T | 44.4 | Very low | 45.1 | Very low | 127 Ų | 127 | 150.5 Ų | 150.5 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | -155.3 | 67.9 | 159 | 44.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 24 | F | 44.6 | Very low | 45.4 | Very low | 190 Ų | 190 | 145.5 Ų | 145.5 | 83% | 0.833 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -137.4 | 36.8 | 167 | -131.6 | -88.9 | 0 | 0 | 0 | 111.5 | ||
| 25 | E | 47.8 | Very low | 45.9 | Very low | 189 Ų | 189 | 147.1 Ų | 147.1 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -138.2 | 39.7 | 172.9 | -94.7 | -169 | 148.9 | 0 | 0 | 110.7 | ||
| 26 | E | 45.4 | Very low | 46.3 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -135.9 | 47 | 175.2 | -156 | 178.5 | 170.5 | 0 | 0 | 110.8 | ||||
| 27 | L | 45.9 | Very low | 46.6 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -129.2 | 13.2 | 176.2 | -90.9 | 158 | 0 | 0 | 0 | 112.9 | ||
| 28 | T | 49.1 | Very low | 46.8 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -120.4 | 5.4 | -178.7 | 48.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 29 | Q | 45.4 | Very low | 46.9 | Very low | 156 Ų | 156 | 132 Ų | 132 | 73% | 0.729 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -117.9 | 6.9 | 177.5 | -91.5 | 173.7 | 2.6 | 0 | 0 | 114.4 | ||
| 30 | S | 46.3 | Very low | 47.2 | Very low | 58 Ų | 58 | 132 Ų | 132 | 41% | 0.406 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -79.5 | -23.1 | 174.9 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | M34 | S30-M34 WeakPolarHBondContact O-CG 3.42Å; S30-M34 PolarHBondContact O-N 3.28Å |
| 31 | D | 44.9 | Very low | 47.5 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 69% | 0.69 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -76.8 | -26.3 | -173.2 | -68.3 | -14 | 0 | 0 | 0 | 112.7 | ||
| 32 | T | 49.8 | Very low | 47.1 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 66% | 0.656 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -83.7 | -25.1 | 176.6 | 41.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 33 | Y | 47.8 | Very low | 47 | Very low | 166 Ų | 166 | 130 Ų | 130 | 65% | 0.651 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -80.5 | -26.9 | 178.5 | -171.1 | -100.2 | 0 | 0 | 0 | 112.4 | M37 | Y33-M37 PolarHBondContact O-N 3.26Å |
| 34 | M | 50.1 | Low | 47 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 59% | 0.591 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76.2 | -30.1 | 176.1 | -68.1 | -66 | -174.3 | 0 | 0 | 112.6 | S30 V38 | S30-M34 WeakPolarHBondContact O-CG 3.42Å; S30-M34 PolarHBondContact O-N 3.28Å; M34-V38 VanDerWaalsContact O-CG2 3.26Å; M34-V38 WeakPolarHBondContact O-CG2 3.42Å; M34-V38 PolarHBondContact O-N 2.99Å |
| 35 | D | 47.8 | Very low | 46.9 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 57% | 0.572 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.9 | -44.4 | 176.1 | -161.4 | 58.9 | 0 | 0 | 0 | 110.8 | M37 V38 T39 | D35-M37 VanDerWaalsContact C-N 3.31Å; D35-M37 PolarHBondContact O-N 3.33Å; D35-V38 PolarHBondContact O-N 3.24Å; D35-V38 VanDerWaalsContact O-N 3.1Å; D35-T39 PolarHBondContact O-N 2.78Å; D35-T39 PolarHBondContact O-OG1 2.65Å |
| 36 | D | 48.4 | Very low | 46.6 | Very low | 96 Ų | 96 | 119.3 Ų | 119.3 | 51% | 0.513 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -60.7 | -37.7 | 178.9 | -153.2 | 22.9 | 0 | 0 | 0 | 112.4 | T39 D40 | D36-T39 WeakPolarHBondContact CA-OG1 3.34Å; D36-T39 PolarHBondContact O-OG1 3.07Å; D36-D40 VanDerWaalsContact O-CB 3.29Å; D36-D40 WeakPolarHBondContact O-CB 3.42Å; D36-D40 PolarHBondContact O-N 3.05Å |
| 37 | M | 51.6 | Low | 46.3 | Very low | 125 Ų | 125 | 115.5 Ų | 115.5 | 62% | 0.616 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.3 | -30.9 | 177.6 | -152.2 | -174.9 | -170.3 | 0 | 0 | 112.8 | Y33 D35 Y41 | Y33-M37 PolarHBondContact O-N 3.26Å; D35-M37 VanDerWaalsContact C-N 3.31Å; D35-M37 PolarHBondContact O-N 3.33Å; M37-Y41 WeakPolarHBondContact O-CB 3.36Å; M37-Y41 PolarHBondContact O-N 3.38Å |
| 38 | V | 51.1 | Low | 46 | Very low | 81 Ų | 81 | 115.3 Ų | 115.3 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -80.1 | -38.2 | 177.4 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | M34 D35 Y41 Y42 | M34-V38 VanDerWaalsContact O-CG2 3.26Å; M34-V38 WeakPolarHBondContact O-CG2 3.42Å; M34-V38 PolarHBondContact O-N 2.99Å; D35-V38 PolarHBondContact O-N 3.24Å; D35-V38 VanDerWaalsContact O-N 3.1Å; V38-Y41 PolarHBondContact O-N 3.26Å; V38-Y42 HydrophobicContact CG1-CD2 4.18Å; V38-Y42 WeakPolarHBondContact O-CB 3.19Å; V38-Y42 PolarHBondContact O-N 2.87Å |
| 39 | T | 50.6 | Low | 45.7 | Very low | 64 Ų | 64 | 114.1 Ų | 114.1 | 39% | 0.393 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.6 | -44.4 | 170.3 | 45.6 | 0 | 0 | 0 | 0 | 110.4 | D35 D36 Y41 Y42 E43 | D35-T39 PolarHBondContact O-N 2.78Å; D35-T39 PolarHBondContact O-OG1 2.65Å; D36-T39 WeakPolarHBondContact CA-OG1 3.34Å; D36-T39 PolarHBondContact O-OG1 3.07Å; T39-Y41 VanDerWaalsContact C-N 3.29Å; T39-Y41 PolarHBondContact O-N 2.9Å; T39-Y42 PolarHBondContact O-N 2.94Å; T39-E43 VanDerWaalsContact O-CB 3.29Å; T39-E43 WeakPolarHBondContact O-CB 3.34Å; T39-E43 PolarHBondContact O-N 2.95Å |
| 40 | D | 43.7 | Very low | 45.6 | Very low | 94 Ų | 94 | 109.4 Ų | 109.4 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.6 | -35.4 | 173.3 | -88.2 | -12.3 | 0 | 0 | 0 | 112.4 | D36 K44 | D36-D40 VanDerWaalsContact O-CB 3.29Å; D36-D40 WeakPolarHBondContact O-CB 3.42Å; D36-D40 PolarHBondContact O-N 3.05Å; D40-K44 WeakPolarHBondContact O-CB 3.19Å; D40-K44 PolarHBondContact O-N 3.17Å |
| 41 | Y | 46.1 | Very low | 45.4 | Very low | 180 Ų | 180 | 111.4 Ų | 111.4 | 71% | 0.706 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.7 | -39.4 | 176.7 | -153.2 | -89.9 | 0 | 0 | 0 | 112.2 | M37 V38 T39 A45 | M37-Y41 WeakPolarHBondContact O-CB 3.36Å; M37-Y41 PolarHBondContact O-N 3.38Å; V38-Y41 PolarHBondContact O-N 3.26Å; T39-Y41 VanDerWaalsContact C-N 3.29Å; T39-Y41 PolarHBondContact O-N 2.9Å; Y41-A45 VanDerWaalsContact O-CB 3.3Å; Y41-A45 WeakPolarHBondContact O-CB 3.3Å; Y41-A45 PolarHBondContact O-N 3.27Å |
| 42 | Y | 41.8 | Very low | 45.1 | Very low | 177 Ų | 177 | 107.9 Ų | 107.9 | 69% | 0.694 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -73.3 | -38.7 | 176.3 | -101.6 | -86.2 | 0 | 0 | 0 | 112.3 | V38 T39 K44 A45 A46 | V38-Y42 HydrophobicContact CG1-CD2 4.18Å; V38-Y42 WeakPolarHBondContact O-CB 3.19Å; V38-Y42 PolarHBondContact O-N 2.87Å; T39-Y42 PolarHBondContact O-N 2.94Å; Y42-K44 VanDerWaalsContact C-N 3.34Å; Y42-A45 PolarHBondContact O-N 3.32Å; Y42-A46 WeakPolarHBondContact O-CB 3.16Å; Y42-A46 PolarHBondContact O-N 3.4Å |
| 43 | E | 44.3 | Very low | 44.7 | Very low | 139 Ų | 139 | 106.5 Ų | 106.5 | 65% | 0.65 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.7 | -32.4 | 174.3 | -132.1 | -178.1 | -175.1 | 0 | 0 | 110.7 | T39 A46 S47 | T39-E43 VanDerWaalsContact O-CB 3.29Å; T39-E43 WeakPolarHBondContact O-CB 3.34Å; T39-E43 PolarHBondContact O-N 2.95Å; E43-A46 CarbonylContact O-C 3.55Å; E43-A46 PolarHBondContact O-N 3.25Å; E43-S47 WeakPolarHBondContact O-CA 3.2Å; E43-S47 WeakPolarHBondContact O-CB 3.34Å; E43-S47 PolarHBondContact O-N 3.41Å |
| 44 | K | 43.8 | Very low | 44.4 | Very low | 157 Ų | 157 | 102.7 Ų | 102.7 | 68% | 0.683 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -72.4 | -31.6 | 171.7 | -164.7 | 170.1 | -166.1 | 169.5 | 0 | 112.8 | D40 Y42 S47 M48 | D40-K44 WeakPolarHBondContact O-CB 3.19Å; D40-K44 PolarHBondContact O-N 3.17Å; Y42-K44 VanDerWaalsContact C-N 3.34Å; K44-S47 CarbonylContact O-C 3.55Å; K44-S47 PolarHBondContact O-N 2.88Å; K44-M48 VanDerWaalsContact O-CG 3.27Å; K44-M48 WeakPolarHBondContact O-CG 3.36Å; K44-M48 PolarHBondContact O-N 3.05Å |
| 45 | A | 43.3 | Very low | 43.9 | Very low | 61 Ų | 61 | 105.9 Ų | 105.9 | 50% | 0.504 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -73.5 | -32.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y41 Y42 M48 | Y41-A45 VanDerWaalsContact O-CB 3.3Å; Y41-A45 WeakPolarHBondContact O-CB 3.3Å; Y41-A45 PolarHBondContact O-N 3.27Å; Y42-A45 PolarHBondContact O-N 3.32Å; A45-M48 WeakPolarHBondContact O-CB 3.47Å; A45-M48 PolarHBondContact O-N 2.94Å |
| 46 | A | 41.9 | Very low | 43.6 | Very low | 64 Ų | 64 | 103.7 Ų | 103.7 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -75.3 | -28.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y42 E43 M48 T49 | Y42-A46 WeakPolarHBondContact O-CB 3.16Å; Y42-A46 PolarHBondContact O-N 3.4Å; E43-A46 CarbonylContact O-C 3.55Å; E43-A46 PolarHBondContact O-N 3.25Å; A46-M48 VanDerWaalsContact C-N 3.29Å; A46-T49 VanDerWaalsContact O-CG2 3.26Å; A46-T49 WeakPolarHBondContact O-CG2 2.94Å; A46-T49 PolarHBondContact O-N 3.25Å; A46-T49 PolarHBondContact O-OG1 2.74Å |
| 47 | S | 37.8 | Very low | 43.2 | Very low | 85 Ų | 85 | 109.3 Ų | 109.3 | 59% | 0.594 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -78 | -12.4 | 172.9 | -176.7 | 0 | 0 | 0 | 0 | 112.8 | E43 K44 T49 | E43-S47 WeakPolarHBondContact O-CA 3.2Å; E43-S47 WeakPolarHBondContact O-CB 3.34Å; E43-S47 PolarHBondContact O-N 3.41Å; K44-S47 CarbonylContact O-C 3.55Å; K44-S47 PolarHBondContact O-N 2.88Å; S47-T49 PolarHBondContact O-N 2.6Å; S47-T49 VanDerWaalsContact O-N 3.09Å |
| 48 | M | 40.9 | Very low | 42.6 | Very low | 130 Ų | 130 | 110.7 Ų | 110.7 | 64% | 0.64 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 19.2 | 161.2 | -72.9 | -85.3 | -68.1 | 0 | 0 | 112.3 | K44 A45 A46 D50 V51 | K44-M48 VanDerWaalsContact O-CG 3.27Å; K44-M48 WeakPolarHBondContact O-CG 3.36Å; K44-M48 PolarHBondContact O-N 3.05Å; A45-M48 WeakPolarHBondContact O-CB 3.47Å; A45-M48 PolarHBondContact O-N 2.94Å; A46-M48 VanDerWaalsContact C-N 3.29Å; M48-D50 PolarHBondContact O-N 2.81Å; M48-V51 HydrophobicContact SD-CG2 3.82Å |
| 49 | T | 43.3 | Very low | 42.2 | Very low | 101 Ų | 101 | 112.9 Ų | 112.9 | 62% | 0.62 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -56.4 | 96.1 | 149.5 | 44.8 | 0 | 0 | 0 | 0 | 108.6 | A46 S47 | A46-T49 VanDerWaalsContact O-CG2 3.26Å; A46-T49 WeakPolarHBondContact O-CG2 2.94Å; A46-T49 PolarHBondContact O-N 3.25Å; A46-T49 PolarHBondContact O-OG1 2.74Å; S47-T49 PolarHBondContact O-N 2.6Å; S47-T49 VanDerWaalsContact O-N 3.09Å |
| 50 | D | 42.5 | Very low | 41.6 | Very low | 56 Ų | 56 | 113.9 Ų | 113.9 | 30% | 0.299 | 60% | 0.603 | S | S | . | * | trans | 54.9 | 86.4 | 167 | -79.7 | -72.9 | 0 | 0 | 0 | 115 | M48 S52 T53 R63 | M48-D50 PolarHBondContact O-N 2.81Å; D50-S52 PolarHBondContact O-N 3.45Å; D50-S52 WeakPolarHBondContact OD1-CB 3.43Å; D50-S52 PolarHBondContact OD1-OG 3.36Å; D50-T53 HydrophobicContact CB-CG2 3.27Å; D50-T53 PolarHBondContact O-N 2.59Å; D50-T53 PolarHBondContact O-OG1 3.43Å; D50-R63 IonicContact OD1-CZ 3.65Å; D50-R63 IonicContact OD1-NE 3.87Å; D50-R63 IonicContact OD1-NH2 2.74Å; D50-R63 PolarHBondContact OD1-NH2 2.85Å; D50-R63 IonicContact OD2-CZ 3.67Å; D50-R63 IonicContact OD2-NH2 2.6Å; D50-R63 PolarHBondContact OD2-NH2 2.88Å | ||
| 51 | V | 41.2 | Very low | 41.1 | Very low | 100 Ų | 100 | 113.9 Ų | 113.9 | 61% | 0.606 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -56.4 | -14.2 | 151.3 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | M48 | M48-V51 HydrophobicContact SD-CG2 3.82Å |
| 52 | S | 39 | Very low | 40.7 | Very low | 55 Ų | 55 | 110.1 Ų | 110.1 | 39% | 0.385 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.7 | -32.3 | 165.2 | 0.7 | 0 | 0 | 0 | 0 | 114.4 | D50 Y55 L56 | D50-S52 PolarHBondContact O-N 3.45Å; D50-S52 WeakPolarHBondContact OD1-CB 3.43Å; D50-S52 PolarHBondContact OD1-OG 3.36Å; S52-Y55 PolarHBondContact O-N 2.87Å; S52-L56 WeakPolarHBondContact O-CB 3.26Å; S52-L56 WeakPolarHBondContact O-CD1 3.49Å; S52-L56 WeakPolarHBondContact O-CG 3.18Å; S52-L56 PolarHBondContact O-N 3.46Å; S52-L56 VanDerWaalsContact O-N 3.08Å |
| 53 | T | 41 | Very low | 40.5 | Very low | 79 Ų | 79 | 109.4 Ų | 109.4 | 49% | 0.485 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -72.9 | -33.5 | -169.2 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | D50 L56 | D50-T53 HydrophobicContact CB-CG2 3.27Å; D50-T53 PolarHBondContact O-N 2.59Å; D50-T53 PolarHBondContact O-OG1 3.43Å; T53-L56 PolarHBondContact O-N 3.08Å |
| 54 | A | 41.1 | Very low | 40.3 | Very low | 85 Ų | 85 | 105.7 Ų | 105.7 | 70% | 0.702 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -72.1 | -32.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L56 | A54-L56 VanDerWaalsContact C-N 3.35Å |
| 55 | Y | 41.2 | Very low | 40 | Very low | 188 Ų | 188 | 102.8 Ų | 102.8 | 74% | 0.737 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -86.6 | -3.1 | 174.5 | -81.7 | -86 | 0 | 0 | 0 | 113.5 | S52 R57 | S52-Y55 PolarHBondContact O-N 2.87Å; Y55-R57 VanDerWaalsContact C-N 3.31Å; Y55-R57 PolarHBondContact O-N 2.95Å |
| 56 | L | 41.6 | Very low | 40.1 | Very low | 60 Ų | 60 | 103.4 Ų | 103.4 | 31% | 0.314 | 57% | 0.565 | S | S | . | * | trans | -91.5 | 22.6 | -179.1 | -85.8 | 168 | 0 | 0 | 0 | 113.3 | S52 T53 A54 H61 | S52-L56 WeakPolarHBondContact O-CB 3.26Å; S52-L56 WeakPolarHBondContact O-CD1 3.49Å; S52-L56 WeakPolarHBondContact O-CG 3.18Å; S52-L56 PolarHBondContact O-N 3.46Å; S52-L56 VanDerWaalsContact O-N 3.08Å; T53-L56 PolarHBondContact O-N 3.08Å; A54-L56 VanDerWaalsContact C-N 3.35Å; L56-H61 HydrophobicContact CD2-CB 3.66Å | ||
| 57 | R | 40.2 | Very low | 40.1 | Very low | 215 Ų | 215 | 107.1 Ų | 107.1 | 81% | 0.811 | 58% | 0.575 | S | S | * | * | trans | -79 | 133 | 158 | -72.2 | -171 | 172.4 | -178.8 | -1 | 107.7 | Y55 | Y55-R57 VanDerWaalsContact C-N 3.31Å; Y55-R57 PolarHBondContact O-N 2.95Å | ||
| 58 | E | 38.9 | Very low | 40.1 | Very low | 153 Ų | 153 | 110.3 Ų | 110.3 | 72% | 0.715 | 58% | 0.578 | S | S | * | * | S | Bend | trans | 68.4 | 82.8 | -170.2 | -91.1 | 78.6 | -143.8 | 0 | 0 | 116 | S60 | E58-S60 WeakPolarHBondContact O-CB 3.34Å; E58-S60 PolarHBondContact O-N 2.91Å; E58-S60 PolarHBondContact O-OG 2.84Å |
| 59 | S | 41.1 | Very low | 40.3 | Very low | 127 Ų | 127 | 113.1 Ų | 113.1 | 89% | 0.888 | 59% | 0.589 | S | S | * | * | S | Bend | 43.4 | 10.7 | 127.8 | 65 | 0 | 0 | 0 | 0 | 122.1 | |||
| 60 | S | 37.8 | Very low | 40.3 | Very low | 85 Ų | 85 | 115.7 Ų | 115.7 | 59% | 0.594 | 60% | 0.599 | S | S | * | * | trans | -119.3 | -8.8 | -167.5 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | E58 | E58-S60 WeakPolarHBondContact O-CB 3.34Å; E58-S60 PolarHBondContact O-N 2.91Å; E58-S60 PolarHBondContact O-OG 2.84Å | ||
| 61 | H | 35.1 | Very low | 40.4 | Very low | 94 Ų | 94 | 115.2 Ų | 115.2 | 44% | 0.435 | 60% | 0.596 | S | S | . | * | trans | -110.8 | 101.3 | -178.2 | -63.6 | -62.9 | 0 | 0 | 0 | 111.9 | L56 R63 | L56-H61 HydrophobicContact CD2-CB 3.66Å; H61-R63 PolarHBondContact O-N 3.32Å | ||
| 62 | T | 36.7 | Very low | 40.3 | Very low | 102 Ų | 102 | 115.7 Ų | 115.7 | 63% | 0.626 | 60% | 0.601 | S | S | * | * | trans | -69.7 | 118.7 | 167.2 | -37.1 | 0 | 0 | 0 | 0 | 109.1 | V64 | T62-V64 PolarHBondContact O-N 3.31Š| ||
| 63 | R | 37.6 | Very low | 40.6 | Very low | 161 Ų | 161 | 121.5 Ų | 121.5 | 61% | 0.608 | 62% | 0.62 | S | S | * | * | trans | -64.8 | 114.2 | 165.2 | -84 | -176 | 171.1 | 166.8 | 1 | 108.4 | D50 H61 | D50-R63 IonicContact OD1-CZ 3.65Å; D50-R63 IonicContact OD1-NE 3.87Å; D50-R63 IonicContact OD1-NH2 2.74Å; D50-R63 PolarHBondContact OD1-NH2 2.85Å; D50-R63 IonicContact OD2-CZ 3.67Å; D50-R63 IonicContact OD2-NH2 2.6Å; D50-R63 PolarHBondContact OD2-NH2 2.88Å; H61-R63 PolarHBondContact O-N 3.32Å | ||
| 64 | V | 39.4 | Very low | 40.6 | Very low | 61 Ų | 61 | 119.1 Ų | 119.1 | 37% | 0.37 | 61% | 0.611 | S | S | . | * | trans | -104.6 | 102.9 | 177.2 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | T62 L66 I71 | T62-V64 PolarHBondContact O-N 3.31Å; V64-L66 PolarHBondContact O-N 2.76Å; V64-L66 VanDerWaalsContact O-N 3.17Å; V64-I71 HydrophobicContact CG1-CD1 3.26Å; V64-I71 HydrophobicContact CG1-CG1 4.17Å | ||
| 65 | N | 38.8 | Very low | 40.4 | Very low | 96 Ų | 96 | 121.4 Ų | 121.4 | 51% | 0.513 | 62% | 0.619 | S | S | . | * | trans | -70.7 | 106.4 | 173.4 | -175.6 | -4.2 | 0 | 0 | 0 | 109 | L67 K68 I71 | N65-L67 PolarHBondContact O-N 3.27Å; N65-L67 WeakPolarHBondContact OD1-CB 3.46Å; N65-L67 PolarHBondContact OD1-N 3.09Å; N65-K68 WeakPolarHBondContact O-CB 3.39Å; N65-K68 PolarHBondContact O-N 3.01Å; N65-I71 VanDerWaalsContact O-CD1 3.3Å; N65-I71 WeakPolarHBondContact O-CD1 3.43Å | ||
| 66 | L | 45.3 | Very low | 40.3 | Very low | 74 Ų | 74 | 116.3 Ų | 116.3 | 39% | 0.387 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.5 | -11.2 | 178.6 | -67.1 | 166.1 | 0 | 0 | 0 | 113.2 | V64 I71 V108 | V64-L66 PolarHBondContact O-N 2.76Å; V64-L66 VanDerWaalsContact O-N 3.17Å; L66-I71 HydrophobicContact CD2-CD1 4.48Å; L66-V108 HydrophobicContact CD1-CG2 3.58Å |
| 67 | L | 41.4 | Very low | 40 | Very low | 142 Ų | 142 | 116.7 Ų | 116.7 | 74% | 0.743 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -10.4 | 168.9 | -60.4 | 162.3 | 0 | 0 | 0 | 112.1 | N65 H69 | N65-L67 PolarHBondContact O-N 3.27Å; N65-L67 WeakPolarHBondContact OD1-CB 3.46Å; N65-L67 PolarHBondContact OD1-N 3.09Å; L67-H69 PolarHBondContact O-N 2.76Å |
| 68 | K | 38.8 | Very low | 39.8 | Very low | 153 Ų | 153 | 113.2 Ų | 113.2 | 67% | 0.665 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -75.4 | 113.3 | 173.4 | -149.6 | 175.4 | -173.2 | -179 | 0 | 108.2 | N65 N70 | N65-K68 WeakPolarHBondContact O-CB 3.39Å; N65-K68 PolarHBondContact O-N 3.01Å; K68-N70 PolarHBondContact O-N 2.62Å |
| 69 | H | 45.2 | Very low | 39.5 | Very low | 188 Ų | 188 | 110.3 Ų | 110.3 | 87% | 0.87 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -2.3 | -169.3 | -65.7 | -79.7 | 0 | 0 | 0 | 117.5 | L67 | L67-H69 PolarHBondContact O-N 2.76Š|
| 70 | N | 42.2 | Very low | 39 | Very low | 155 Ų | 155 | 107.3 Ų | 107.3 | 83% | 0.829 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 12.4 | -172.3 | -90.2 | 9.9 | 0 | 0 | 0 | 115.2 | K68 | K68-N70 PolarHBondContact O-N 2.62Š|
| 71 | I | 43.8 | Very low | 39.1 | Very low | 47 Ų | 47 | 112.1 Ų | 112.1 | 24% | 0.241 | 62% | 0.618 | C | S | . | * | S | Bend | trans | -94.9 | 118.6 | 174.3 | -60 | 151.7 | 0 | 0 | 0 | 108.3 | V64 N65 L66 K73 | V64-I71 HydrophobicContact CG1-CD1 3.26Å; V64-I71 HydrophobicContact CG1-CG1 4.17Å; N65-I71 VanDerWaalsContact O-CD1 3.3Å; N65-I71 WeakPolarHBondContact O-CD1 3.43Å; L66-I71 HydrophobicContact CD2-CD1 4.48Å; I71-K73 PolarHBondContact O-N 3.47Å |
| 72 | P | 39.6 | Very low | 39.3 | Very low | 109 Ų | 109 | 111.3 Ų | 111.3 | 71% | 0.708 | 64% | 0.635 | S | S | * | * | trans | -62.6 | 115.2 | 176.8 | 25.5 | -31.9 | 0 | 0 | 0 | 108.7 | G74 | P72-G74 PolarHBondContact O-N 3.33Š| ||
| 73 | K | 46.8 | Very low | 39.5 | Very low | 177 Ų | 177 | 112.7 Ų | 112.7 | 77% | 0.77 | 65% | 0.649 | S | S | * | * | trans | -72.9 | 98.9 | 175.3 | -60.2 | 178.5 | -176.1 | -179 | 0 | 107 | I71 | I71-K73 PolarHBondContact O-N 3.47Š| ||
| 74 | G | 39.9 | Very low | 39.6 | Very low | 30 Ų | 30 | 111.9 Ų | 111.9 | 31% | 0.309 | 65% | 0.652 | S | S | . | * | trans | -65.7 | 172.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P72 C76 | P72-G74 PolarHBondContact O-N 3.33Å; G74-C76 PolarHBondContact O-N 2.74Å; G74-C76 PolarHBondContact O-SG 2.96Å; G74-C76 VanDerWaalsContact O-SG 3.41Å | ||
| 75 | P | 37.8 | Very low | 39.7 | Very low | 132 Ų | 132 | 121 Ų | 121 | 86% | 0.857 | 68% | 0.68 | S | S | * | * | trans | -61.5 | 101.8 | 176.5 | 25.8 | -33 | 0 | 0 | 0 | 110.2 | A77 | P75-A77 PolarHBondContact O-N 3Š| ||
| 76 | C | 39.3 | Very low | 39.8 | Very low | 81 Ų | 81 | 125 Ų | 125 | 55% | 0.547 | 69% | 0.688 | S | S | . | * | trans | -75.6 | 105.4 | 172.8 | -55.5 | 0 | 0 | 0 | 0 | 108.3 | G74 L78 | G74-C76 PolarHBondContact O-N 2.74Å; G74-C76 PolarHBondContact O-SG 2.96Å; G74-C76 VanDerWaalsContact O-SG 3.41Å; C76-L78 PolarHBondContact O-N 3.49Å | ||
| 77 | A | 33.4 | Very low | 39.7 | Very low | 68 Ų | 68 | 129.2 Ų | 129.2 | 56% | 0.562 | 71% | 0.706 | S | S | * | * | trans | -74.2 | 113.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | P75 C79 | P75-A77 PolarHBondContact O-N 3Å; A77-C79 VanDerWaalsContact C-N 3.29Å; A77-C79 PolarHBondContact O-N 3.45Å | ||
| 78 | L | 37.6 | Very low | 39.7 | Very low | 143 Ų | 143 | 125 Ų | 125 | 75% | 0.749 | 69% | 0.686 | S | S | * | * | trans | -58.2 | 93.3 | 166.8 | -84.1 | 156.1 | 0 | 0 | 0 | 108.3 | C76 V89 | C76-L78 PolarHBondContact O-N 3.49Å; L78-V89 HydrophobicContact CD2-CB 4.38Å; L78-V89 HydrophobicContact CD2-CG1 3.7Å; L78-V89 HydrophobicContact CD2-CG2 3.76Å | ||
| 79 | C | 32.8 | Very low | 39.9 | Very low | 91 Ų | 91 | 120.4 Ų | 120.4 | 62% | 0.615 | 67% | 0.67 | S | S | * | * | trans | -99.5 | 104.2 | 175.5 | -164.7 | 0 | 0 | 0 | 0 | 109.4 | A77 | A77-C79 VanDerWaalsContact C-N 3.29Å; A77-C79 PolarHBondContact O-N 3.45Å | ||
| 80 | G | 29.8 | Very low | 40 | Very low | 64 Ų | 64 | 115.6 Ų | 115.6 | 66% | 0.66 | 65% | 0.645 | S | S | * | * | trans | 120.3 | 134.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 81 | M | 40.3 | Very low | 40.2 | Very low | 186 Ų | 186 | 108.9 Ų | 108.9 | 92% | 0.916 | 61% | 0.612 | S | S | * | * | cis | -177.9 | 118.9 | -13.7 | -126 | 174.8 | 173.8 | 0 | 0 | 105.4 | ||||
| 82 | G | 39.3 | Very low | 40.1 | Very low | 77 Ų | 77 | 108.5 Ų | 108.5 | 79% | 0.794 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 73.8 | -179.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q84 | G82-Q84 PolarHBondContact O-N 2.71Š|
| 83 | S | 40.1 | Very low | 40.5 | Very low | 131 Ų | 131 | 105.6 Ų | 105.6 | 92% | 0.916 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -75.8 | 14.5 | -165.9 | 89.3 | 0 | 0 | 0 | 0 | 116.4 | ||
| 84 | Q | 40.9 | Very low | 40.2 | Very low | 144 Ų | 144 | 103 Ų | 103 | 67% | 0.673 | 58% | 0.583 | S | S | * | * | trans | -96.9 | 120.8 | 176.1 | -85 | -175.2 | 2 | 0 | 0 | 110.4 | G82 R86 | G82-Q84 PolarHBondContact O-N 2.71Å; Q84-R86 PolarHBondContact O-N 3.4Å | ||
| 85 | R | 40.2 | Very low | 40.4 | Very low | 253 Ų | 253 | 102.8 Ų | 102.8 | 96% | 0.955 | 58% | 0.576 | S | S | * | * | trans | -61.7 | 119.3 | 168.3 | -77.3 | 179.3 | 166.5 | 166.3 | -4.6 | 108.4 | ||||
| 86 | R | 42.3 | Very low | 40.6 | Very low | 179 Ų | 179 | 101 Ų | 101 | 68% | 0.675 | 57% | 0.566 | S | S | * | * | trans | -121.9 | 144.3 | 169 | -70 | -169.6 | 177.1 | -157.7 | -0.1 | 109.9 | Q84 T88 | Q84-R86 PolarHBondContact O-N 3.4Å; R86-T88 PolarHBondContact O-N 2.83Å | ||
| 87 | E | 41.4 | Very low | 40.7 | Very low | 163 Ų | 163 | 101.3 Ų | 101.3 | 76% | 0.762 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -84.3 | 16.9 | -178.5 | -60.2 | 173.7 | 175.8 | 0 | 0 | 112.7 | C110 | E87-C110 VanDerWaalsContact C-SG 3.53Å; E87-C110 WeakPolarHBondContact O-CA 3.26Å; E87-C110 WeakPolarHBondContact O-CB 3.4Å; E87-C110 PolarHBondContact O-N 2.93Å |
| 88 | T | 41.7 | Very low | 41.4 | Very low | 54 Ų | 54 | 102 Ų | 102 | 33% | 0.331 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.9 | 118.2 | -176.1 | 59.1 | 0 | 0 | 0 | 0 | 110.3 | R86 | R86-T88 PolarHBondContact O-N 2.83Å |
| 89 | V | 44.3 | Very low | 42.1 | Very low | 56 Ų | 56 | 98.7 Ų | 98.7 | 34% | 0.339 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.9 | 131 | 175.5 | 164.5 | 0 | 0 | 0 | 0 | 109.3 | L78 V108 C110 | L78-V89 HydrophobicContact CD2-CB 4.38Å; L78-V89 HydrophobicContact CD2-CG1 3.7Å; L78-V89 HydrophobicContact CD2-CG2 3.76Å; V89-V108 PolarHBondContact N-O 3.33Å; V89-V108 PolarHBondContact O-N 3.1Å; V89-C110 WeakPolarHBondContact CG2-SG 3.36Å |
| 90 | Y | 45.9 | Very low | 42.1 | Very low | 88 Ų | 88 | 101.3 Ų | 101.3 | 35% | 0.345 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.9 | 116.3 | 174.6 | -60.1 | -87.1 | 0 | 0 | 0 | 109.1 | H106 V107 | Y90-H106 WeakPolarHBondContact CA-O 3.3Å; Y90-V107 HydrophobicContact CD1-CB 4.41Å; Y90-V107 HydrophobicContact CD1-CG1 4.43Å; Y90-V107 HydrophobicContact CD1-CG2 3.84Å; Y90-V107 HydrophobicContact CE1-CB 4.25Å; Y90-V107 HydrophobicContact CE1-CG1 4Å; Y90-V107 HydrophobicContact CE1-CG2 3.54Å |
| 91 | G | 47 | Very low | 42.8 | Very low | 13 Ų | 13 | 105.7 Ų | 105.7 | 13% | 0.134 | 58% | 0.584 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.4 | 132.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | H106 | G91-H106 PolarHBondContact N-O 2.9Å; G91-H106 PolarHBondContact O-N 3.05Å |
| 92 | C | 42.4 | Very low | 43 | Very low | 39 Ų | 39 | 101.6 Ų | 101.6 | 26% | 0.264 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99 | 126.2 | 171.6 | -64.6 | 0 | 0 | 0 | 0 | 109.2 | V103 | C92-V103 HydrophobicContact CB-CG1 4.08Å |
| 93 | L | 46.8 | Very low | 43.3 | Very low | 49 Ų | 49 | 102.8 Ų | 102.8 | 26% | 0.257 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.4 | 123.2 | 169.1 | -170.5 | 70.2 | 0 | 0 | 0 | 108.5 | C95 R104 | L93-C95 VanDerWaalsContact CD2-SG 3.55Å; L93-C95 PolarHBondContact O-N 3.34Å; L93-R104 PolarHBondContact N-O 3.32Å; L93-R104 PolarHBondContact O-N 3.33Å |
| 94 | E | 41 | Very low | 43.7 | Very low | 123 Ų | 123 | 100.2 Ų | 100.2 | 58% | 0.575 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 112.9 | 166.3 | -172.5 | -177.3 | 166.6 | 0 | 0 | 107.4 | K101 | E94-K101 WeakPolarHBondContact OE1-CD 3.48Å; E94-K101 WeakPolarHBondContact OE1-CE 3.27Å; E94-K101 IonicContact OE1-NZ 2.78Å; E94-K101 PolarHBondContact OE1-NZ 3.23Å |
| 95 | C | 45 | Very low | 44 | Very low | 25 Ų | 25 | 98.8 Ų | 98.8 | 17% | 0.169 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 137.1 | 175.2 | -67 | 0 | 0 | 0 | 0 | 108.4 | L93 Y102 | L93-C95 VanDerWaalsContact CD2-SG 3.55Å; L93-C95 PolarHBondContact O-N 3.34Å; C95-Y102 HydrophobicContact CB-CD1 4.42Å; C95-Y102 HydrophobicContact CB-CD2 3.76Å; C95-Y102 HydrophobicContact CB-CE1 3.95Å; C95-Y102 HydrophobicContact CB-CE2 3.21Å; C95-Y102 HydrophobicContact CB-CG 4.33Å; C95-Y102 PolarHBondContact N-O 2.91Å; C95-Y102 WeakPolarHBondContact O-CD1 2.98Å; C95-Y102 PolarHBondContact O-N 3.27Å; C95-Y102 VanDerWaalsContact O-O 3.13Å |
| 96 | S | 40.8 | Very low | 44.7 | Very low | 93 Ų | 93 | 88.4 Ų | 88.4 | 65% | 0.65 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.5 | 168.3 | 64.3 | 0 | 0 | 0 | 0 | 109.3 | Q100 | S96-Q100 WeakPolarHBondContact CA-O 3.29Å |
| 97 | T | 42.8 | Very low | 45 | Very low | 88 Ų | 88 | 84.1 Ų | 84.1 | 54% | 0.54 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 126.9 | 174 | -52.5 | 0 | 0 | 0 | 0 | 107.8 | G99 Q100 Y102 | T97-G99 VanDerWaalsContact C-N 3.29Å; T97-G99 PolarHBondContact O-N 2.74Å; T97-Q100 PolarHBondContact N-O 2.84Å; T97-Q100 VanDerWaalsContact N-O 3.09Å; T97-Q100 PolarHBondContact O-N 3.25Å; T97-Y102 WeakPolarHBondContact OG1-CE1 3.02Å; T97-Y102 PolarHBondContact OG1-OH 3.04Å |
| 98 | G | 46.4 | Very low | 45.3 | Very low | 83 Ų | 83 | 78.4 Ų | 78.4 | 86% | 0.856 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 30.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q100 | G98-Q100 PolarHBondContact O-N 2.9Š|
| 99 | G | 52.7 | Low | 45.3 | Very low | 74 Ų | 74 | 79 Ų | 79 | 76% | 0.763 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | -3.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | T97 | T97-G99 VanDerWaalsContact C-N 3.29Å; T97-G99 PolarHBondContact O-N 2.74Å |
| 100 | Q | 33.8 | Very low | 45 | Very low | 146 Ų | 146 | 79 Ų | 79 | 68% | 0.682 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 133.5 | 172.5 | -63.2 | -63.5 | -30.4 | 0 | 0 | 109.8 | S96 T97 G98 | S96-Q100 WeakPolarHBondContact CA-O 3.29Å; T97-Q100 PolarHBondContact N-O 2.84Å; T97-Q100 VanDerWaalsContact N-O 3.09Å; T97-Q100 PolarHBondContact O-N 3.25Å; G98-Q100 PolarHBondContact O-N 2.9Å |
| 101 | K | 44.2 | Very low | 44.6 | Very low | 155 Ų | 155 | 82.6 Ų | 82.6 | 67% | 0.674 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 127.3 | 176.6 | -69.3 | 176.4 | 165 | -133.2 | 0 | 109.2 | E94 | E94-K101 WeakPolarHBondContact OE1-CD 3.48Å; E94-K101 WeakPolarHBondContact OE1-CE 3.27Å; E94-K101 IonicContact OE1-NZ 2.78Å; E94-K101 PolarHBondContact OE1-NZ 3.23Å |
| 102 | Y | 44.3 | Very low | 44 | Very low | 101 Ų | 101 | 88.7 Ų | 88.7 | 40% | 0.396 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 144.8 | 175.6 | 55.4 | -84.2 | 0 | 0 | 0 | 110.7 | C95 T97 | C95-Y102 HydrophobicContact CB-CD1 4.42Å; C95-Y102 HydrophobicContact CB-CD2 3.76Å; C95-Y102 HydrophobicContact CB-CE1 3.95Å; C95-Y102 HydrophobicContact CB-CE2 3.21Å; C95-Y102 HydrophobicContact CB-CG 4.33Å; C95-Y102 PolarHBondContact N-O 2.91Å; C95-Y102 WeakPolarHBondContact O-CD1 2.98Å; C95-Y102 PolarHBondContact O-N 3.27Å; C95-Y102 VanDerWaalsContact O-O 3.13Å; T97-Y102 WeakPolarHBondContact OG1-CE1 3.02Å; T97-Y102 PolarHBondContact OG1-OH 3.04Å |
| 103 | V | 45.6 | Very low | 43.7 | Very low | 101 Ų | 101 | 93.9 Ų | 93.9 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 114.6 | 176.3 | -179.6 | 0 | 0 | 0 | 0 | 107.6 | C92 | C92-V103 HydrophobicContact CB-CG1 4.08Å |
| 104 | R | 48.7 | Very low | 43.3 | Very low | 77 Ų | 77 | 102.2 Ų | 102.2 | 29% | 0.291 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.7 | 116.9 | 175.2 | -164.5 | 170.1 | -178.1 | -176.1 | -0.7 | 109.2 | L93 H106 | L93-R104 PolarHBondContact N-O 3.32Å; L93-R104 PolarHBondContact O-N 3.33Å; R104-H106 WeakPolarHBondContact CD-NE2 3.22Å; R104-H106 WeakPolarHBondContact CG-NE2 3.29Å |
| 105 | L | 47 | Very low | 42.9 | Very low | 114 Ų | 114 | 104.9 Ų | 104.9 | 60% | 0.597 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.2 | 121 | 171.3 | -78 | 144.1 | 0 | 0 | 0 | 108.8 | ||
| 106 | H | 53.9 | Low | 42.1 | Very low | 36 Ų | 36 | 112.1 Ų | 112.1 | 17% | 0.167 | 60% | 0.597 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 122 | 172.7 | -74.3 | -89.3 | 0 | 0 | 0 | 109 | Y90 G91 R104 V108 | Y90-H106 WeakPolarHBondContact CA-O 3.3Å; G91-H106 PolarHBondContact N-O 2.9Å; G91-H106 PolarHBondContact O-N 3.05Å; R104-H106 WeakPolarHBondContact CD-NE2 3.22Å; R104-H106 WeakPolarHBondContact CG-NE2 3.29Å; H106-V108 PolarHBondContact O-N 2.82Å |
| 107 | V | 48.8 | Very low | 41.7 | Very low | 89 Ų | 89 | 114.5 Ų | 114.5 | 54% | 0.539 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.5 | 113.6 | 169.6 | -166.6 | 0 | 0 | 0 | 0 | 107 | Y90 | Y90-V107 HydrophobicContact CD1-CB 4.41Å; Y90-V107 HydrophobicContact CD1-CG1 4.43Å; Y90-V107 HydrophobicContact CD1-CG2 3.84Å; Y90-V107 HydrophobicContact CE1-CB 4.25Å; Y90-V107 HydrophobicContact CE1-CG1 4Å; Y90-V107 HydrophobicContact CE1-CG2 3.54Å |
| 108 | V | 49.4 | Very low | 41.4 | Very low | 43 Ų | 43 | 117.7 Ų | 117.7 | 26% | 0.261 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.4 | 173 | -172.7 | 0 | 0 | 0 | 0 | 107 | L66 V89 H106 C110 | L66-V108 HydrophobicContact CD1-CG2 3.58Å; V89-V108 PolarHBondContact N-O 3.33Å; V89-V108 PolarHBondContact O-N 3.1Å; H106-V108 PolarHBondContact O-N 2.82Å; V108-C110 PolarHBondContact O-N 2.94Å |
| 109 | P | 39.8 | Very low | 40.9 | Very low | 67 Ų | 67 | 128.6 Ų | 128.6 | 44% | 0.435 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -58.4 | 132.2 | 167.9 | 24 | -30.9 | 0 | 0 | 0 | 108.1 | F111 | P109-F111 HydrophobicContact CB-CD2 4.01Å; P109-F111 HydrophobicContact CB-CE2 3.81Å; P109-F111 HydrophobicContact CG-CD2 3.75Å; P109-F111 HydrophobicContact CG-CE2 3.48Å; P109-F111 VanDerWaalsContact CG-CE2 3.48Å; P109-F111 PolarHBondContact O-N 3.21Å |
| 110 | C | 38.8 | Very low | 40.3 | Very low | 55 Ų | 55 | 131.3 Ų | 131.3 | 37% | 0.372 | 63% | 0.629 | S | S | . | * | trans | -66.3 | 72.8 | 168.8 | -68.5 | 0 | 0 | 0 | 0 | 108.6 | E87 V89 V108 D112 | E87-C110 VanDerWaalsContact C-SG 3.53Å; E87-C110 WeakPolarHBondContact O-CA 3.26Å; E87-C110 WeakPolarHBondContact O-CB 3.4Å; E87-C110 PolarHBondContact O-N 2.93Å; V89-C110 WeakPolarHBondContact CG2-SG 3.36Å; V108-C110 PolarHBondContact O-N 2.94Å; C110-D112 PolarHBondContact O-N 3.48Å | ||
| 111 | F | 37.2 | Very low | 40.6 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 72% | 0.715 | 63% | 0.626 | S | S | * | * | trans | -67.5 | 127 | 147.5 | -67.9 | -74.2 | 0 | 0 | 0 | 105.3 | P109 L113 | P109-F111 HydrophobicContact CB-CD2 4.01Å; P109-F111 HydrophobicContact CB-CE2 3.81Å; P109-F111 HydrophobicContact CG-CD2 3.75Å; P109-F111 HydrophobicContact CG-CE2 3.48Å; P109-F111 VanDerWaalsContact CG-CE2 3.48Å; P109-F111 PolarHBondContact O-N 3.21Å; F111-L113 VanDerWaalsContact C-N 3.25Å; F111-L113 PolarHBondContact O-N 3.4Å | ||
| 112 | D | 34.3 | Very low | 40.4 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 75% | 0.754 | 62% | 0.624 | S | S | * | * | trans | -37.4 | 87.7 | -179.9 | -75.8 | -46.4 | 0 | 0 | 0 | 111.6 | C110 W114 | C110-D112 PolarHBondContact O-N 3.48Å; D112-W114 PolarHBondContact O-N 3.41Å | ||
| 113 | L | 36.8 | Very low | 40.2 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 78% | 0.78 | 64% | 0.637 | S | S | * | * | trans | -81.3 | 55.8 | 170 | -84.7 | 166.5 | 0 | 0 | 0 | 106.1 | F111 | F111-L113 VanDerWaalsContact C-N 3.25Å; F111-L113 PolarHBondContact O-N 3.4Å | ||
| 114 | W | 38.1 | Very low | 39.8 | Very low | 223 Ų | 223 | 132.7 Ų | 132.7 | 85% | 0.845 | 64% | 0.639 | S | S | * | * | trans | -137.2 | 67.1 | -177.6 | -133.3 | 20.9 | 0 | 0 | 0 | 109.5 | D112 | D112-W114 PolarHBondContact O-N 3.41Š| ||
| 115 | H | 31.6 | Very low | 39.2 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 83% | 0.833 | 66% | 0.662 | S | S | * | * | trans | -135.5 | 118.2 | 158.3 | -76 | -72.1 | 0 | 0 | 0 | 112.7 | ||||
| 116 | K | 30.1 | Very low | 38.7 | Very low | 177 Ų | 177 | 138 Ų | 138 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | trans | 79.3 | 93.3 | 166.5 | -80.7 | 179.6 | 170.5 | 177.5 | 0 | 118.5 | L118 | K116-L118 PolarHBondContact O-N 3.43Š| ||
| 117 | T | 31.7 | Very low | 37.5 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 88% | 0.877 | 71% | 0.705 | S | S | * | * | -55.4 | 109.2 | 124.4 | 18.4 | 0 | 0 | 0 | 0 | 108.2 | R119 | T117-R119 PolarHBondContact O-N 3.41Š| |||
| 118 | L | 36.3 | Very low | 36.6 | Very low | 154 Ų | 154 | 150.6 Ų | 150.6 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | trans | -80 | 99.3 | 158.2 | -89.5 | 162.4 | 0 | 0 | 0 | 107.1 | K116 | K116-L118 PolarHBondContact O-N 3.43Š| ||
| 119 | R | 35 | Very low | 35.4 | Very low | 312 Ų | 312 | 160.4 Ų | 160.4 | 100% | 1.177 | 76% | 0.76 | S | S | * | * | trans | -154.9 | 0 | 148.6 | -150 | 174.9 | -174 | 173.2 | 1.3 | 110.6 | T117 | T117-R119 PolarHBondContact O-N 3.41Š|
Retrieved 119 of 119 residues in 107.2 ms
(Link to these results)