| 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 | 37.1 | Very low | 38.7 | Very low | 249 Ų | 249 | 135.4 Ų | 135.4 | 100% | 1.227 | 82% | 0.818 | S | S | * | * | 0 | 86.6 | 0 | -60.3 | 177 | 97.3 | 0 | 0 | 105.6 | |||||
| 2 | G | 35.7 | Very low | 38.4 | Very low | 79 Ų | 79 | 134 Ų | 134 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | 99.8 | 141.1 | 90.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 3 | S | 38.4 | Very low | 38.6 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 62% | 0.615 | 82% | 0.817 | S | S | * | * | cis | 179.4 | 124.4 | -6.4 | 163.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 4 | Q | 44.7 | Very low | 38.1 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | trans | 56.8 | 148.3 | 136.5 | -47 | 176.5 | 79.8 | 0 | 0 | 119.5 | ||||
| 5 | H | 36.8 | Very low | 38.1 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 67% | 0.667 | 81% | 0.809 | S | S | * | * | cis | -174.1 | 148.4 | 45.8 | -90.9 | -77.3 | 0 | 0 | 0 | 111.9 | ||||
| 6 | S | 39.7 | Very low | 38.2 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | 56.1 | 150 | 129.6 | -58.9 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 7 | A | 35.6 | Very low | 38 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | cis | -170.3 | 154.4 | -1.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 8 | A | 36.4 | Very low | 38.2 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | 41.2 | 129.2 | 142.1 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 9 | A | 32.4 | Very low | 38.3 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | 168.4 | 133.7 | 111.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 10 | R | 35.8 | Very low | 38.6 | Very low | 245 Ų | 245 | 143.6 Ų | 143.6 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -100.4 | 178 | 153.5 | -76.7 | -177.5 | 172.4 | 179.6 | -2.1 | 107.5 | ||||
| 11 | P | 53.3 | Low | 39 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | -137.2 | -174.2 | -5.1 | 31.7 | -8.2 | 0 | 0 | 0 | 114.1 | ||||
| 12 | S | 34.5 | Very low | 39.6 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | 154.6 | 147.8 | 145 | 57.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 13 | S | 41.9 | Very low | 40.2 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | cis | -157.9 | 157.3 | -8.3 | 65.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 14 | C | 31.4 | Very low | 40.8 | Very low | 120 Ų | 120 | 141 Ų | 141 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | trans | -71.1 | 138.7 | 169.4 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 15 | R | 38.6 | Very low | 41.3 | Very low | 189 Ų | 189 | 140 Ų | 140 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | 161.2 | 131 | 114.9 | -103.4 | -176.1 | 163.5 | 170.5 | 0.1 | 114.1 | |||||
| 16 | R | 39 | Very low | 42.2 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | trans | 68.5 | 134.4 | 136.2 | -75.5 | 174.9 | 178.4 | 165.9 | -3.7 | 116.6 | ||||
| 17 | K | 34.2 | Very low | 42.7 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 78% | 0.778 | 74% | 0.738 | S | S | * | * | cis | -166.8 | 129.4 | 45 | -120.2 | 157.7 | 174.8 | -171.2 | 0 | 106 | ||||
| 18 | Q | 42.3 | Very low | 43.5 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | 63.5 | 75.3 | 103.1 | -166 | 123.2 | 53.5 | 0 | 0 | 113.5 | D21 | Q18-D21 PolarHBondContact NE2-OD2 3.08Š| |||
| 19 | E | 40.7 | Very low | 44.3 | Very low | 192 Ų | 192 | 143 Ų | 143 | 90% | 0.897 | 73% | 0.727 | S | S | * | * | trans | -158.3 | 28.2 | 165.3 | -123.8 | 172 | -171.9 | 0 | 0 | 112.1 | ||||
| 20 | D | 42.7 | Very low | 45.2 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | trans | -121.8 | 8.9 | -175.8 | -156.1 | 12 | 0 | 0 | 0 | 112.4 | ||||
| 21 | D | 47.5 | Very low | 45.9 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 68% | 0.679 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -88.8 | -1.4 | -174.6 | -77.4 | -49.1 | 0 | 0 | 0 | 113.5 | Q18 | Q18-D21 PolarHBondContact NE2-OD2 3.08Š|
| 22 | R | 50.2 | Low | 45.8 | Very low | 218 Ų | 218 | 142.7 Ų | 142.7 | 82% | 0.823 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -112.7 | -15.9 | -171.1 | -156.3 | 163.7 | 160.8 | -112.4 | -4.5 | 114.6 | ||
| 23 | D | 48.9 | Very low | 46.5 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -96.3 | -17.7 | 177.9 | -62 | -26.3 | 0 | 0 | 0 | 112.4 | L25 | D23-L25 VanDerWaalsContact C-N 3.35Å; D23-L25 PolarHBondContact O-N 3.37Å |
| 24 | G | 50.2 | Low | 47 | Very low | 41 Ų | 41 | 144.1 Ų | 144.1 | 42% | 0.423 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -69.3 | -27.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L26 A27 E28 | G24-L26 VanDerWaalsContact C-N 3.31Å; G24-L26 PolarHBondContact O-N 3.17Å; G24-A27 PolarHBondContact O-N 3.13Å; G24-E28 PolarHBondContact O-N 3.13Å |
| 25 | L | 55.4 | Low | 48.4 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 70% | 0.696 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -73.8 | -21.3 | -175.7 | -154.4 | 78.1 | 0 | 0 | 0 | 113.3 | D23 | D23-L25 VanDerWaalsContact C-N 3.35Å; D23-L25 PolarHBondContact O-N 3.37Å |
| 26 | L | 54.5 | Low | 49.5 | Very low | 127 Ų | 127 | 139 Ų | 139 | 67% | 0.665 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -89 | -28.6 | 177 | -69.3 | 174.7 | 0 | 0 | 0 | 112.4 | G24 | G24-L26 VanDerWaalsContact C-N 3.31Å; G24-L26 PolarHBondContact O-N 3.17Å |
| 27 | A | 51.8 | Low | 50.5 | Low | 58 Ų | 58 | 139 Ų | 139 | 48% | 0.479 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -73 | -29.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G24 R29 | G24-A27 PolarHBondContact O-N 3.13Å; A27-R29 VanDerWaalsContact C-N 3.34Å |
| 28 | E | 52.2 | Low | 51.3 | Low | 131 Ų | 131 | 139 Ų | 139 | 61% | 0.612 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -67.8 | -35.3 | 178.2 | -142.9 | 175.3 | 108.1 | 0 | 0 | 111.9 | G24 E30 Q31 E32 | G24-E28 PolarHBondContact O-N 3.13Å; E28-E30 PolarHBondContact O-N 3.27Å; E28-Q31 PolarHBondContact O-N 3.06Å; E28-E32 PolarHBondContact O-N 2.68Å |
| 29 | R | 52.9 | Low | 52 | Low | 197 Ų | 197 | 136.7 Ų | 136.7 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -74.1 | -25.1 | -177.3 | -159 | 178.1 | -177.4 | -178.4 | 0.8 | 113.8 | A27 | A27-R29 VanDerWaalsContact C-N 3.34Å |
| 30 | E | 51.4 | Low | 52.7 | Low | 166 Ų | 166 | 136.7 Ų | 136.7 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -84 | -17.5 | 174.7 | -64.8 | -173 | 134.7 | 0 | 0 | 112.4 | E28 | E28-E30 PolarHBondContact O-N 3.27Å |
| 31 | Q | 49.9 | Very low | 53.7 | Low | 157 Ų | 157 | 134.7 Ų | 134.7 | 73% | 0.734 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -88.6 | -16.8 | 179.4 | -159.4 | 159.3 | 18.2 | 0 | 0 | 113.2 | E28 E33 | E28-Q31 PolarHBondContact O-N 3.06Å; Q31-E33 VanDerWaalsContact C-N 3.31Å; Q31-E33 PolarHBondContact O-N 2.99Å |
| 32 | E | 50.4 | Low | 54.4 | Low | 140 Ų | 140 | 135.4 Ų | 135.4 | 65% | 0.654 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -15.7 | 178.5 | -128.4 | 173.8 | 140.2 | 0 | 0 | 113.7 | E28 | E28-E32 PolarHBondContact O-N 2.68Š|
| 33 | E | 51.2 | Low | 54.7 | Low | 182 Ų | 182 | 133.5 Ų | 133.5 | 85% | 0.85 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 2.3 | 179.3 | -68.4 | -167.8 | 163.9 | 0 | 0 | 114.5 | Q31 | Q31-E33 VanDerWaalsContact C-N 3.31Å; Q31-E33 PolarHBondContact O-N 2.99Å |
| 34 | A | 52.5 | Low | 55.2 | Low | 81 Ų | 81 | 133.9 Ų | 133.9 | 67% | 0.669 | 68% | 0.684 | S | S | * | * | trans | -102 | 32 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A36 | A34-A36 PolarHBondContact O-N 2.74Å; A34-A36 VanDerWaalsContact O-N 3.07Å | ||
| 35 | I | 59.7 | Low | 55.4 | Low | 140 Ų | 140 | 133.9 Ų | 133.9 | 72% | 0.718 | 69% | 0.685 | S | S | * | * | trans | -70.7 | 106 | 170.8 | -56.5 | 172.9 | 0 | 0 | 0 | 107 | Q37 | I35-Q37 PolarHBondContact O-N 2.84Š| ||
| 36 | A | 62.5 | Low | 55.4 | Low | 61 Ų | 61 | 139.6 Ų | 139.6 | 50% | 0.504 | 70% | 0.697 | S | S | . | * | trans | -52.1 | 108 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | A34 F38 | A34-A36 PolarHBondContact O-N 2.74Å; A34-A36 VanDerWaalsContact O-N 3.07Å; A36-F38 HydrophobicContact CB-CD2 3.89Å; A36-F38 HydrophobicContact CB-CE2 3.44Å; A36-F38 VanDerWaalsContact CB-CE2 3.44Å; A36-F38 HydrophobicContact CB-CZ 3.99Å; A36-F38 VanDerWaalsContact O-CD2 3.28Å; A36-F38 WeakPolarHBondContact O-CD2 3.27Å; A36-F38 PolarHBondContact O-N 3.25Å | ||
| 37 | Q | 59.8 | Low | 55.5 | Low | 183 Ų | 183 | 141.1 Ų | 141.1 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | trans | -69 | 84.9 | 172.9 | -168.6 | 88.9 | 4.1 | 0 | 0 | 108 | I35 P39 | I35-Q37 PolarHBondContact O-N 2.84Å; Q37-P39 WeakPolarHBondContact O-CD 3.01Å | ||
| 38 | F | 51.3 | Low | 56 | Low | 180 Ų | 180 | 142 Ų | 142 | 79% | 0.789 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -72 | 121.3 | 173.8 | -75 | -78.8 | 0 | 0 | 0 | 109 | A36 Y40 | A36-F38 HydrophobicContact CB-CD2 3.89Å; A36-F38 HydrophobicContact CB-CE2 3.44Å; A36-F38 VanDerWaalsContact CB-CE2 3.44Å; A36-F38 HydrophobicContact CB-CZ 3.99Å; A36-F38 VanDerWaalsContact O-CD2 3.28Å; A36-F38 WeakPolarHBondContact O-CD2 3.27Å; A36-F38 PolarHBondContact O-N 3.25Å; F38-Y40 PolarHBondContact O-N 3.34Å |
| 39 | P | 57 | Low | 56.5 | Low | 104 Ų | 104 | 143.5 Ų | 143.5 | 68% | 0.675 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 129.6 | 175.6 | -15.7 | 28.4 | 0 | 0 | 0 | 109.3 | Q37 V41 | Q37-P39 WeakPolarHBondContact O-CD 3.01Å; P39-V41 PolarHBondContact O-N 3.16Å |
| 40 | Y | 54.7 | Low | 57.2 | Low | 192 Ų | 192 | 138.5 Ų | 138.5 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 127.2 | 169.3 | -179.7 | -106.5 | 0 | 0 | 0 | 109 | F38 E42 | F38-Y40 PolarHBondContact O-N 3.34Å; Y40-E42 HydrophobicContact CD1-CG 4.1Å; Y40-E42 HydrophobicContact CE1-CG 3.25Å; Y40-E42 WeakPolarHBondContact CE1-OE1 3.42Å |
| 41 | V | 62.7 | Low | 57.7 | Low | 91 Ų | 91 | 133.7 Ų | 133.7 | 55% | 0.552 | 69% | 0.694 | S | S | * | * | trans | -127.7 | 115.9 | -179.9 | -75.3 | 0 | 0 | 0 | 0 | 109.2 | P39 F43 | P39-V41 PolarHBondContact O-N 3.16Å; V41-F43 HydrophobicContact CB-CD2 4.29Å; V41-F43 HydrophobicContact CB-CE2 4.08Å; V41-F43 HydrophobicContact CG2-CD2 3.84Å; V41-F43 HydrophobicContact CG2-CE2 3.45Å; V41-F43 VanDerWaalsContact CG2-CE2 3.45Å; V41-F43 HydrophobicContact CG2-CZ 4.48Å; V41-F43 PolarHBondContact O-N 3.25Å | ||
| 42 | E | 63.1 | Low | 58.5 | Low | 143 Ų | 143 | 133.8 Ų | 133.8 | 67% | 0.668 | 70% | 0.699 | S | S | * | * | trans | -79.5 | 96.4 | 174.4 | -65.5 | -175 | 161.9 | 0 | 0 | 109.2 | Y40 T44 | Y40-E42 HydrophobicContact CD1-CG 4.1Å; Y40-E42 HydrophobicContact CE1-CG 3.25Å; Y40-E42 WeakPolarHBondContact CE1-OE1 3.42Å; E42-T44 VanDerWaalsContact C-N 3.27Å; E42-T44 PolarHBondContact O-N 3.35Å | ||
| 43 | F | 56.1 | Low | 59.1 | Low | 177 Ų | 177 | 130.8 Ų | 130.8 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | trans | -78.5 | 76.6 | 170.2 | -79.8 | -85.8 | 0 | 0 | 0 | 110 | V41 G45 | V41-F43 HydrophobicContact CB-CD2 4.29Å; V41-F43 HydrophobicContact CB-CE2 4.08Å; V41-F43 HydrophobicContact CG2-CD2 3.84Å; V41-F43 HydrophobicContact CG2-CE2 3.45Å; V41-F43 VanDerWaalsContact CG2-CE2 3.45Å; V41-F43 HydrophobicContact CG2-CZ 4.48Å; V41-F43 PolarHBondContact O-N 3.25Å; F43-G45 PolarHBondContact O-N 3.46Å | ||
| 44 | T | 60.8 | Low | 59.7 | Low | 127 Ų | 127 | 123.4 Ų | 123.4 | 78% | 0.779 | 66% | 0.659 | S | S | * | * | trans | -77.1 | 68.9 | 165.9 | 59.9 | 0 | 0 | 0 | 0 | 109.7 | E42 | E42-T44 VanDerWaalsContact C-N 3.27Å; E42-T44 PolarHBondContact O-N 3.35Å | ||
| 45 | G | 53.3 | Low | 60.4 | Low | 42 Ų | 42 | 126.9 Ų | 126.9 | 43% | 0.433 | 66% | 0.661 | S | S | . | * | trans | -81.2 | 144.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | F43 D47 S48 | F43-G45 PolarHBondContact O-N 3.46Å; G45-D47 PolarHBondContact O-N 3.36Å; G45-S48 PolarHBondContact O-N 3.03Å; G45-S48 PolarHBondContact O-OG 3.01Å | ||
| 46 | R | 56.3 | Low | 60.9 | Low | 253 Ų | 253 | 122.9 Ų | 122.9 | 96% | 0.955 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 2.8 | -173.1 | -69.2 | 180 | -158.5 | 151.1 | 7.3 | 116.2 | ||
| 47 | D | 55.2 | Low | 61.2 | Low | 159 Ų | 159 | 125 Ų | 125 | 85% | 0.85 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.8 | 27.4 | 175.8 | -58.6 | -49.3 | 0 | 0 | 0 | 111.9 | G45 I49 | G45-D47 PolarHBondContact O-N 3.36Å; D47-I49 PolarHBondContact O-N 2.84Å |
| 48 | S | 63.1 | Low | 61.5 | Low | 76 Ų | 76 | 119.6 Ų | 119.6 | 53% | 0.531 | 66% | 0.655 | S | S | . | * | trans | -72.5 | 110.7 | 178.1 | 62.2 | 0 | 0 | 0 | 0 | 110.7 | G45 T50 | G45-S48 PolarHBondContact O-N 3.03Å; G45-S48 PolarHBondContact O-OG 3.01Å; S48-T50 PolarHBondContact O-N 3.29Å | ||
| 49 | I | 63.3 | Low | 62.1 | Low | 163 Ų | 163 | 118.1 Ų | 118.1 | 84% | 0.836 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 120.3 | 173 | -35.5 | 171.1 | 0 | 0 | 0 | 106.9 | D47 C51 | D47-I49 PolarHBondContact O-N 2.84Å; I49-C51 PolarHBondContact O-N 2.88Å |
| 50 | T | 66.8 | Low | 62.4 | Low | 92 Ų | 92 | 116.3 Ų | 116.3 | 56% | 0.564 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 132.5 | 178.4 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | S48 L52 | S48-T50 PolarHBondContact O-N 3.29Å; T50-L52 PolarHBondContact O-N 3.31Å |
| 51 | C | 61.3 | Low | 62.8 | Low | 64 Ų | 64 | 110.6 Ų | 110.6 | 43% | 0.432 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 124.1 | 176.2 | 173.4 | 0 | 0 | 0 | 0 | 109.3 | I49 T53 C54 Q55 | I49-C51 PolarHBondContact O-N 2.88Å; C51-T53 PolarHBondContact O-N 2.88Å; C51-T53 VanDerWaalsContact O-N 3.16Å; C51-C54 VanDerWaalsContact CB-SG 3.55Å; C51-Q55 WeakPolarHBondContact O-CA 3.08Å; C51-Q55 PolarHBondContact O-N 2.91Å |
| 52 | L | 66.3 | Low | 62.6 | Low | 159 Ų | 159 | 110.8 Ų | 110.8 | 83% | 0.832 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -23.3 | -178.9 | -87.7 | 82 | 0 | 0 | 0 | 113.2 | T50 | T50-L52 PolarHBondContact O-N 3.31Š|
| 53 | T | 64.2 | Low | 62.4 | Low | 77 Ų | 77 | 113.1 Ų | 113.1 | 47% | 0.472 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.4 | -43 | -176 | -48.3 | 0 | 0 | 0 | 0 | 112.7 | C51 I60 L68 | C51-T53 PolarHBondContact O-N 2.88Å; C51-T53 VanDerWaalsContact O-N 3.16Å; T53-I60 HydrophobicContact CG2-CD1 3.97Å; T53-I60 HydrophobicContact CG2-CG1 4.36Å; T53-L68 HydrophobicContact CG2-CD2 4.34Å |
| 54 | C | 63.8 | Low | 62.3 | Low | 27 Ų | 27 | 110.5 Ų | 110.5 | 18% | 0.182 | 62% | 0.618 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -108.1 | -0.6 | 179.5 | 65.9 | 0 | 0 | 0 | 0 | 113.2 | C51 G56 T57 I60 | C51-C54 VanDerWaalsContact CB-SG 3.55Å; C54-G56 PolarHBondContact O-N 3.18Å; C54-T57 WeakPolarHBondContact O-CB 3.49Å; C54-T57 PolarHBondContact O-N 3.17Å; C54-T57 PolarHBondContact O-OG1 3.32Å; C54-I60 HydrophobicContact CB-CG1 4.35Å |
| 55 | Q | 67.8 | Low | 61.9 | Low | 154 Ų | 154 | 108 Ų | 108 | 72% | 0.72 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.3 | 25.5 | -176 | -59.6 | -178.2 | 23 | 0 | 0 | 114.1 | C51 T57 | C51-Q55 WeakPolarHBondContact O-CA 3.08Å; C51-Q55 PolarHBondContact O-N 2.91Å; Q55-T57 VanDerWaalsContact C-N 3.34Å |
| 56 | G | 68.9 | Low | 61.6 | Low | 56 Ų | 56 | 113.7 Ų | 113.7 | 58% | 0.577 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82 | 4.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | C54 | C54-G56 PolarHBondContact O-N 3.18Š|
| 57 | T | 69.2 | Low | 61.3 | Low | 105 Ų | 105 | 109.7 Ų | 109.7 | 64% | 0.644 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -87.3 | -10.3 | 179.7 | 67.4 | 0 | 0 | 0 | 0 | 113.9 | C54 Q55 Y59 | C54-T57 WeakPolarHBondContact O-CB 3.49Å; C54-T57 PolarHBondContact O-N 3.17Å; C54-T57 PolarHBondContact O-OG1 3.32Å; Q55-T57 VanDerWaalsContact C-N 3.34Å; T57-Y59 PolarHBondContact O-N 2.85Å; T57-Y59 PolarHBondContact OG1-O 3.34Å |
| 58 | G | 66.1 | Low | 61.2 | Low | 70 Ų | 70 | 105 Ų | 105 | 72% | 0.722 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 68.4 | -0.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 59 | Y | 64 | Low | 60.6 | Low | 150 Ų | 150 | 108 Ų | 108 | 59% | 0.588 | 60% | 0.604 | S | S | * | * | trans | -124 | 139.1 | -179.3 | -170.8 | -100.9 | 0 | 0 | 0 | 110.8 | T57 | T57-Y59 PolarHBondContact O-N 2.85Å; T57-Y59 PolarHBondContact OG1-O 3.34Å | ||
| 60 | I | 63.8 | Low | 60.3 | Low | 66 Ų | 66 | 104 Ų | 104 | 34% | 0.338 | 60% | 0.595 | S | S | . | * | trans | -113.7 | 115.8 | 178.4 | -61.6 | 164.3 | 0 | 0 | 0 | 106.7 | T53 C54 T62 V65 L68 | T53-I60 HydrophobicContact CG2-CD1 3.97Å; T53-I60 HydrophobicContact CG2-CG1 4.36Å; C54-I60 HydrophobicContact CB-CG1 4.35Å; I60-T62 PolarHBondContact O-N 2.91Å; I60-V65 HydrophobicContact CG2-CG1 4.25Å; I60-L68 HydrophobicContact CG2-CD2 4.43Å | ||
| 61 | P | 63.5 | Low | 59.9 | Low | 71 Ų | 71 | 105.4 Ų | 105.4 | 46% | 0.461 | 60% | 0.599 | S | S | . | * | trans | -61.4 | 131.1 | -176.5 | 21.5 | -29.7 | 0 | 0 | 0 | 111.3 | E63 Q64 | P61-E63 PolarHBondContact O-N 3.09Å; P61-E63 VanDerWaalsContact O-N 3.13Å; P61-Q64 PolarHBondContact O-N 3.46Å; P61-Q64 VanDerWaalsContact O-N 3.13Å | ||
| 62 | T | 57.1 | Low | 59.6 | Low | 96 Ų | 96 | 107.4 Ų | 107.4 | 59% | 0.589 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -1.6 | -173 | 48.8 | 0 | 0 | 0 | 0 | 114.4 | I60 Q64 V65 | I60-T62 PolarHBondContact O-N 2.91Å; T62-Q64 VanDerWaalsContact C-N 3.25Å; T62-V65 HydrophobicContact CG2-CG2 4.29Å; T62-V65 VanDerWaalsContact O-CG2 3.27Å; T62-V65 WeakPolarHBondContact O-CG2 3.39Å |
| 63 | E | 59 | Low | 58.6 | Low | 192 Ų | 192 | 103.4 Ų | 103.4 | 90% | 0.897 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -13.6 | 168.2 | -72.9 | -167.8 | 156.4 | 0 | 0 | 112.7 | P61 | P61-E63 PolarHBondContact O-N 3.09Å; P61-E63 VanDerWaalsContact O-N 3.13Å |
| 64 | Q | 54.7 | Low | 57.7 | Low | 122 Ų | 122 | 109.1 Ų | 109.1 | 57% | 0.57 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | -9.7 | 176.8 | -76.5 | 169.6 | 16.7 | 0 | 0 | 114.1 | P61 T62 N66 E67 L68 | P61-Q64 PolarHBondContact O-N 3.46Å; P61-Q64 VanDerWaalsContact O-N 3.13Å; T62-Q64 VanDerWaalsContact C-N 3.25Å; Q64-N66 PolarHBondContact O-N 3.07Å; Q64-E67 PolarHBondContact O-N 2.91Å; Q64-E67 VanDerWaalsContact O-N 3.08Å; Q64-L68 HydrophobicContact CB-CD1 4.16Å; Q64-L68 WeakPolarHBondContact O-CD1 3.44Å |
| 65 | V | 52.3 | Low | 57.2 | Low | 73 Ų | 73 | 113 Ų | 113 | 44% | 0.442 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -64 | -23.6 | -178.1 | -70.1 | 0 | 0 | 0 | 0 | 114.2 | I60 T62 E67 L68 | I60-V65 HydrophobicContact CG2-CG1 4.25Å; T62-V65 HydrophobicContact CG2-CG2 4.29Å; T62-V65 VanDerWaalsContact O-CG2 3.27Å; T62-V65 WeakPolarHBondContact O-CG2 3.39Å; V65-E67 PolarHBondContact O-N 3.37Å; V65-L68 PolarHBondContact O-N 2.85Å |
| 66 | N | 46.8 | Very low | 56.6 | Low | 162 Ų | 162 | 108.1 Ų | 108.1 | 87% | 0.866 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -75.3 | -8.9 | 177.7 | -127.2 | 28.3 | 0 | 0 | 0 | 113.3 | Q64 | Q64-N66 PolarHBondContact O-N 3.07Š|
| 67 | E | 50.3 | Low | 55.8 | Low | 170 Ų | 170 | 113.9 Ų | 113.9 | 79% | 0.794 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -114.9 | 14.5 | 173 | -155.5 | -175.5 | 162.6 | 0 | 0 | 111.5 | Q64 V65 | Q64-E67 PolarHBondContact O-N 2.91Å; Q64-E67 VanDerWaalsContact O-N 3.08Å; V65-E67 PolarHBondContact O-N 3.37Å |
| 68 | L | 53.2 | Low | 54.9 | Low | 61 Ų | 61 | 119.6 Ų | 119.6 | 32% | 0.319 | 64% | 0.636 | S | S | . | * | trans | -110.5 | 54.2 | 175.9 | -89.3 | 82.9 | 0 | 0 | 0 | 110.9 | T53 I60 Q64 V65 A70 L71 | T53-L68 HydrophobicContact CG2-CD2 4.34Å; I60-L68 HydrophobicContact CG2-CD2 4.43Å; Q64-L68 HydrophobicContact CB-CD1 4.16Å; Q64-L68 WeakPolarHBondContact O-CD1 3.44Å; V65-L68 PolarHBondContact O-N 2.85Å; L68-A70 PolarHBondContact O-N 3.14Å; L68-L71 HydrophobicContact CD1-CD1 4.36Å; L68-L71 HydrophobicContact CD2-CD1 3.66Å; L68-L71 HydrophobicContact CG-CD1 3.66Å; L68-L71 HydrophobicContact CG-CG 4.25Å | ||
| 69 | V | 51 | Low | 54.2 | Low | 138 Ų | 138 | 122.3 Ų | 122.3 | 84% | 0.836 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -84.9 | 90.5 | 161.8 | -177.5 | 0 | 0 | 0 | 0 | 107.2 | ||
| 70 | A | 57 | Low | 53.7 | Low | 78 Ų | 78 | 124.6 Ų | 124.6 | 65% | 0.645 | 64% | 0.641 | S | S | * | * | trans | 56.6 | 85.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L68 I72 | L68-A70 PolarHBondContact O-N 3.14Å; A70-I72 PolarHBondContact O-N 2.9Å | ||
| 71 | L | 56.7 | Low | 53.5 | Low | 123 Ų | 123 | 123.5 Ų | 123.5 | 64% | 0.644 | 64% | 0.638 | S | S | * | * | trans | -71.7 | 82 | 161.7 | -74.5 | 165.9 | 0 | 0 | 0 | 109.7 | L68 P73 | L68-L71 HydrophobicContact CD1-CD1 4.36Å; L68-L71 HydrophobicContact CD2-CD1 3.66Å; L68-L71 HydrophobicContact CG-CD1 3.66Å; L68-L71 HydrophobicContact CG-CG 4.25Å; L71-P73 WeakPolarHBondContact O-CD 3.26Å | ||
| 72 | I | 55.4 | Low | 53.3 | Low | 106 Ų | 106 | 127 Ų | 127 | 54% | 0.544 | 65% | 0.648 | S | S | . | * | trans | -70 | 115.4 | 156 | -61.2 | 167.2 | 0 | 0 | 0 | 104.9 | A70 H74 D76 L79 | A70-I72 PolarHBondContact O-N 2.9Å; I72-H74 PolarHBondContact O-N 3.42Å; I72-D76 HydrophobicContact CG2-CB 4.3Å; I72-D76 VanDerWaalsContact CG2-OD2 3.26Å; I72-D76 WeakPolarHBondContact CG2-OD2 3.28Å; I72-L79 HydrophobicContact CG2-CD1 4.24Å; I72-L79 HydrophobicContact CG2-CD2 4.49Å | ||
| 73 | P | 45.4 | Very low | 53.9 | Low | 75 Ų | 75 | 130.6 Ų | 130.6 | 49% | 0.487 | 65% | 0.651 | S | S | . | * | trans | -54.5 | 134.4 | -174.5 | 16 | -26.4 | 0 | 0 | 0 | 110.8 | L71 S75 D76 | L71-P73 WeakPolarHBondContact O-CD 3.26Å; P73-S75 PolarHBondContact O-N 3.29Å; P73-D76 HydrophobicContact CG-CB 4.24Å; P73-D76 WeakPolarHBondContact O-CB 3.46Å; P73-D76 PolarHBondContact O-N 3.34Å | ||
| 74 | H | 46.6 | Very low | 54.8 | Low | 196 Ų | 196 | 125.1 Ų | 125.1 | 91% | 0.907 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -10.6 | 179.3 | -176.1 | -86.2 | 0 | 0 | 0 | 113.5 | I72 | I72-H74 PolarHBondContact O-N 3.42Š|
| 75 | S | 52.5 | Low | 55.9 | Low | 109 Ų | 109 | 126.9 Ų | 126.9 | 76% | 0.762 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | 38.5 | 174.6 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | P73 Q77 | P73-S75 PolarHBondContact O-N 3.29Å; S75-Q77 PolarHBondContact O-N 3.48Å; S75-Q77 VanDerWaalsContact O-N 3.09Å |
| 76 | D | 56 | Low | 57.4 | Low | 51 Ų | 51 | 129.2 Ų | 129.2 | 27% | 0.273 | 64% | 0.643 | S | S | . | * | trans | -63.8 | 112.6 | 174.3 | -129.7 | -23.5 | 0 | 0 | 0 | 109.8 | I72 P73 R78 L79 R80 | I72-D76 HydrophobicContact CG2-CB 4.3Å; I72-D76 VanDerWaalsContact CG2-OD2 3.26Å; I72-D76 WeakPolarHBondContact CG2-OD2 3.28Å; P73-D76 HydrophobicContact CG-CB 4.24Å; P73-D76 WeakPolarHBondContact O-CB 3.46Å; P73-D76 PolarHBondContact O-N 3.34Å; D76-R78 PolarHBondContact O-N 3.07Å; D76-R78 VanDerWaalsContact O-N 3.14Å; D76-L79 HydrophobicContact CB-CB 4.11Å; D76-L79 HydrophobicContact CB-CD1 4.09Å; D76-L79 WeakPolarHBondContact O-CA 2.94Å; D76-L79 WeakPolarHBondContact O-CB 3.42Å; D76-L79 PolarHBondContact O-N 3.2Å; D76-R80 PolarHBondContact O-N 3.25Å | ||
| 77 | Q | 50.6 | Low | 59.3 | Low | 177 Ų | 177 | 129 Ų | 129 | 83% | 0.827 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -11.4 | -178 | -162.3 | 145.2 | 4.7 | 0 | 0 | 112.3 | S75 | S75-Q77 PolarHBondContact O-N 3.48Å; S75-Q77 VanDerWaalsContact O-N 3.09Å |
| 78 | R | 51.1 | Low | 61.2 | Low | 226 Ų | 226 | 124.4 Ų | 124.4 | 85% | 0.853 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -30.7 | 164.6 | -67.7 | -172 | 73.7 | -158.7 | 2.8 | 113.3 | D76 R80 | D76-R78 PolarHBondContact O-N 3.07Å; D76-R78 VanDerWaalsContact O-N 3.14Å; R78-R80 VanDerWaalsContact C-N 3.3Å |
| 79 | L | 52.3 | Low | 63 | Low | 126 Ų | 126 | 127.1 Ų | 127.1 | 66% | 0.66 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -7.2 | 175.8 | -100.5 | 74.2 | 0 | 0 | 0 | 113.4 | I72 D76 P81 | I72-L79 HydrophobicContact CG2-CD1 4.24Å; I72-L79 HydrophobicContact CG2-CD2 4.49Å; D76-L79 HydrophobicContact CB-CB 4.11Å; D76-L79 HydrophobicContact CB-CD1 4.09Å; D76-L79 WeakPolarHBondContact O-CA 2.94Å; D76-L79 WeakPolarHBondContact O-CB 3.42Å; D76-L79 PolarHBondContact O-N 3.2Å; L79-P81 WeakPolarHBondContact O-CD 3.14Å |
| 80 | R | 51.7 | Low | 65 | Low | 198 Ų | 198 | 125.1 Ų | 125.1 | 75% | 0.747 | 61% | 0.612 | S | S | * | * | trans | -106.4 | 68.2 | 177.2 | -137.2 | -177 | -158.8 | -158.4 | 6.7 | 111.1 | D76 R78 Q82 | D76-R80 PolarHBondContact O-N 3.25Å; R78-R80 VanDerWaalsContact C-N 3.3Å; R80-Q82 VanDerWaalsContact C-N 3.31Å; R80-Q82 PolarHBondContact O-N 3.49Å | ||
| 81 | P | 60.1 | Low | 66.8 | Low | 43 Ų | 43 | 124.4 Ų | 124.4 | 28% | 0.279 | 60% | 0.603 | S | S | . | * | trans | -83.3 | 84.5 | -178.9 | 37.5 | -35.8 | 0 | 0 | 0 | 108.9 | L79 R83 T84 K85 | L79-P81 WeakPolarHBondContact O-CD 3.14Å; P81-R83 PolarHBondContact O-N 3.43Å; P81-T84 WeakPolarHBondContact CB-OG1 3.44Å; P81-T84 PolarHBondContact O-N 3.26Å; P81-K85 PolarHBondContact O-N 3.39Å | ||
| 82 | Q | 59.9 | Low | 68.7 | Low | 144 Ų | 144 | 123 Ų | 123 | 67% | 0.673 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -54.9 | -33.8 | 170.2 | -77.6 | -176.1 | -18.2 | 0 | 0 | 111.1 | R80 | R80-Q82 VanDerWaalsContact C-N 3.31Å; R80-Q82 PolarHBondContact O-N 3.49Å |
| 83 | R | 70 | Confident | 70.7 | Confident | 173 Ų | 173 | 122.2 Ų | 122.2 | 65% | 0.653 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -76.3 | -43.7 | 176.1 | -57.3 | -63.8 | -177.2 | 165 | 1.5 | 112.8 | P81 K85 Q86 Y87 | P81-R83 PolarHBondContact O-N 3.43Å; R83-K85 VanDerWaalsContact C-N 3.31Å; R83-K85 PolarHBondContact O-N 3.03Å; R83-Q86 WeakPolarHBondContact O-CB 3.24Å; R83-Q86 PolarHBondContact O-N 2.89Å; R83-Y87 HydrophobicContact CB-CD2 4.34Å; R83-Y87 HydrophobicContact CB-CE2 3.92Å; R83-Y87 WeakPolarHBondContact O-CD2 3.46Å; R83-Y87 PolarHBondContact O-N 3.4Å |
| 84 | T | 76.4 | Confident | 73.1 | Confident | 76 Ų | 76 | 123.7 Ų | 123.7 | 47% | 0.466 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.3 | -32.6 | 178.4 | -45.4 | 0 | 0 | 0 | 0 | 112.6 | P81 Q86 Y87 V88 | P81-T84 WeakPolarHBondContact CB-OG1 3.44Å; P81-T84 PolarHBondContact O-N 3.26Å; T84-Q86 VanDerWaalsContact C-N 3.33Å; T84-Q86 PolarHBondContact O-N 3.39Å; T84-Y87 PolarHBondContact O-N 3Å; T84-V88 HydrophobicContact CG2-CG2 4.18Å; T84-V88 WeakPolarHBondContact O-CB 3.46Å; T84-V88 VanDerWaalsContact O-CG2 3.25Å; T84-V88 WeakPolarHBondContact O-CG2 3.39Å; T84-V88 PolarHBondContact O-N 3.32Å |
| 85 | K | 79.1 | Confident | 75.4 | Confident | 159 Ų | 159 | 118.3 Ų | 118.3 | 69% | 0.691 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.2 | -42.9 | 170.3 | -73 | -173.3 | 178.7 | -173.2 | 0 | 112.3 | P81 R83 L89 | P81-K85 PolarHBondContact O-N 3.39Å; R83-K85 VanDerWaalsContact C-N 3.31Å; R83-K85 PolarHBondContact O-N 3.03Å; K85-L89 VanDerWaalsContact O-CB 3.32Å; K85-L89 WeakPolarHBondContact O-CB 3.32Å; K85-L89 PolarHBondContact O-N 3.05Å |
| 86 | Q | 83.8 | Confident | 77.5 | Confident | 122 Ų | 122 | 118.4 Ų | 118.4 | 57% | 0.57 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.7 | -42.6 | 176 | -69.2 | 178.7 | -16 | 0 | 0 | 111.8 | R83 T84 L89 L90 | R83-Q86 WeakPolarHBondContact O-CB 3.24Å; R83-Q86 PolarHBondContact O-N 2.89Å; T84-Q86 VanDerWaalsContact C-N 3.33Å; T84-Q86 PolarHBondContact O-N 3.39Å; Q86-L89 PolarHBondContact O-N 3.05Å; Q86-L90 VanDerWaalsContact O-CB 3.24Å; Q86-L90 WeakPolarHBondContact O-CB 3.25Å; Q86-L90 PolarHBondContact O-N 3.36Å |
| 87 | Y | 86.3 | Confident | 79.3 | Confident | 159 Ų | 159 | 120.8 Ų | 120.8 | 62% | 0.624 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.5 | -41.9 | 177.4 | -69.7 | -65.7 | 0 | 0 | 0 | 112.8 | R83 T84 L90 S91 | R83-Y87 HydrophobicContact CB-CD2 4.34Å; R83-Y87 HydrophobicContact CB-CE2 3.92Å; R83-Y87 WeakPolarHBondContact O-CD2 3.46Å; R83-Y87 PolarHBondContact O-N 3.4Å; T84-Y87 PolarHBondContact O-N 3Å; Y87-L90 PolarHBondContact O-N 2.91Å; Y87-S91 WeakPolarHBondContact O-CB 3.44Å; Y87-S91 PolarHBondContact O-N 2.84Å; Y87-S91 PolarHBondContact O-OG 2.88Å |
| 88 | V | 90.4 | Very high | 81.4 | Confident | 73 Ų | 73 | 114.9 Ų | 114.9 | 44% | 0.442 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.3 | -41.6 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | T84 S91 I92 | T84-V88 HydrophobicContact CG2-CG2 4.18Å; T84-V88 WeakPolarHBondContact O-CB 3.46Å; T84-V88 VanDerWaalsContact O-CG2 3.25Å; T84-V88 WeakPolarHBondContact O-CG2 3.39Å; T84-V88 PolarHBondContact O-N 3.32Å; V88-S91 PolarHBondContact O-N 3.45Å; V88-S91 PolarHBondContact O-OG 2.83Å; V88-I92 HydrophobicContact CG1-CD1 3.92Å; V88-I92 WeakPolarHBondContact O-CD1 3.28Å; V88-I92 VanDerWaalsContact O-CG1 3.24Å; V88-I92 WeakPolarHBondContact O-CG1 3.02Å; V88-I92 PolarHBondContact O-N 2.98Å |
| 89 | L | 91.1 | Very high | 83.4 | Confident | 117 Ų | 117 | 106.7 Ų | 106.7 | 61% | 0.613 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 175.7 | -167.3 | 156.1 | 0 | 0 | 0 | 111.1 | K85 Q86 S91 I92 L93 | K85-L89 VanDerWaalsContact O-CB 3.32Å; K85-L89 WeakPolarHBondContact O-CB 3.32Å; K85-L89 PolarHBondContact O-N 3.05Å; Q86-L89 PolarHBondContact O-N 3.05Å; L89-S91 VanDerWaalsContact C-N 3.35Å; L89-S91 PolarHBondContact O-N 2.86Å; L89-I92 PolarHBondContact O-N 3.46Å; L89-L93 WeakPolarHBondContact O-CB 3.24Å; L89-L93 PolarHBondContact O-N 2.91Å |
| 90 | L | 93.1 | Very high | 85.2 | Confident | 96 Ų | 96 | 102.5 Ų | 102.5 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 177.2 | -164.4 | 85.2 | 0 | 0 | 0 | 111.6 | Q86 Y87 L93 L94 | Q86-L90 VanDerWaalsContact O-CB 3.24Å; Q86-L90 WeakPolarHBondContact O-CB 3.25Å; Q86-L90 PolarHBondContact O-N 3.36Å; Y87-L90 PolarHBondContact O-N 2.91Å; L90-L93 PolarHBondContact O-N 3.26Å; L90-L94 HydrophobicContact CD2-CD1 4.25Å; L90-L94 HydrophobicContact CG-CD1 4.14Å; L90-L94 WeakPolarHBondContact O-CB 3.4Å; L90-L94 PolarHBondContact O-N 2.87Å |
| 91 | S | 94.9 | Very high | 86.8 | Confident | 63 Ų | 63 | 97.7 Ų | 97.7 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.7 | -41.2 | 178.4 | 69.3 | 0 | 0 | 0 | 0 | 111.9 | Y87 V88 L89 L94 C95 | Y87-S91 WeakPolarHBondContact O-CB 3.44Å; Y87-S91 PolarHBondContact O-N 2.84Å; Y87-S91 PolarHBondContact O-OG 2.88Å; V88-S91 PolarHBondContact O-N 3.45Å; V88-S91 PolarHBondContact O-OG 2.83Å; L89-S91 VanDerWaalsContact C-N 3.35Å; L89-S91 PolarHBondContact O-N 2.86Å; S91-L94 PolarHBondContact O-N 3.48Å; S91-C95 WeakPolarHBondContact O-CB 3.2Å; S91-C95 PolarHBondContact O-N 3.47Å |
| 92 | I | 96.5 | Very high | 88.1 | Confident | 93 Ų | 93 | 99.6 Ų | 99.6 | 48% | 0.477 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 173.3 | -66.7 | 164.6 | 0 | 0 | 0 | 109.8 | V88 L89 C95 L96 | V88-I92 HydrophobicContact CG1-CD1 3.92Å; V88-I92 WeakPolarHBondContact O-CD1 3.28Å; V88-I92 VanDerWaalsContact O-CG1 3.24Å; V88-I92 WeakPolarHBondContact O-CG1 3.02Å; V88-I92 PolarHBondContact O-N 2.98Å; L89-I92 PolarHBondContact O-N 3.46Å; I92-C95 PolarHBondContact O-N 3.39Å; I92-L96 HydrophobicContact CG2-CD1 3.89Å; I92-L96 HydrophobicContact CG2-CG 4.26Å; I92-L96 WeakPolarHBondContact O-CB 3.4Å; I92-L96 VanDerWaalsContact O-CG 3.28Å; I92-L96 WeakPolarHBondContact O-CG 3.3Å; I92-L96 PolarHBondContact O-N 2.89Å |
| 93 | L | 96.1 | Very high | 89.3 | Confident | 90 Ų | 90 | 96.1 Ų | 96.1 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 179.2 | -173.2 | 72.1 | 0 | 0 | 0 | 111.9 | L89 L90 C95 L96 L97 | L89-L93 WeakPolarHBondContact O-CB 3.24Å; L89-L93 PolarHBondContact O-N 2.91Å; L90-L93 PolarHBondContact O-N 3.26Å; L93-C95 VanDerWaalsContact C-N 3.32Å; L93-C95 PolarHBondContact O-N 3.39Å; L93-L96 PolarHBondContact O-N 3.44Å; L93-L97 HydrophobicContact CG-CD1 4.15Å; L93-L97 WeakPolarHBondContact O-CB 3.43Å; L93-L97 VanDerWaalsContact O-CG 3.27Å; L93-L97 WeakPolarHBondContact O-CG 3.27Å; L93-L97 PolarHBondContact O-N 3.4Å |
| 94 | L | 96.3 | Very high | 89.8 | Confident | 107 Ų | 107 | 94.6 Ų | 94.6 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61 | -41.1 | 175.9 | -90.4 | 159.2 | 0 | 0 | 0 | 111.9 | L90 S91 L97 A98 | L90-L94 HydrophobicContact CD2-CD1 4.25Å; L90-L94 HydrophobicContact CG-CD1 4.14Å; L90-L94 WeakPolarHBondContact O-CB 3.4Å; L90-L94 PolarHBondContact O-N 2.87Å; S91-L94 PolarHBondContact O-N 3.48Å; L94-L97 PolarHBondContact O-N 3.15Å; L94-A98 VanDerWaalsContact O-CB 3.29Å; L94-A98 WeakPolarHBondContact O-CB 3.43Å; L94-A98 PolarHBondContact O-N 3.36Å |
| 95 | C | 95.9 | Very high | 89.7 | Confident | 83 Ų | 83 | 95.8 Ų | 95.8 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.5 | -43.9 | 177.5 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | S91 I92 L93 L97 A98 S99 | S91-C95 WeakPolarHBondContact O-CB 3.2Å; S91-C95 PolarHBondContact O-N 3.47Å; I92-C95 PolarHBondContact O-N 3.39Å; L93-C95 VanDerWaalsContact C-N 3.32Å; L93-C95 PolarHBondContact O-N 3.39Å; C95-L97 VanDerWaalsContact C-N 3.35Å; C95-A98 PolarHBondContact O-N 2.8Å; C95-S99 VanDerWaalsContact O-CB 3.3Å; C95-S99 WeakPolarHBondContact O-CB 3.39Å; C95-S99 PolarHBondContact O-N 2.86Å; C95-S99 PolarHBondContact O-OG 2.85Å |
| 96 | L | 95 | Very high | 89.3 | Confident | 110 Ų | 110 | 94.1 Ų | 94.1 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.9 | -40.7 | 174.9 | -71.7 | 175.6 | 0 | 0 | 0 | 111.8 | I92 L93 S99 G100 | I92-L96 HydrophobicContact CG2-CD1 3.89Å; I92-L96 HydrophobicContact CG2-CG 4.26Å; I92-L96 WeakPolarHBondContact O-CB 3.4Å; I92-L96 VanDerWaalsContact O-CG 3.28Å; I92-L96 WeakPolarHBondContact O-CG 3.3Å; I92-L96 PolarHBondContact O-N 2.89Å; L93-L96 PolarHBondContact O-N 3.44Å; L96-S99 WeakPolarHBondContact CA-OG 3.22Å; L96-S99 PolarHBondContact O-OG 3.45Å; L96-G100 WeakPolarHBondContact O-CA 3.29Å; L96-G100 PolarHBondContact O-N 2.7Å |
| 97 | L | 94.9 | Very high | 88.5 | Confident | 101 Ų | 101 | 95.3 Ų | 95.3 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -48.3 | 175.4 | -73.7 | 170.5 | 0 | 0 | 0 | 111.4 | L93 L94 C95 G100 L101 | L93-L97 HydrophobicContact CG-CD1 4.15Å; L93-L97 WeakPolarHBondContact O-CB 3.43Å; L93-L97 VanDerWaalsContact O-CG 3.27Å; L93-L97 WeakPolarHBondContact O-CG 3.27Å; L93-L97 PolarHBondContact O-N 3.4Å; L94-L97 PolarHBondContact O-N 3.15Å; C95-L97 VanDerWaalsContact C-N 3.35Å; L97-G100 PolarHBondContact O-N 3.33Å; L97-L101 WeakPolarHBondContact O-CB 3.21Å; L97-L101 WeakPolarHBondContact O-CG 3.42Å; L97-L101 PolarHBondContact O-N 2.71Å |
| 98 | A | 94.6 | Very high | 87.4 | Confident | 54 Ų | 54 | 91.8 Ų | 91.8 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L94 C95 L101 V102 | L94-A98 VanDerWaalsContact O-CB 3.29Å; L94-A98 WeakPolarHBondContact O-CB 3.43Å; L94-A98 PolarHBondContact O-N 3.36Å; C95-A98 PolarHBondContact O-N 2.8Å; A98-L101 PolarHBondContact O-N 2.82Å; A98-V102 VanDerWaalsContact O-CG2 3.29Å; A98-V102 WeakPolarHBondContact O-CG2 3.5Å; A98-V102 PolarHBondContact O-N 2.81Å |
| 99 | S | 93.7 | Very high | 86.4 | Confident | 54 Ų | 54 | 93.6 Ų | 93.6 | 38% | 0.378 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 175.7 | 56.4 | 0 | 0 | 0 | 0 | 111.9 | C95 L96 L101 V102 V103 | C95-S99 VanDerWaalsContact O-CB 3.3Å; C95-S99 WeakPolarHBondContact O-CB 3.39Å; C95-S99 PolarHBondContact O-N 2.86Å; C95-S99 PolarHBondContact O-OG 2.85Å; L96-S99 WeakPolarHBondContact CA-OG 3.22Å; L96-S99 PolarHBondContact O-OG 3.45Å; S99-L101 VanDerWaalsContact C-N 3.34Å; S99-L101 PolarHBondContact O-N 2.83Å; S99-V102 PolarHBondContact O-N 3.41Å; S99-V103 VanDerWaalsContact O-CB 3.27Å; S99-V103 WeakPolarHBondContact O-CB 3.27Å; S99-V103 WeakPolarHBondContact O-CG2 3.15Å; S99-V103 PolarHBondContact O-N 3.3Å |
| 100 | G | 88.6 | Confident | 84.8 | Confident | 37 Ų | 37 | 92.3 Ų | 92.3 | 38% | 0.381 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L96 L97 V103 F104 | L96-G100 WeakPolarHBondContact O-CA 3.29Å; L96-G100 PolarHBondContact O-N 2.7Å; L97-G100 PolarHBondContact O-N 3.33Å; G100-V103 PolarHBondContact O-N 3.46Å; G100-F104 WeakPolarHBondContact O-CB 3.2Å; G100-F104 PolarHBondContact O-N 2.96Å |
| 101 | L | 86.8 | Confident | 83.3 | Confident | 98 Ų | 98 | 90.4 Ų | 90.4 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -48.8 | 173.9 | -73.2 | 170.6 | 0 | 0 | 0 | 111.1 | L97 A98 S99 V103 F104 F105 | L97-L101 WeakPolarHBondContact O-CB 3.21Å; L97-L101 WeakPolarHBondContact O-CG 3.42Å; L97-L101 PolarHBondContact O-N 2.71Å; A98-L101 PolarHBondContact O-N 2.82Å; S99-L101 VanDerWaalsContact C-N 3.34Å; S99-L101 PolarHBondContact O-N 2.83Å; L101-V103 VanDerWaalsContact C-N 3.29Å; L101-V103 PolarHBondContact O-N 2.77Å; L101-F104 PolarHBondContact O-N 2.84Å; L101-F104 VanDerWaalsContact O-N 3.17Å; L101-F105 HydrophobicContact CB-CD2 4.41Å; L101-F105 HydrophobicContact CB-CE2 4.4Å; L101-F105 HydrophobicContact CD2-CE2 4.33Å; L101-F105 WeakPolarHBondContact O-CD2 3.35Å; L101-F105 PolarHBondContact O-N 3.41Å |
| 102 | V | 86.6 | Confident | 81.9 | Confident | 83 Ų | 83 | 91.8 Ų | 91.8 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.9 | -46.5 | 176.8 | 168.2 | 0 | 0 | 0 | 0 | 110.5 | A98 S99 F105 L106 | A98-V102 VanDerWaalsContact O-CG2 3.29Å; A98-V102 WeakPolarHBondContact O-CG2 3.5Å; A98-V102 PolarHBondContact O-N 2.81Å; S99-V102 PolarHBondContact O-N 3.41Å; V102-F105 PolarHBondContact O-N 3.38Å; V102-L106 HydrophobicContact CG1-CD1 3.45Å; V102-L106 VanDerWaalsContact CG1-CD1 3.45Å; V102-L106 HydrophobicContact CG1-CG 4.24Å; V102-L106 WeakPolarHBondContact O-CB 3.23Å; V102-L106 WeakPolarHBondContact O-CG 3.28Å; V102-L106 PolarHBondContact O-N 3.49Å |
| 103 | V | 85.6 | Confident | 80.3 | Confident | 70 Ų | 70 | 91.3 Ų | 91.3 | 42% | 0.424 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 177.1 | 169.3 | 0 | 0 | 0 | 0 | 111 | S99 G100 L101 L106 F107 | S99-V103 VanDerWaalsContact O-CB 3.27Å; S99-V103 WeakPolarHBondContact O-CB 3.27Å; S99-V103 WeakPolarHBondContact O-CG2 3.15Å; S99-V103 PolarHBondContact O-N 3.3Å; G100-V103 PolarHBondContact O-N 3.46Å; L101-V103 VanDerWaalsContact C-N 3.29Å; L101-V103 PolarHBondContact O-N 2.77Å; V103-L106 CarbonylContact O-C 3.59Å; V103-L106 PolarHBondContact O-N 3.17Å; V103-F107 HydrophobicContact CG1-CD2 3.3Å; V103-F107 HydrophobicContact CG1-CE2 3.33Å; V103-F107 WeakPolarHBondContact O-CA 3.29Å; V103-F107 VanDerWaalsContact O-CB 3.28Å; V103-F107 WeakPolarHBondContact O-CB 3.18Å; V103-F107 VanDerWaalsContact O-CD2 3.23Å; V103-F107 WeakPolarHBondContact O-CD2 3.05Å; V103-F107 PolarHBondContact O-N 3.4Å |
| 104 | F | 80.8 | Confident | 79 | Confident | 141 Ų | 141 | 89.8 Ų | 89.8 | 62% | 0.618 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.5 | -41.3 | 176.3 | 177.6 | -96.8 | 0 | 0 | 0 | 112.8 | G100 L101 | G100-F104 WeakPolarHBondContact O-CB 3.2Å; G100-F104 PolarHBondContact O-N 2.96Å; L101-F104 PolarHBondContact O-N 2.84Å; L101-F104 VanDerWaalsContact O-N 3.17Å |
| 105 | F | 73.8 | Confident | 77.4 | Confident | 101 Ų | 101 | 89.3 Ų | 89.3 | 44% | 0.443 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.7 | -33.5 | 175.3 | -75.7 | -66.4 | 0 | 0 | 0 | 112.7 | L101 V102 F147 | L101-F105 HydrophobicContact CB-CD2 4.41Å; L101-F105 HydrophobicContact CB-CE2 4.4Å; L101-F105 HydrophobicContact CD2-CE2 4.33Å; L101-F105 WeakPolarHBondContact O-CD2 3.35Å; L101-F105 PolarHBondContact O-N 3.41Å; V102-F105 PolarHBondContact O-N 3.38Å; F105-F147 AromaticContact CD1-CD2 3.89Å; F105-F147 HydrophobicContact CD1-CD2 3.89Å; F105-F147 HydrophobicContact CD1-CE2 4.08Å; F105-F147 HydrophobicContact CD1-CG 4.37Å; F105-F147 HydrophobicContact CE1-CD2 4.09Å; F105-F147 HydrophobicContact CE1-CE1 4.49Å; F105-F147 AromaticContact CE1-CE2 3.93Å; F105-F147 HydrophobicContact CE1-CE2 3.93Å; F105-F147 HydrophobicContact CE1-CG 4.44Å; F105-F147 HydrophobicContact CE1-CZ 4.15Å |
| 106 | L | 70.8 | Confident | 75.9 | Confident | 125 Ų | 125 | 89.4 Ų | 89.4 | 65% | 0.654 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -80.2 | -27 | 176.9 | -72.7 | 171 | 0 | 0 | 0 | 112.7 | V102 V103 P108 | V102-L106 HydrophobicContact CG1-CD1 3.45Å; V102-L106 VanDerWaalsContact CG1-CD1 3.45Å; V102-L106 HydrophobicContact CG1-CG 4.24Å; V102-L106 WeakPolarHBondContact O-CB 3.23Å; V102-L106 WeakPolarHBondContact O-CG 3.28Å; V102-L106 PolarHBondContact O-N 3.49Å; V103-L106 CarbonylContact O-C 3.59Å; V103-L106 PolarHBondContact O-N 3.17Å; L106-P108 VanDerWaalsContact O-CD 3.25Å; L106-P108 WeakPolarHBondContact O-CD 3.4Å; L106-P108 VanDerWaalsContact O-N 3.15Å |
| 107 | F | 67.7 | Low | 74.5 | Confident | 146 Ų | 146 | 85.5 Ų | 85.5 | 64% | 0.64 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -66.1 | 114.9 | 173.8 | -100.8 | -72.6 | 0 | 0 | 0 | 107.4 | V103 H109 | V103-F107 HydrophobicContact CG1-CD2 3.3Å; V103-F107 HydrophobicContact CG1-CE2 3.33Å; V103-F107 WeakPolarHBondContact O-CA 3.29Å; V103-F107 VanDerWaalsContact O-CB 3.28Å; V103-F107 WeakPolarHBondContact O-CB 3.18Å; V103-F107 VanDerWaalsContact O-CD2 3.23Å; V103-F107 WeakPolarHBondContact O-CD2 3.05Å; V103-F107 PolarHBondContact O-N 3.4Å; F107-H109 PolarHBondContact O-N 3.4Å |
| 108 | P | 62.1 | Low | 73.3 | Confident | 86 Ų | 86 | 86 Ų | 86 | 56% | 0.558 | 49% | 0.485 | S | S | * | . | trans | -62.4 | 109.8 | -176.3 | 24.5 | -32.7 | 0 | 0 | 0 | 108.7 | L106 S110 Y148 | L106-P108 VanDerWaalsContact O-CD 3.25Å; L106-P108 WeakPolarHBondContact O-CD 3.4Å; L106-P108 VanDerWaalsContact O-N 3.15Å; P108-S110 PolarHBondContact O-N 3.37Å; P108-Y148 WeakPolarHBondContact CB-OH 3.25Å | ||
| 109 | H | 68.7 | Low | 72.2 | Confident | 110 Ų | 110 | 89 Ų | 89 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 132.3 | 167.9 | -169.3 | -100.2 | 0 | 0 | 0 | 107.8 | F107 V111 S145 | F107-H109 PolarHBondContact O-N 3.4Å; H109-V111 PolarHBondContact O-N 2.93Å; H109-S145 PolarHBondContact CE1-OG 3.19Å; H109-S145 WeakPolarHBondContact ND1-CB 3.36Å; H109-S145 PolarHBondContact ND1-OG 3.04Å |
| 110 | S | 58.8 | Low | 71 | Confident | 90 Ų | 90 | 89.6 Ų | 89.6 | 63% | 0.629 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 125.3 | -174.3 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | P108 L112 S145 | P108-S110 PolarHBondContact O-N 3.37Å; S110-L112 PolarHBondContact O-N 3.27Å; S110-S145 PolarHBondContact O-OG 2.78Å; S110-S145 VanDerWaalsContact O-OG 3.04Å |
| 111 | V | 61.1 | Low | 70.3 | Confident | 57 Ų | 57 | 91.5 Ų | 91.5 | 35% | 0.345 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -64 | 120.7 | 173.4 | 179.4 | 0 | 0 | 0 | 0 | 107.9 | H109 V113 I142 V150 | H109-V111 PolarHBondContact O-N 2.93Å; V111-V113 PolarHBondContact O-N 2.88Å; V111-I142 HydrophobicContact CG1-CG2 3.83Å; V111-V150 HydrophobicContact CG2-CG2 4.47Å |
| 112 | L | 66.1 | Low | 69.9 | Low | 91 Ų | 91 | 93.3 Ų | 93.3 | 48% | 0.476 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 109 | -177 | -171 | 130.2 | 0 | 0 | 0 | 108.6 | S110 D114 R143 | S110-L112 PolarHBondContact O-N 3.27Å; L112-D114 HydrophobicContact CD2-CB 4.35Å; L112-R143 PolarHBondContact N-O 3.24Å; L112-R143 VanDerWaalsContact N-O 3.07Å; L112-R143 WeakPolarHBondContact O-CA 3.33Å; L112-R143 PolarHBondContact O-N 2.83Å; L112-R143 VanDerWaalsContact O-O 3.12Å |
| 113 | V | 62.3 | Low | 69.6 | Low | 83 Ų | 83 | 92.6 Ų | 92.6 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 113.8 | 173.2 | -176.1 | 0 | 0 | 0 | 0 | 107.5 | V111 L140 I142 | V111-V113 PolarHBondContact O-N 2.88Å; V113-L140 HydrophobicContact CG1-CD2 4.31Å; V113-I142 HydrophobicContact CG1-CG1 4.36Å |
| 114 | D | 68.1 | Low | 69.5 | Low | 58 Ų | 58 | 92.1 Ų | 92.1 | 31% | 0.31 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 116.6 | 175.3 | -158.3 | 29.4 | 0 | 0 | 0 | 107.8 | L112 D116 K141 R143 | L112-D114 HydrophobicContact CD2-CB 4.35Å; D114-D116 PolarHBondContact O-N 3.25Å; D114-K141 HydrophobicContact CB-CB 4.31Å; D114-K141 WeakPolarHBondContact CB-O 3.49Å; D114-K141 PolarHBondContact N-O 2.79Å; D114-K141 CarbonylContact O-C 3.57Å; D114-K141 WeakPolarHBondContact O-CA 3.2Å; D114-K141 WeakPolarHBondContact O-CB 2.87Å; D114-K141 PolarHBondContact O-N 2.97Å; D114-K141 VanDerWaalsContact O-O 3.08Å; D114-R143 IonicContact OD1-NH2 3.78Å; D114-R143 IonicContact OD2-CZ 2.71Å; D114-R143 IonicContact OD2-NH1 3.43Å; D114-R143 IonicContact OD2-NH2 3.74Å; D114-R143 PolarHBondContact OD2-NH2 2.84Å |
| 115 | D | 64.1 | Low | 69.5 | Low | 98 Ų | 98 | 92.1 Ų | 92.1 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 112.5 | 172.5 | -163.6 | -41.9 | 0 | 0 | 0 | 107.4 | G117 | D115-G117 PolarHBondContact O-N 3.01Å; D115-G117 WeakPolarHBondContact OD1-CA 2.98Å; D115-G117 PolarHBondContact OD1-N 2.89Å |
| 116 | D | 63.7 | Low | 70 | Confident | 84 Ų | 84 | 89.4 Ų | 89.4 | 45% | 0.449 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 12.5 | 177.4 | -157.9 | 29.3 | 0 | 0 | 0 | 111.2 | D114 K119 T139 | D114-D116 PolarHBondContact O-N 3.25Å; D116-K119 WeakPolarHBondContact OD2-CE 3.49Å; D116-K119 IonicContact OD2-NZ 2.71Å; D116-K119 PolarHBondContact OD2-NZ 3.42Å; D116-T139 PolarHBondContact N-O 3.49Å; D116-T139 VanDerWaalsContact N-O 3.13Å |
| 117 | G | 66.4 | Low | 70.4 | Confident | 28 Ų | 28 | 92.9 Ų | 92.9 | 29% | 0.289 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.9 | -175.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D115 K119 T139 | D115-G117 PolarHBondContact O-N 3.01Å; D115-G117 WeakPolarHBondContact OD1-CA 2.98Å; D115-G117 PolarHBondContact OD1-N 2.89Å; G117-K119 PolarHBondContact O-N 3.02Å; G117-T139 PolarHBondContact O-N 3.48Å |
| 118 | I | 68.6 | Low | 71.1 | Confident | 113 Ų | 113 | 94.5 Ų | 94.5 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 106.9 | 172.8 | -58.6 | 169.6 | 0 | 0 | 0 | 107.6 | V121 I136 | I118-V121 HydrophobicContact CG2-CG2 3.52Å; I118-I136 HydrophobicContact CD1-CG2 4.48Å; I118-I136 HydrophobicContact CG1-CG2 4.41Å; I118-I136 HydrophobicContact CG2-CG2 3.68Å |
| 119 | K | 71.1 | Confident | 72 | Confident | 117 Ų | 117 | 94.9 Ų | 94.9 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -34.3 | -178.8 | -69.8 | -160.9 | 177.1 | -174.2 | 0 | 113 | D116 G117 M137 T139 | D116-K119 WeakPolarHBondContact OD2-CE 3.49Å; D116-K119 IonicContact OD2-NZ 2.71Å; D116-K119 PolarHBondContact OD2-NZ 3.42Å; G117-K119 PolarHBondContact O-N 3.02Å; K119-M137 PolarHBondContact N-O 2.93Å; K119-T139 WeakPolarHBondContact CD-OG1 3.39Å |
| 120 | V | 69.3 | Low | 72.7 | Confident | 65 Ų | 65 | 95.1 Ų | 95.1 | 39% | 0.394 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 131.1 | -175.6 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | M137 | V120-M137 HydrophobicContact CB-CB 4.31Å; V120-M137 HydrophobicContact CB-CE 3.63Å; V120-M137 HydrophobicContact CG1-CE 4.06Å; V120-M137 HydrophobicContact CG2-CE 3.64Å; V120-M137 PolarHBondContact N-O 3.38Å; V120-M137 PolarHBondContact O-N 2.89Å |
| 121 | V | 73.2 | Confident | 73.8 | Confident | 77 Ų | 77 | 95.8 Ų | 95.8 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 111.2 | 166.3 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | I118 V123 T135 I136 | I118-V121 HydrophobicContact CG2-CG2 3.52Å; V121-V123 HydrophobicContact CG1-CG2 4.19Å; V121-T135 CarbonylContact C-O 3.54Å; V121-T135 WeakPolarHBondContact CA-O 3.44Å; V121-I136 HydrophobicContact CG1-CG1 4.27Å; V121-I136 HydrophobicContact CG2-CG1 4.35Å; V121-I136 HydrophobicContact CG2-CG2 4.43Å |
| 122 | K | 80 | Confident | 74.8 | Confident | 137 Ų | 137 | 96.7 Ų | 96.7 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 118.5 | 174 | -173.5 | 176.9 | -179.5 | 177.9 | 0 | 109 | T135 | K122-T135 PolarHBondContact N-O 2.93Å; K122-T135 PolarHBondContact O-N 3.03Å |
| 123 | V | 79.9 | Confident | 75.5 | Confident | 67 Ų | 67 | 96.6 Ų | 96.6 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.4 | 177.4 | -171.2 | 0 | 0 | 0 | 0 | 108.7 | V121 F125 V132 L134 | V121-V123 HydrophobicContact CG1-CG2 4.19Å; V123-F125 HydrophobicContact CB-CE2 4.26Å; V123-F125 HydrophobicContact CG1-CD2 4.17Å; V123-F125 HydrophobicContact CG1-CE1 4.31Å; V123-F125 HydrophobicContact CG1-CE2 3.48Å; V123-F125 VanDerWaalsContact CG1-CE2 3.48Å; V123-F125 HydrophobicContact CG1-CZ 3.56Å; V123-V132 HydrophobicContact CG1-CG1 3.66Å; V123-L134 HydrophobicContact CG1-CG 4.48Å; V123-L134 HydrophobicContact CG2-CG 4.34Å |
| 124 | T | 83.2 | Confident | 76.4 | Confident | 60 Ų | 60 | 97.4 Ų | 97.4 | 37% | 0.368 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.4 | 178.1 | -49.9 | 0 | 0 | 0 | 0 | 108.8 | I133 | T124-I133 PolarHBondContact N-O 3.1Å; T124-I133 PolarHBondContact O-N 2.98Å |
| 125 | F | 80.4 | Confident | 77.1 | Confident | 141 Ų | 141 | 98 Ų | 98 | 62% | 0.618 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 111.1 | 176.8 | -65.5 | -87.2 | 0 | 0 | 0 | 109.3 | V123 V132 | V123-F125 HydrophobicContact CB-CE2 4.26Å; V123-F125 HydrophobicContact CG1-CD2 4.17Å; V123-F125 HydrophobicContact CG1-CE1 4.31Å; V123-F125 HydrophobicContact CG1-CE2 3.48Å; V123-F125 VanDerWaalsContact CG1-CE2 3.48Å; V123-F125 HydrophobicContact CG1-CZ 3.56Å; F125-V132 HydrophobicContact CD1-CB 4.38Å; F125-V132 HydrophobicContact CD1-CG1 3.95Å; F125-V132 HydrophobicContact CD1-CG2 3.7Å; F125-V132 HydrophobicContact CE1-CB 4.38Å; F125-V132 HydrophobicContact CE1-CG1 3.67Å; F125-V132 HydrophobicContact CE1-CG2 3.76Å; F125-V132 HydrophobicContact CZ-CG1 4.2Å |
| 126 | N | 83.4 | Confident | 77.8 | Confident | 44 Ų | 44 | 97.1 Ų | 97.1 | 24% | 0.235 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 105.3 | 171.4 | -174.6 | -16.2 | 0 | 0 | 0 | 108.8 | Q128 D129 S130 L131 | N126-Q128 VanDerWaalsContact C-N 3.31Å; N126-Q128 PolarHBondContact O-N 3.07Å; N126-Q128 WeakPolarHBondContact OD1-CB 3Å; N126-Q128 PolarHBondContact OD1-N 3.47Å; N126-D129 PolarHBondContact ND2-OD2 2.93Å; N126-D129 PolarHBondContact OD1-N 3.44Å; N126-S130 WeakPolarHBondContact O-CA 3.49Å; N126-S130 PolarHBondContact O-N 3.34Å; N126-S130 VanDerWaalsContact O-N 3.09Å; N126-L131 PolarHBondContact N-O 3.36Å; N126-L131 PolarHBondContact O-N 2.71Å |
| 127 | K | 80.8 | Confident | 78.5 | Confident | 199 Ų | 199 | 98.3 Ų | 98.3 | 87% | 0.865 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -22 | -179.2 | -68.8 | -174.1 | 178.9 | -179.6 | 0 | 113.5 | ||
| 128 | Q | 82.2 | Confident | 79.1 | Confident | 180 Ų | 180 | 99.7 Ų | 99.7 | 84% | 0.841 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -38.1 | -179 | -75.6 | 151.3 | -19.6 | 0 | 0 | 111.3 | N126 | N126-Q128 VanDerWaalsContact C-N 3.31Å; N126-Q128 PolarHBondContact O-N 3.07Å; N126-Q128 WeakPolarHBondContact OD1-CB 3Å; N126-Q128 PolarHBondContact OD1-N 3.47Å |
| 129 | D | 81.1 | Confident | 79.4 | Confident | 94 Ų | 94 | 97 Ų | 97 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -0.1 | -178.4 | -56.6 | -45.2 | 0 | 0 | 0 | 113.1 | N126 L131 | N126-D129 PolarHBondContact ND2-OD2 2.93Å; N126-D129 PolarHBondContact OD1-N 3.44Å; D129-L131 HydrophobicContact CB-CB 4.34Å; D129-L131 HydrophobicContact CB-CD1 3.69Å; D129-L131 HydrophobicContact CB-CG 3.95Å; D129-L131 PolarHBondContact O-N 2.66Å; D129-L131 VanDerWaalsContact O-N 3.17Å |
| 130 | S | 82.4 | Confident | 79.7 | Confident | 114 Ų | 114 | 95.2 Ų | 95.2 | 80% | 0.797 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 29.3 | -172.1 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | N126 | N126-S130 WeakPolarHBondContact O-CA 3.49Å; N126-S130 PolarHBondContact O-N 3.34Å; N126-S130 VanDerWaalsContact O-N 3.09Å |
| 131 | L | 82.3 | Confident | 80.1 | Confident | 104 Ų | 104 | 97.1 Ų | 97.1 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 140.1 | -178.1 | -69.4 | 168.2 | 0 | 0 | 0 | 111.3 | N126 D129 | N126-L131 PolarHBondContact N-O 3.36Å; N126-L131 PolarHBondContact O-N 2.71Å; D129-L131 HydrophobicContact CB-CB 4.34Å; D129-L131 HydrophobicContact CB-CD1 3.69Å; D129-L131 HydrophobicContact CB-CG 3.95Å; D129-L131 PolarHBondContact O-N 2.66Å; D129-L131 VanDerWaalsContact O-N 3.17Å |
| 132 | V | 82.1 | Confident | 80.2 | Confident | 77 Ų | 77 | 96.4 Ų | 96.4 | 47% | 0.467 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 115.1 | 172.5 | -170.6 | 0 | 0 | 0 | 0 | 108.4 | V123 F125 L134 | V123-V132 HydrophobicContact CG1-CG1 3.66Å; F125-V132 HydrophobicContact CD1-CB 4.38Å; F125-V132 HydrophobicContact CD1-CG1 3.95Å; F125-V132 HydrophobicContact CD1-CG2 3.7Å; F125-V132 HydrophobicContact CE1-CB 4.38Å; F125-V132 HydrophobicContact CE1-CG1 3.67Å; F125-V132 HydrophobicContact CE1-CG2 3.76Å; F125-V132 HydrophobicContact CZ-CG1 4.2Å; V132-L134 HydrophobicContact CB-CD1 4.42Å; V132-L134 HydrophobicContact CG1-CD1 3.76Å |
| 133 | I | 82 | Confident | 80 | Confident | 89 Ų | 89 | 95.1 Ų | 95.1 | 46% | 0.456 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 117 | -180 | -58.4 | 171.6 | 0 | 0 | 0 | 108.2 | T124 | T124-I133 PolarHBondContact N-O 3.1Å; T124-I133 PolarHBondContact O-N 2.98Å |
| 134 | L | 81 | Confident | 79.9 | Confident | 100 Ų | 100 | 93.7 Ų | 93.7 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114.6 | 174.9 | -72 | 85.3 | 0 | 0 | 0 | 109.3 | V123 V132 | V123-L134 HydrophobicContact CG1-CG 4.48Å; V123-L134 HydrophobicContact CG2-CG 4.34Å; V132-L134 HydrophobicContact CB-CD1 4.42Å; V132-L134 HydrophobicContact CG1-CD1 3.76Å |
| 135 | T | 82.5 | Confident | 79.5 | Confident | 71 Ų | 71 | 93.2 Ų | 93.2 | 44% | 0.436 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 112.8 | 172.6 | -52.4 | 0 | 0 | 0 | 0 | 108.9 | V121 K122 | V121-T135 CarbonylContact C-O 3.54Å; V121-T135 WeakPolarHBondContact CA-O 3.44Å; K122-T135 PolarHBondContact N-O 2.93Å; K122-T135 PolarHBondContact O-N 3.03Å |
| 136 | I | 78.1 | Confident | 79.2 | Confident | 78 Ų | 78 | 87.5 Ų | 87.5 | 40% | 0.4 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124.8 | -177.3 | -56.9 | 173.7 | 0 | 0 | 0 | 108.3 | I118 V121 | I118-I136 HydrophobicContact CD1-CG2 4.48Å; I118-I136 HydrophobicContact CG1-CG2 4.41Å; I118-I136 HydrophobicContact CG2-CG2 3.68Å; V121-I136 HydrophobicContact CG1-CG1 4.27Å; V121-I136 HydrophobicContact CG2-CG1 4.35Å; V121-I136 HydrophobicContact CG2-CG2 4.43Å |
| 137 | M | 78.8 | Confident | 78.6 | Confident | 109 Ų | 109 | 93.3 Ų | 93.3 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.9 | 171.8 | -63.8 | -163.5 | -61 | 0 | 0 | 109.9 | K119 V120 | K119-M137 PolarHBondContact N-O 2.93Å; V120-M137 HydrophobicContact CB-CB 4.31Å; V120-M137 HydrophobicContact CB-CE 3.63Å; V120-M137 HydrophobicContact CG1-CE 4.06Å; V120-M137 HydrophobicContact CG2-CE 3.64Å; V120-M137 PolarHBondContact N-O 3.38Å; V120-M137 PolarHBondContact O-N 2.89Å |
| 138 | A | 78.6 | Confident | 78.2 | Confident | 57 Ų | 57 | 89 Ų | 89 | 47% | 0.471 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 138.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 139 | T | 75.9 | Confident | 77.7 | Confident | 58 Ų | 58 | 86.1 Ų | 86.1 | 36% | 0.356 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 112.4 | 178.5 | -55.3 | 0 | 0 | 0 | 0 | 109.2 | D116 G117 K119 | D116-T139 PolarHBondContact N-O 3.49Å; D116-T139 VanDerWaalsContact N-O 3.13Å; G117-T139 PolarHBondContact O-N 3.48Å; K119-T139 WeakPolarHBondContact CD-OG1 3.39Å |
| 140 | L | 77.1 | Confident | 77.4 | Confident | 78 Ų | 78 | 83.8 Ų | 83.8 | 41% | 0.408 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.9 | 172.7 | -78.8 | 87.9 | 0 | 0 | 0 | 109.9 | V113 L155 | V113-L140 HydrophobicContact CG1-CD2 4.31Å; L140-L155 HydrophobicContact CD2-CD1 4.37Å |
| 141 | K | 77 | Confident | 77 | Confident | 106 Ų | 106 | 80.9 Ų | 80.9 | 46% | 0.461 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 102.7 | 178 | -175.9 | 179 | -177 | 175 | 0 | 109.7 | D114 | D114-K141 HydrophobicContact CB-CB 4.31Å; D114-K141 WeakPolarHBondContact CB-O 3.49Å; D114-K141 PolarHBondContact N-O 2.79Å; D114-K141 CarbonylContact O-C 3.57Å; D114-K141 WeakPolarHBondContact O-CA 3.2Å; D114-K141 WeakPolarHBondContact O-CB 2.87Å; D114-K141 PolarHBondContact O-N 2.97Å; D114-K141 VanDerWaalsContact O-O 3.08Å |
| 142 | I | 76.1 | Confident | 76.7 | Confident | 62 Ų | 62 | 77.6 Ų | 77.6 | 32% | 0.318 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 118.4 | 179.3 | -57.1 | 173.3 | 0 | 0 | 0 | 108.5 | V111 V113 V152 | V111-I142 HydrophobicContact CG1-CG2 3.83Å; V113-I142 HydrophobicContact CG1-CG1 4.36Å; I142-V152 HydrophobicContact CD1-CG2 3.92Å |
| 143 | R | 75.8 | Confident | 76.5 | Confident | 110 Ų | 110 | 79 Ų | 79 | 42% | 0.415 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 115.6 | 172.9 | -72.6 | -169.6 | -75.6 | -134.6 | -10.7 | 109.9 | L112 D114 S145 | L112-R143 PolarHBondContact N-O 3.24Å; L112-R143 VanDerWaalsContact N-O 3.07Å; L112-R143 WeakPolarHBondContact O-CA 3.33Å; L112-R143 PolarHBondContact O-N 2.83Å; L112-R143 VanDerWaalsContact O-O 3.12Å; D114-R143 IonicContact OD1-NH2 3.78Å; D114-R143 IonicContact OD2-CZ 2.71Å; D114-R143 IonicContact OD2-NH1 3.43Å; D114-R143 IonicContact OD2-NH2 3.74Å; D114-R143 PolarHBondContact OD2-NH2 2.84Å; R143-S145 PolarHBondContact O-N 3.5Å |
| 144 | N | 77.9 | Confident | 76.3 | Confident | 37 Ų | 37 | 78.3 Ų | 78.3 | 20% | 0.198 | 43% | 0.427 | C | S | . | . | trans | -85.5 | 109 | 172.5 | -173.3 | 8 | 0 | 0 | 0 | 109.7 | N146 Y148 V150 Y180 | N144-N146 VanDerWaalsContact C-N 3.28Å; N144-N146 WeakPolarHBondContact OD1-CA 3.39Å; N144-N146 WeakPolarHBondContact OD1-CB 3.43Å; N144-N146 PolarHBondContact OD1-N 2.81Å; N144-Y148 PolarHBondContact ND2-O 2.71Å; N144-V150 PolarHBondContact ND2-N 3.2Å; N144-Y180 HydrophobicContact CB-CE2 4.42Å; N144-Y180 PolarHBondContact ND2-OH 2.75Å | ||
| 145 | S | 75 | Confident | 76.2 | Confident | 50 Ų | 50 | 75.6 Ų | 75.6 | 35% | 0.35 | 41% | 0.413 | S | S | . | . | trans | -90 | 5.5 | 175.9 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | H109 S110 R143 | H109-S145 PolarHBondContact CE1-OG 3.19Å; H109-S145 WeakPolarHBondContact ND1-CB 3.36Å; H109-S145 PolarHBondContact ND1-OG 3.04Å; S110-S145 PolarHBondContact O-OG 2.78Å; S110-S145 VanDerWaalsContact O-OG 3.04Å; R143-S145 PolarHBondContact O-N 3.5Å | ||
| 146 | N | 74 | Confident | 76 | Confident | 21 Ų | 21 | 77.1 Ų | 77.1 | 11% | 0.112 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -87.3 | 152.6 | -177.6 | -147.4 | -43.6 | 0 | 0 | 0 | 111.7 | N144 Y148 | N144-N146 VanDerWaalsContact C-N 3.28Å; N144-N146 WeakPolarHBondContact OD1-CA 3.39Å; N144-N146 WeakPolarHBondContact OD1-CB 3.43Å; N144-N146 PolarHBondContact OD1-N 2.81Å; N146-Y148 VanDerWaalsContact CG-CZ 3.41Å; N146-Y148 VanDerWaalsContact ND2-CE1 3.33Å; N146-Y148 WeakPolarHBondContact ND2-CE1 3.36Å; N146-Y148 PolarHBondContact ND2-OH 3.41Å; N146-Y148 PolarHBondContact O-N 3.21Å; N146-Y148 WeakPolarHBondContact OD1-CD1 3.5Å; N146-Y148 WeakPolarHBondContact OD1-CE1 3.43Å |
| 147 | F | 70.6 | Confident | 75.9 | Confident | 166 Ų | 166 | 76 Ų | 76 | 73% | 0.728 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -77.5 | -3.6 | 177.6 | -65.3 | -83.9 | 0 | 0 | 0 | 112.9 | F105 | F105-F147 AromaticContact CD1-CD2 3.89Å; F105-F147 HydrophobicContact CD1-CD2 3.89Å; F105-F147 HydrophobicContact CD1-CE2 4.08Å; F105-F147 HydrophobicContact CD1-CG 4.37Å; F105-F147 HydrophobicContact CE1-CD2 4.09Å; F105-F147 HydrophobicContact CE1-CE1 4.49Å; F105-F147 AromaticContact CE1-CE2 3.93Å; F105-F147 HydrophobicContact CE1-CE2 3.93Å; F105-F147 HydrophobicContact CE1-CG 4.44Å; F105-F147 HydrophobicContact CE1-CZ 4.15Å |
| 148 | Y | 72.5 | Confident | 76 | Confident | 108 Ų | 108 | 76.7 Ų | 76.7 | 42% | 0.424 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -123.2 | 158.5 | 175.5 | 56.5 | -100.2 | 0 | 0 | 0 | 112.8 | P108 N144 N146 V150 | P108-Y148 WeakPolarHBondContact CB-OH 3.25Å; N144-Y148 PolarHBondContact ND2-O 2.71Å; N146-Y148 VanDerWaalsContact CG-CZ 3.41Å; N146-Y148 VanDerWaalsContact ND2-CE1 3.33Å; N146-Y148 WeakPolarHBondContact ND2-CE1 3.36Å; N146-Y148 PolarHBondContact ND2-OH 3.41Å; N146-Y148 PolarHBondContact O-N 3.21Å; N146-Y148 WeakPolarHBondContact OD1-CD1 3.5Å; N146-Y148 WeakPolarHBondContact OD1-CE1 3.43Å; Y148-V150 HydrophobicContact CD2-CG2 3.86Å; Y148-V150 HydrophobicContact CE2-CG2 3.68Å; Y148-V150 PolarHBondContact O-N 3.23Å |
| 149 | T | 71.5 | Confident | 76 | Confident | 120 Ų | 120 | 77 Ų | 77 | 74% | 0.736 | 42% | 0.42 | S | S | * | . | trans | -70 | 127.7 | 177.4 | 46.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 150 | V | 74.7 | Confident | 76.3 | Confident | 45 Ų | 45 | 79.5 Ų | 79.5 | 27% | 0.273 | 43% | 0.428 | S | S | . | . | trans | -113 | 128.1 | 176.2 | 179.9 | 0 | 0 | 0 | 0 | 107.8 | V111 N144 Y148 Y180 | V111-V150 HydrophobicContact CG2-CG2 4.47Å; N144-V150 PolarHBondContact ND2-N 3.2Å; Y148-V150 HydrophobicContact CD2-CG2 3.86Å; Y148-V150 HydrophobicContact CE2-CG2 3.68Å; Y148-V150 PolarHBondContact O-N 3.23Å; V150-Y180 PolarHBondContact O-OH 3.27Å | ||
| 151 | A | 74.4 | Confident | 76.4 | Confident | 53 Ų | 53 | 83.2 Ų | 83.2 | 44% | 0.438 | 44% | 0.438 | S | S | . | . | trans | -93 | 133.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 152 | V | 75.3 | Confident | 76.6 | Confident | 34 Ų | 34 | 85.4 Ų | 85.4 | 21% | 0.206 | 45% | 0.451 | C | S | . | . | trans | -80.9 | 121 | 171 | -178.7 | 0 | 0 | 0 | 0 | 107.2 | I142 M174 F178 | I142-V152 HydrophobicContact CD1-CG2 3.92Å; V152-M174 HydrophobicContact CB-CB 4.42Å; V152-M174 HydrophobicContact CB-SD 3.86Å; V152-M174 HydrophobicContact CG1-CB 4.49Å; V152-M174 HydrophobicContact CG1-SD 3.6Å; V152-M174 WeakPolarHBondContact O-CB 2.9Å; V152-F178 HydrophobicContact CB-CE2 4.32Å | ||
| 153 | T | 77.8 | Confident | 76.8 | Confident | 108 Ų | 108 | 89.7 Ų | 89.7 | 66% | 0.663 | 48% | 0.475 | S | S | * | . | trans | -91.7 | -45.9 | -176.6 | 50.7 | 0 | 0 | 0 | 0 | 112.1 | M174 | T153-M174 PolarHBondContact O-N 3.38Š| ||
| 154 | S | 78.5 | Confident | 77.1 | Confident | 74 Ų | 74 | 88.6 Ų | 88.6 | 52% | 0.517 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 134.4 | -179.4 | 60.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 155 | L | 77.7 | Confident | 77.2 | Confident | 42 Ų | 42 | 90 Ų | 90 | 22% | 0.22 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124.1 | 170.6 | -173.7 | 146.7 | 0 | 0 | 0 | 108.8 | L140 A172 M174 | L140-L155 HydrophobicContact CD2-CD1 4.37Å; L155-A172 HydrophobicContact CB-CB 4.42Å; L155-A172 PolarHBondContact N-O 3.01Å; L155-A172 PolarHBondContact O-N 3.13Å; L155-M174 HydrophobicContact CB-CE 4.49Å; L155-M174 HydrophobicContact CD1-CE 4.02Å |
| 156 | S | 78.1 | Confident | 77.3 | Confident | 104 Ų | 104 | 90.9 Ų | 90.9 | 73% | 0.727 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.3 | 174.1 | 59.6 | 0 | 0 | 0 | 0 | 109.8 | G170 | S156-G170 WeakPolarHBondContact CA-O 3.2Å |
| 157 | S | 76.6 | Confident | 77 | Confident | 54 Ų | 54 | 97.7 Ų | 97.7 | 38% | 0.378 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.4 | 174.1 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | G170 | S157-G170 PolarHBondContact N-O 3.34Å; S157-G170 PolarHBondContact O-N 3.33Å; S157-G170 VanDerWaalsContact O-N 3.1Å |
| 158 | Q | 80.7 | Confident | 77 | Confident | 124 Ų | 124 | 95 Ų | 95 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 133 | 174.8 | -177.4 | 176.4 | 81.1 | 0 | 0 | 108.9 | V165 | Q158-V165 HydrophobicContact CG-CG1 3.68Å |
| 159 | I | 79.3 | Confident | 76.9 | Confident | 62 Ų | 62 | 95 Ų | 95 | 32% | 0.318 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 119.5 | 178.6 | -59.2 | 174.2 | 0 | 0 | 0 | 108.5 | V166 F168 | I159-V166 WeakPolarHBondContact O-CB 3.4Å; I159-V166 PolarHBondContact O-N 2.82Å; I159-F168 HydrophobicContact CD1-CB 4.46Å; I159-F168 HydrophobicContact CD1-CD1 3.42Å; I159-F168 VanDerWaalsContact CD1-CD1 3.42Å; I159-F168 HydrophobicContact CD1-CE1 3.78Å; I159-F168 HydrophobicContact CD1-CG 4Å; I159-F168 HydrophobicContact CG1-CD1 3.77Å; I159-F168 HydrophobicContact CG1-CE1 4.39Å |
| 160 | Q | 82.1 | Confident | 76.7 | Confident | 111 Ų | 111 | 90.5 Ų | 90.5 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 131.1 | 174.6 | -172.8 | 175.9 | 7.2 | 0 | 0 | 109.7 | M162 | Q160-M162 PolarHBondContact NE2-O 2.67Å |
| 161 | Y | 78.9 | Confident | 76.5 | Confident | 156 Ų | 156 | 95.2 Ų | 95.2 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 114.9 | 171.2 | -179 | -101.7 | 0 | 0 | 0 | 109 | N163 T164 | Y161-N163 PolarHBondContact O-N 3.43Å; Y161-T164 PolarHBondContact N-O 2.81Å; Y161-T164 PolarHBondContact O-N 2.84Å; Y161-T164 PolarHBondContact O-OG1 3.07Å |
| 162 | M | 81 | Confident | 76.2 | Confident | 152 Ų | 152 | 94.6 Ų | 94.6 | 75% | 0.749 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | -107.3 | -173.4 | -60.6 | -65.6 | 175.7 | 0 | 0 | 111.4 | Q160 | Q160-M162 PolarHBondContact NE2-O 2.67Š|
| 163 | N | 81.4 | Confident | 76 | Confident | 152 Ų | 152 | 99.8 Ų | 99.8 | 81% | 0.813 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | 9.2 | 178 | -127.5 | 17.8 | 0 | 0 | 0 | 113.4 | Y161 | Y161-N163 PolarHBondContact O-N 3.43Š|
| 164 | T | 81.1 | Confident | 75.5 | Confident | 88 Ų | 88 | 97.4 Ų | 97.4 | 54% | 0.54 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 122.4 | 177.8 | 48.8 | 0 | 0 | 0 | 0 | 109.7 | Y161 V166 | Y161-T164 PolarHBondContact N-O 2.81Å; Y161-T164 PolarHBondContact O-N 2.84Å; Y161-T164 PolarHBondContact O-OG1 3.07Å; T164-V166 PolarHBondContact O-N 2.83Å |
| 165 | V | 79.3 | Confident | 74.2 | Confident | 65 Ų | 65 | 98.1 Ų | 98.1 | 39% | 0.394 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 116.8 | 169 | 176.5 | 0 | 0 | 0 | 0 | 107.2 | Q158 N167 | Q158-V165 HydrophobicContact CG-CG1 3.68Å; V165-N167 PolarHBondContact O-N 2.84Å |
| 166 | V | 78.5 | Confident | 73.3 | Confident | 70 Ų | 70 | 97.8 Ų | 97.8 | 42% | 0.424 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 122.5 | 167.6 | -174.8 | 0 | 0 | 0 | 0 | 104.6 | I159 T164 F168 | I159-V166 WeakPolarHBondContact O-CB 3.4Å; I159-V166 PolarHBondContact O-N 2.82Å; T164-V166 PolarHBondContact O-N 2.83Å; V166-F168 PolarHBondContact O-N 3.17Å |
| 167 | N | 67.6 | Low | 71.9 | Confident | 163 Ų | 163 | 97.8 Ų | 97.8 | 87% | 0.872 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 80 | 179 | -97 | -14.7 | 0 | 0 | 0 | 109.8 | V165 | V165-N167 PolarHBondContact O-N 2.84Å |
| 168 | F | 69.9 | Low | 70.8 | Confident | 110 Ų | 110 | 100 Ų | 100 | 48% | 0.482 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 111.3 | 177.2 | -178.3 | -93.6 | 0 | 0 | 0 | 106.2 | I159 V166 | I159-F168 HydrophobicContact CD1-CB 4.46Å; I159-F168 HydrophobicContact CD1-CD1 3.42Å; I159-F168 VanDerWaalsContact CD1-CD1 3.42Å; I159-F168 HydrophobicContact CD1-CE1 3.78Å; I159-F168 HydrophobicContact CD1-CG 4Å; I159-F168 HydrophobicContact CG1-CD1 3.77Å; I159-F168 HydrophobicContact CG1-CE1 4.39Å; V166-F168 PolarHBondContact O-N 3.17Å |
| 169 | T | 70.2 | Confident | 68.9 | Low | 109 Ų | 109 | 99.7 Ų | 99.7 | 67% | 0.669 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.6 | 102.3 | 176.4 | -54.5 | 0 | 0 | 0 | 0 | 107.1 | ||
| 170 | G | 67.1 | Low | 67.4 | Low | 24 Ų | 24 | 102.4 Ų | 102.4 | 25% | 0.247 | 57% | 0.568 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.9 | 110.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109 | S156 S157 | S156-G170 WeakPolarHBondContact CA-O 3.2Å; S157-G170 PolarHBondContact N-O 3.34Å; S157-G170 PolarHBondContact O-N 3.33Å; S157-G170 VanDerWaalsContact O-N 3.1Å |
| 171 | K | 70.2 | Confident | 65 | Low | 144 Ų | 144 | 107.4 Ų | 107.4 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 114 | 169.6 | -167.5 | -167.4 | -175.1 | -156 | 0 | 108 | E173 | K171-E173 WeakPolarHBondContact CE-OE1 3.47Å; K171-E173 IonicContact NZ-OE1 2.67Å; K171-E173 PolarHBondContact NZ-OE1 3.09Å |
| 172 | A | 68.2 | Low | 64.3 | Low | 41 Ų | 41 | 105 Ų | 105 | 34% | 0.339 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.7 | 122 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | L155 | L155-A172 HydrophobicContact CB-CB 4.42Å; L155-A172 PolarHBondContact N-O 3.01Å; L155-A172 PolarHBondContact O-N 3.13Å |
| 173 | E | 71.8 | Confident | 63.4 | Low | 143 Ų | 143 | 102.5 Ų | 102.5 | 67% | 0.668 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.3 | 114.3 | 171.2 | -65.4 | -175.4 | 167.2 | 0 | 0 | 107.4 | K171 G175 | K171-E173 WeakPolarHBondContact CE-OE1 3.47Å; K171-E173 IonicContact NZ-OE1 2.67Å; K171-E173 PolarHBondContact NZ-OE1 3.09Å; E173-G175 PolarHBondContact O-N 3.25Å |
| 174 | M | 67.8 | Low | 62.4 | Low | 58 Ų | 58 | 99.7 Ų | 99.7 | 29% | 0.286 | 59% | 0.586 | S | S | . | * | trans | -93.7 | 98.2 | 179.3 | -72.3 | -179.6 | 175.6 | 0 | 0 | 108.3 | V152 T153 L155 G176 F178 | V152-M174 HydrophobicContact CB-CB 4.42Å; V152-M174 HydrophobicContact CB-SD 3.86Å; V152-M174 HydrophobicContact CG1-CB 4.49Å; V152-M174 HydrophobicContact CG1-SD 3.6Å; V152-M174 WeakPolarHBondContact O-CB 2.9Å; T153-M174 PolarHBondContact O-N 3.38Å; L155-M174 HydrophobicContact CB-CE 4.49Å; L155-M174 HydrophobicContact CD1-CE 4.02Å; M174-G176 PolarHBondContact O-N 2.91Å; M174-F178 HydrophobicContact CB-CE2 3.56Å; M174-F178 HydrophobicContact CB-CZ 3.81Å; M174-F178 HydrophobicContact CE-CZ 4.49Å; M174-F178 HydrophobicContact CG-CE2 3.85Å; M174-F178 HydrophobicContact CG-CZ 3.77Å; M174-F178 HydrophobicContact SD-CE2 3.43Å; M174-F178 WeakPolarHBondContact SD-CE2 3.48Å; M174-F178 HydrophobicContact SD-CZ 3.56Å; M174-F178 VanDerWaalsContact SD-CZ 3.56Å | ||
| 175 | G | 50.2 | Low | 61.3 | Low | 88 Ų | 88 | 100.4 Ų | 100.4 | 91% | 0.907 | 59% | 0.588 | S | S | * | * | trans | -76.7 | 100.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E173 | E173-G175 PolarHBondContact O-N 3.25Š| ||
| 176 | G | 58.6 | Low | 60.2 | Low | 36 Ų | 36 | 102.6 Ų | 102.6 | 37% | 0.371 | 60% | 0.6 | S | S | . | * | S | Bend | trans | 118.8 | 165.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | M174 F178 | M174-G176 PolarHBondContact O-N 2.91Å; G176-F178 PolarHBondContact O-N 3.38Å |
| 177 | P | 49.8 | Very low | 59 | Low | 104 Ų | 104 | 104.8 Ų | 104.8 | 68% | 0.675 | 61% | 0.612 | S | S | * | * | trans | -68.1 | 116.3 | 176.2 | 28 | -31.3 | 0 | 0 | 0 | 109.1 | S179 | P177-S179 PolarHBondContact O-N 3Å; P177-S179 VanDerWaalsContact O-N 3.07Å | ||
| 178 | F | 53.1 | Low | 58.4 | Low | 99 Ų | 99 | 100.6 Ų | 100.6 | 43% | 0.434 | 59% | 0.594 | S | S | . | * | trans | -69 | 105.2 | 167.4 | -70.7 | -83.7 | 0 | 0 | 0 | 108.2 | V152 M174 G176 Y180 | V152-F178 HydrophobicContact CB-CE2 4.32Å; M174-F178 HydrophobicContact CB-CE2 3.56Å; M174-F178 HydrophobicContact CB-CZ 3.81Å; M174-F178 HydrophobicContact CE-CZ 4.49Å; M174-F178 HydrophobicContact CG-CE2 3.85Å; M174-F178 HydrophobicContact CG-CZ 3.77Å; M174-F178 HydrophobicContact SD-CE2 3.43Å; M174-F178 WeakPolarHBondContact SD-CE2 3.48Å; M174-F178 HydrophobicContact SD-CZ 3.56Å; M174-F178 VanDerWaalsContact SD-CZ 3.56Å; G176-F178 PolarHBondContact O-N 3.38Å; F178-Y180 HydrophobicContact CB-CD1 4.1Å; F178-Y180 HydrophobicContact CB-CE1 4.03Å; F178-Y180 WeakPolarHBondContact O-CD1 3.39Å; F178-Y180 WeakPolarHBondContact O-CE1 3.45Å; F178-Y180 PolarHBondContact O-N 3.48Å | ||
| 179 | S | 40.2 | Very low | 57.5 | Low | 119 Ų | 119 | 99.9 Ų | 99.9 | 83% | 0.832 | 60% | 0.602 | S | S | * | * | trans | -75.3 | 102.4 | 162.9 | -79.6 | 0 | 0 | 0 | 0 | 108.1 | P177 | P177-S179 PolarHBondContact O-N 3Å; P177-S179 VanDerWaalsContact O-N 3.07Å | ||
| 180 | Y | 47.7 | Very low | 56.5 | Low | 118 Ų | 118 | 99.2 Ų | 99.2 | 46% | 0.463 | 60% | 0.597 | S | S | . | * | trans | -84.7 | 122.5 | 165.6 | 13.3 | -96.6 | 0 | 0 | 0 | 108 | N144 V150 F178 | N144-Y180 HydrophobicContact CB-CE2 4.42Å; N144-Y180 PolarHBondContact ND2-OH 2.75Å; V150-Y180 PolarHBondContact O-OH 3.27Å; F178-Y180 HydrophobicContact CB-CD1 4.1Å; F178-Y180 HydrophobicContact CB-CE1 4.03Å; F178-Y180 WeakPolarHBondContact O-CD1 3.39Å; F178-Y180 WeakPolarHBondContact O-CE1 3.45Å; F178-Y180 PolarHBondContact O-N 3.48Å | ||
| 181 | V | 32.9 | Very low | 55.5 | Low | 216 Ų | 216 | 106 Ų | 106 | 100% | 1.309 | 63% | 0.628 | S | S | * | * | trans | -78.3 | 0 | 165 | 177.6 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 181 of 181 residues in 37.2 ms
(Link to these results)