| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.2 | Very low | 37.6 | Very low | 251 Ų | 251 | 145.2 Ų | 145.2 | 100% | 1.236 | 82% | 0.821 | S | S | * | * | 0 | 126.4 | 0 | -82.5 | 178.6 | -130.2 | 0 | 0 | 107.1 | |||||
| 2 | A | 33.2 | Very low | 37.9 | Very low | 96 Ų | 96 | 146.9 Ų | 146.9 | 79% | 0.793 | 83% | 0.825 | S | S | * | * | cis | -166.6 | 139.6 | -22.1 | 0 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 3 | F | 35.1 | Very low | 39 | Very low | 196 Ų | 196 | 144.5 Ų | 144.5 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -82 | 156.8 | 161.2 | -71.1 | -82.1 | 0 | 0 | 0 | 109.1 | ||||
| 4 | P | 43.5 | Very low | 39.6 | Very low | 119 Ų | 119 | 140 Ų | 140 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | -143.8 | 151.3 | 90.4 | 20.2 | 4.5 | 0 | 0 | 0 | 114.1 | |||||
| 5 | F | 32.3 | Very low | 39.9 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | 81.8 | 115.7 | 69.5 | -87.8 | -95 | 0 | 0 | 0 | 117.9 | |||||
| 6 | F | 30 | Very low | 40.1 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | 80.6 | 132 | 136 | -97.4 | -113.1 | 0 | 0 | 0 | 127 | ||||
| 7 | N | 33.2 | Very low | 40.7 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -19.1 | 172.6 | 157.7 | -112.3 | -4.6 | 0 | 0 | 0 | 120.9 | ||||
| 8 | P | 42.1 | Very low | 41 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | cis | -143.9 | -177.4 | 24.3 | 37.4 | -13.5 | 0 | 0 | 0 | 117.9 | ||||
| 9 | A | 39.7 | Very low | 41.1 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | -70 | 165.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 10 | P | 42.4 | Very low | 41.4 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | -138.7 | 156.2 | 124.4 | 33.9 | -18.2 | 0 | 0 | 0 | 115.6 | |||||
| 11 | S | 45.4 | Very low | 41.7 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | trans | -61.1 | 138.2 | 175.9 | 50.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 12 | L | 41.7 | Very low | 42.1 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 87% | 0.869 | 74% | 0.735 | S | S | * | * | trans | -141.6 | 75.3 | 156.2 | -92.7 | 164.4 | 0 | 0 | 0 | 110.1 | ||||
| 13 | V | 51.6 | Low | 42.6 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 70% | 0.697 | 74% | 0.735 | S | S | * | * | trans | -85.9 | 97.8 | 160.7 | 177.1 | 0 | 0 | 0 | 0 | 106.1 | I17 | V13-I17 HydrophobicContact CG1-CD1 3.75Š| ||
| 14 | P | 48.1 | Very low | 43.2 | Very low | 82 Ų | 82 | 131.6 Ų | 131.6 | 53% | 0.532 | 73% | 0.729 | S | S | . | * | S | Bend | trans | -151 | 4.8 | 136.7 | 30.7 | -9.7 | 0 | 0 | 0 | 117 | ||
| 15 | Q | 43.4 | Very low | 43.6 | Very low | 183 Ų | 183 | 133 Ų | 133 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -103.4 | -12.3 | -174.8 | -74.6 | -169.7 | -23.2 | 0 | 0 | 116 | ||
| 16 | L | 43.2 | Very low | 44.2 | Very low | 144 Ų | 144 | 127.9 Ų | 127.9 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -92 | -10.1 | 180 | -152.8 | 71.4 | 0 | 0 | 0 | 114.1 | V20 | L16-V20 WeakPolarHBondContact O-CG2 3.46Š|
| 17 | I | 51.3 | Low | 45 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 58% | 0.579 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -83.4 | -26.5 | -174.2 | -63.5 | 172.9 | 0 | 0 | 0 | 112 | V13 | V13-I17 HydrophobicContact CG1-CD1 3.75Å |
| 18 | F | 45.1 | Very low | 45.6 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -81.6 | -19.3 | -178.1 | -98.1 | -84.8 | 0 | 0 | 0 | 114.9 | ||
| 19 | L | 43 | Very low | 46 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -87.2 | -21 | 176.1 | -126.9 | 92.5 | 0 | 0 | 0 | 113.4 | ||
| 20 | V | 48.5 | Very low | 46.4 | Very low | 91 Ų | 91 | 132.7 Ų | 132.7 | 55% | 0.552 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -85.4 | -25.9 | 179.2 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | L16 | L16-V20 WeakPolarHBondContact O-CG2 3.46Å |
| 21 | G | 46.3 | Very low | 46.6 | Very low | 44 Ų | 44 | 132.1 Ų | 132.1 | 45% | 0.454 | 73% | 0.733 | S | S | . | * | S | Bend | trans | -72.5 | -26.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 22 | L | 45.2 | Very low | 46.5 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 82% | 0.817 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -91.6 | -10.9 | -176.4 | -133.8 | 95.1 | 0 | 0 | 0 | 114.4 | ||
| 23 | L | 44.2 | Very low | 46.7 | Very low | 152 Ų | 152 | 128.5 Ų | 128.5 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -90.4 | -5.5 | 176.8 | -116.1 | 126.1 | 0 | 0 | 0 | 113.3 | ||
| 24 | L | 47.7 | Very low | 46.6 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -101.4 | 6.5 | -175.8 | -75.4 | 169.3 | 0 | 0 | 0 | 115 | ||
| 25 | I | 50.3 | Low | 46.5 | Very low | 149 Ų | 149 | 128 Ų | 128 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -111.3 | 9.8 | -179.7 | -41.5 | -179.2 | 0 | 0 | 0 | 112.1 | ||
| 26 | G | 46.8 | Very low | 46.8 | Very low | 67 Ų | 67 | 126.4 Ų | 126.4 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -103.5 | 0.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 27 | Q | 46.6 | Very low | 47.3 | Very low | 182 Ų | 182 | 126 Ų | 126 | 85% | 0.85 | 72% | 0.721 | S | S | * | * | trans | -135.9 | 44.6 | -170.5 | -73.9 | -165.6 | -18.5 | 0 | 0 | 114.8 | ||||
| 28 | W | 44.9 | Very low | 47.4 | Very low | 267 Ų | 267 | 125.8 Ų | 125.8 | 100% | 1.011 | 72% | 0.721 | S | S | * | * | trans | -115.5 | 64.3 | 163.2 | -82.8 | 36.5 | 0 | 0 | 0 | 109.5 | ||||
| 29 | G | 51.2 | Low | 48.3 | Very low | 51 Ų | 51 | 123.1 Ų | 123.1 | 53% | 0.526 | 72% | 0.72 | S | S | . | * | S | Bend | trans | -90.5 | 148 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | S31 | G29-S31 PolarHBondContact O-N 2.76Š|
| 30 | P | 47.8 | Very low | 49.5 | Very low | 132 Ų | 132 | 124.4 Ų | 124.4 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | trans | -55.9 | 114.5 | 177.5 | 23.7 | -31 | 0 | 0 | 0 | 107.7 | G32 | P30-G32 PolarHBondContact O-N 3.14Š| ||
| 31 | S | 47.3 | Very low | 50.1 | Low | 115 Ų | 115 | 125.3 Ų | 125.3 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -60.2 | 99.7 | 167.8 | -39.3 | 0 | 0 | 0 | 0 | 104.6 | G29 V33 | G29-S31 PolarHBondContact O-N 2.76Å; S31-V33 PolarHBondContact O-N 2.82Å | ||
| 32 | G | 42.8 | Very low | 51.2 | Low | 68 Ų | 68 | 130.3 Ų | 130.3 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -50.7 | 116.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | P30 S34 | P30-G32 PolarHBondContact O-N 3.14Å; G32-S34 PolarHBondContact O-N 3.22Å | ||
| 33 | V | 46.3 | Very low | 52.3 | Low | 124 Ų | 124 | 128.1 Ų | 128.1 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | trans | -61.5 | 95.5 | 164.3 | 179 | 0 | 0 | 0 | 0 | 103.7 | S31 C35 | S31-V33 PolarHBondContact O-N 2.82Å; V33-C35 PolarHBondContact O-N 3.42Å | ||
| 34 | S | 49 | Very low | 52.9 | Low | 102 Ų | 102 | 128.2 Ų | 128.2 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | -66.7 | 90.4 | 159 | -176.5 | 0 | 0 | 0 | 0 | 103.7 | G32 Q36 | G32-S34 PolarHBondContact O-N 3.22Å; S34-Q36 PolarHBondContact O-N 3.35Å | ||
| 35 | C | 46 | Very low | 53.6 | Low | 86 Ų | 86 | 130.2 Ų | 130.2 | 58% | 0.581 | 74% | 0.743 | S | S | * | * | trans | -58.5 | 98 | 158.5 | -62.7 | 0 | 0 | 0 | 0 | 104.1 | V33 N37 | V33-C35 PolarHBondContact O-N 3.42Å; C35-N37 PolarHBondContact O-N 2.83Å | ||
| 36 | Q | 50 | Low | 54.2 | Low | 148 Ų | 148 | 126.5 Ų | 126.5 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | trans | -60.3 | 90.1 | 156.8 | -100.2 | 172.5 | -61.9 | 0 | 0 | 104.9 | S34 D38 | S34-Q36 PolarHBondContact O-N 3.35Å; Q36-D38 HydrophobicContact CB-CB 4.39Å; Q36-D38 VanDerWaalsContact CD-OD2 3.22Å; Q36-D38 WeakPolarHBondContact CG-OD2 3.43Å; Q36-D38 PolarHBondContact NE2-OD2 3.22Å; Q36-D38 PolarHBondContact O-N 3.46Å | ||
| 37 | N | 52.7 | Low | 55 | Low | 137 Ų | 137 | 132.9 Ų | 132.9 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | -72.4 | 55.3 | 159.4 | -73.2 | -14.6 | 0 | 0 | 0 | 107.2 | C35 T39 | C35-N37 PolarHBondContact O-N 2.83Å; N37-T39 PolarHBondContact O-N 3.38Å | ||
| 38 | D | 54 | Low | 55.9 | Low | 107 Ų | 107 | 129.7 Ų | 129.7 | 57% | 0.572 | 75% | 0.747 | S | S | * | * | trans | -78 | 59.7 | 171.2 | -69.3 | -8.2 | 0 | 0 | 0 | 107.1 | Q36 E40 | Q36-D38 HydrophobicContact CB-CB 4.39Å; Q36-D38 VanDerWaalsContact CD-OD2 3.22Å; Q36-D38 WeakPolarHBondContact CG-OD2 3.43Å; Q36-D38 PolarHBondContact NE2-OD2 3.22Å; Q36-D38 PolarHBondContact O-N 3.46Å; D38-E40 PolarHBondContact O-N 2.88Å; D38-E40 VanDerWaalsContact O-N 3.09Å | ||
| 39 | T | 62.7 | Low | 56.9 | Low | 126 Ų | 126 | 120.9 Ų | 120.9 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | -76.8 | 79.2 | 153.3 | 40.1 | 0 | 0 | 0 | 0 | 105.8 | N37 | N37-T39 PolarHBondContact O-N 3.38Š| ||
| 40 | E | 68.2 | Low | 57.9 | Low | 168 Ų | 168 | 123.9 Ų | 123.9 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -52.8 | 125.9 | 159 | -70.2 | -169.5 | 167.3 | 0 | 0 | 106.6 | D38 I42 | D38-E40 PolarHBondContact O-N 2.88Å; D38-E40 VanDerWaalsContact O-N 3.09Å; E40-I42 PolarHBondContact O-N 3.17Å | ||
| 41 | P | 61.7 | Low | 58.8 | Low | 111 Ų | 111 | 121.7 Ų | 121.7 | 72% | 0.721 | 71% | 0.711 | S | S | * | * | trans | -60 | 120.4 | 179 | 24 | -31.6 | 0 | 0 | 0 | 107.7 | V43 | P41-V43 PolarHBondContact O-N 3.13Š| ||
| 42 | I | 70.7 | Confident | 59.9 | Low | 148 Ų | 148 | 121.4 Ų | 121.4 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | trans | -62.1 | 105.8 | 168.5 | -61.6 | 174.1 | 0 | 0 | 0 | 105.6 | E40 L44 | E40-I42 PolarHBondContact O-N 3.17Å; I42-L44 VanDerWaalsContact C-N 3.34Å; I42-L44 HydrophobicContact CG2-CD2 3.83Å; I42-L44 HydrophobicContact CG2-CG 4.43Å; I42-L44 PolarHBondContact O-N 3.42Å | ||
| 43 | V | 67.2 | Low | 60.8 | Low | 111 Ų | 111 | 122.7 Ų | 122.7 | 67% | 0.673 | 70% | 0.699 | S | S | * | * | trans | -68.2 | 99.4 | 172.9 | -177 | 0 | 0 | 0 | 0 | 106.3 | P41 E45 | P41-V43 PolarHBondContact O-N 3.13Å; V43-E45 VanDerWaalsContact C-N 3.3Å; V43-E45 HydrophobicContact CG1-CG 3.8Å; V43-E45 PolarHBondContact O-N 3.4Å | ||
| 44 | L | 57.5 | Low | 61 | Low | 154 Ų | 154 | 122 Ų | 122 | 81% | 0.806 | 70% | 0.699 | S | S | * | * | trans | -73.8 | 89.8 | 171.3 | -62.9 | 177.1 | 0 | 0 | 0 | 107.6 | I42 G46 | I42-L44 VanDerWaalsContact C-N 3.34Å; I42-L44 HydrophobicContact CG2-CD2 3.83Å; I42-L44 HydrophobicContact CG2-CG 4.43Å; I42-L44 PolarHBondContact O-N 3.42Å; L44-G46 PolarHBondContact O-N 3.39Å | ||
| 45 | E | 62.8 | Low | 61.3 | Low | 181 Ų | 181 | 121.1 Ų | 121.1 | 85% | 0.846 | 69% | 0.69 | S | S | * | * | trans | -73.7 | 109.8 | 171.4 | -64.3 | -167.9 | 169.5 | 0 | 0 | 109.4 | V43 | V43-E45 VanDerWaalsContact C-N 3.3Å; V43-E45 HydrophobicContact CG1-CG 3.8Å; V43-E45 PolarHBondContact O-N 3.4Å | ||
| 46 | G | 61.5 | Low | 61.4 | Low | 71 Ų | 71 | 122.5 Ų | 122.5 | 73% | 0.732 | 70% | 0.698 | S | S | * | * | trans | -161.7 | 152.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L44 | L44-G46 PolarHBondContact O-N 3.39Š| ||
| 47 | K | 64 | Low | 61.3 | Low | 201 Ų | 201 | 121.3 Ų | 121.3 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | trans | -86.2 | 112.1 | 169.7 | -69.8 | -177.4 | -178.1 | 179 | 0 | 108.5 | ||||
| 48 | C | 66.1 | Low | 61 | Low | 115 Ų | 115 | 118.7 Ų | 118.7 | 78% | 0.777 | 70% | 0.703 | S | S | * | * | trans | -94.5 | 132.5 | 173.1 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 49 | L | 66.3 | Low | 60.8 | Low | 82 Ų | 82 | 119.8 Ų | 119.8 | 43% | 0.429 | 71% | 0.705 | S | S | . | * | trans | -112.2 | 115.6 | 166.4 | -172.5 | 103.5 | 0 | 0 | 0 | 108.3 | V51 F202 V204 | L49-V51 HydrophobicContact CD2-CG2 3.44Å; L49-V51 VanDerWaalsContact CD2-CG2 3.44Å; L49-V51 HydrophobicContact CG-CG2 4.29Å; L49-F202 HydrophobicContact CD2-CE2 3.31Å; L49-F202 HydrophobicContact CD2-CZ 3.38Å; L49-V204 HydrophobicContact CD2-CG1 4.16Å; L49-V204 HydrophobicContact CD2-CG2 4.32Å | ||
| 50 | V | 71.1 | Confident | 60.1 | Low | 115 Ų | 115 | 119 Ų | 119 | 70% | 0.697 | 70% | 0.702 | S | S | * | * | trans | -94.8 | 117.4 | 175.7 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 51 | V | 66.9 | Low | 59.6 | Low | 86 Ų | 86 | 116 Ų | 116 | 52% | 0.521 | 70% | 0.699 | S | S | . | * | trans | -108.1 | 107.2 | 173.8 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | L49 F202 | L49-V51 HydrophobicContact CD2-CG2 3.44Å; L49-V51 VanDerWaalsContact CD2-CG2 3.44Å; L49-V51 HydrophobicContact CG-CG2 4.29Å; V51-F202 HydrophobicContact CG2-CE2 4.45Å | ||
| 52 | C | 70.8 | Confident | 58.7 | Low | 108 Ų | 108 | 114.1 Ų | 114.1 | 73% | 0.73 | 70% | 0.7 | S | S | * | * | trans | -88.8 | 115.9 | 174.8 | -61.4 | 0 | 0 | 0 | 0 | 109.2 | S54 | C52-S54 PolarHBondContact O-N 2.7Š| ||
| 53 | D | 60.5 | Low | 57.8 | Low | 95 Ų | 95 | 115.6 Ų | 115.6 | 51% | 0.508 | 71% | 0.709 | S | S | . | * | trans | -82.7 | 97.6 | 171.6 | -162.5 | -1.4 | 0 | 0 | 0 | 108.2 | T55 R75 | D53-T55 VanDerWaalsContact C-N 3.26Å; D53-T55 PolarHBondContact O-N 2.75Å; D53-T55 VanDerWaalsContact O-N 3.07Å; D53-R75 IonicContact OD2-NH2 2.9Å | ||
| 54 | S | 50.9 | Low | 56.5 | Low | 109 Ų | 109 | 114.3 Ų | 114.3 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | trans | -80.4 | 77.9 | 171.2 | 46.5 | 0 | 0 | 0 | 0 | 109.2 | C52 P56 | C52-S54 PolarHBondContact O-N 2.7Å; S54-P56 VanDerWaalsContact C-CD 3.42Å; S54-P56 WeakPolarHBondContact O-CD 3.44Å | ||
| 55 | T | 55.6 | Low | 56.1 | Low | 84 Ų | 84 | 116 Ų | 116 | 52% | 0.515 | 72% | 0.72 | S | S | . | * | trans | -92.1 | 91.5 | 160.7 | 52.7 | 0 | 0 | 0 | 0 | 108.8 | D53 S57 | D53-T55 VanDerWaalsContact C-N 3.26Å; D53-T55 PolarHBondContact O-N 2.75Å; D53-T55 VanDerWaalsContact O-N 3.07Å; T55-S57 PolarHBondContact O-N 3.2Å | ||
| 56 | P | 47.9 | Very low | 55 | Low | 115 Ų | 115 | 110 Ų | 110 | 75% | 0.747 | 71% | 0.706 | S | S | * | * | trans | -69.1 | 104.3 | 166.9 | 28.9 | -31.6 | 0 | 0 | 0 | 107.5 | S54 A58 | S54-P56 VanDerWaalsContact C-CD 3.42Å; S54-P56 WeakPolarHBondContact O-CD 3.44Å; P56-A58 PolarHBondContact O-N 3.41Å | ||
| 57 | S | 48.5 | Very low | 54.3 | Low | 124 Ų | 124 | 113.8 Ų | 113.8 | 87% | 0.867 | 71% | 0.706 | S | S | * | * | trans | -72.7 | 82.1 | 166.6 | 61.7 | 0 | 0 | 0 | 0 | 108.8 | T55 | T55-S57 PolarHBondContact O-N 3.2Š| ||
| 58 | A | 45.3 | Very low | 53.2 | Low | 81 Ų | 81 | 107.9 Ų | 107.9 | 67% | 0.669 | 69% | 0.69 | S | S | * | * | trans | -125.2 | 93.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | P56 | P56-A58 PolarHBondContact O-N 3.41Š| ||
| 59 | E | 51.8 | Low | 52.4 | Low | 130 Ų | 130 | 107 Ų | 107 | 61% | 0.607 | 68% | 0.682 | S | S | * | * | trans | -70.5 | 135.3 | 150.2 | -74.9 | -94.1 | 160.4 | 0 | 0 | 106.3 | R70 | E59-R70 IonicContact OE1-CZ 3.96Å; E59-R70 IonicContact OE1-NH1 2.7Å; E59-R70 PolarHBondContact OE1-NH1 3.1Å; E59-R70 IonicContact OE1-NH2 3.13Å; E59-R70 PolarHBondContact OE1-NH2 3.4Å | ||
| 60 | P | 47.9 | Very low | 51.5 | Low | 111 Ų | 111 | 111.3 Ų | 111.3 | 72% | 0.721 | 69% | 0.692 | S | S | * | * | -138.7 | 144.9 | 73.2 | 34.4 | -17.5 | 0 | 0 | 0 | 114.5 | |||||
| 61 | S | 55.8 | Low | 50.3 | Low | 104 Ų | 104 | 109.2 Ų | 109.2 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | trans | 41.2 | 113.4 | 146.8 | 63.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 62 | G | 44.1 | Very low | 49.6 | Very low | 71 Ų | 71 | 108.1 Ų | 108.1 | 73% | 0.732 | 69% | 0.689 | S | S | * | * | trans | 142.1 | 103.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A64 | G62-A64 PolarHBondContact O-N 3.04Å; G62-A64 VanDerWaalsContact O-N 3.14Å | ||
| 63 | N | 51.3 | Low | 49 | Very low | 179 Ų | 179 | 108.5 Ų | 108.5 | 96% | 0.957 | 69% | 0.688 | S | S | * | * | trans | 8.9 | 90.1 | 153.9 | -65.9 | -8.7 | 0 | 0 | 0 | 116.1 | ||||
| 64 | A | 40.6 | Very low | 49.6 | Very low | 84 Ų | 84 | 105.2 Ų | 105.2 | 69% | 0.694 | 68% | 0.677 | S | S | * | * | trans | -132 | 134 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | G62 G66 | G62-A64 PolarHBondContact O-N 3.04Å; G62-A64 VanDerWaalsContact O-N 3.14Å; A64-G66 PolarHBondContact O-N 3.43Å | ||
| 65 | L | 49.1 | Very low | 51.4 | Low | 191 Ų | 191 | 108.1 Ų | 108.1 | 100% | 1 | 67% | 0.671 | S | S | * | * | trans | -66.8 | 35.2 | 172.4 | -71 | 164.5 | 0 | 0 | 0 | 112.4 | M67 | L65-M67 PolarHBondContact O-N 2.86Š| ||
| 66 | G | 40.2 | Very low | 53.3 | Low | 54 Ų | 54 | 104.6 Ų | 104.6 | 56% | 0.557 | 65% | 0.649 | S | S | * | * | trans | -77.2 | 119.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | A64 S68 | A64-G66 PolarHBondContact O-N 3.43Å; G66-S68 PolarHBondContact O-N 2.68Å | ||
| 67 | M | 45 | Very low | 55.7 | Low | 150 Ų | 150 | 100.5 Ų | 100.5 | 74% | 0.739 | 63% | 0.625 | S | S | * | * | trans | -51.7 | 88.1 | 161.7 | -74.1 | 169.9 | 25.8 | 0 | 0 | 108.7 | L65 V69 | L65-M67 PolarHBondContact O-N 2.86Å; M67-V69 PolarHBondContact O-N 2.92Å | ||
| 68 | S | 42.4 | Very low | 58 | Low | 77 Ų | 77 | 94.8 Ų | 94.8 | 54% | 0.538 | 59% | 0.585 | S | S | . | * | trans | -66.3 | 109 | 176.6 | -167.9 | 0 | 0 | 0 | 0 | 106.4 | G66 R70 | G66-S68 PolarHBondContact O-N 2.68Å; S68-R70 PolarHBondContact O-N 3.43Å; S68-R70 WeakPolarHBondContact OG-CD 3.35Å; S68-R70 WeakPolarHBondContact OG-CG 3.45Å | ||
| 69 | V | 48.7 | Very low | 60.6 | Low | 98 Ų | 98 | 92.2 Ų | 92.2 | 59% | 0.594 | 56% | 0.562 | S | S | * | * | trans | -68.6 | 62.7 | 165.9 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | M67 | M67-V69 PolarHBondContact O-N 2.92Š| ||
| 70 | R | 46.4 | Very low | 62.8 | Low | 171 Ų | 171 | 86 Ų | 86 | 65% | 0.645 | 53% | 0.533 | S | S | * | . | trans | -104.6 | 3.7 | 176.4 | -89 | -176 | -172.8 | -162 | 7.2 | 112.8 | E59 S68 | E59-R70 IonicContact OE1-CZ 3.96Å; E59-R70 IonicContact OE1-NH1 2.7Å; E59-R70 PolarHBondContact OE1-NH1 3.1Å; E59-R70 IonicContact OE1-NH2 3.13Å; E59-R70 PolarHBondContact OE1-NH2 3.4Å; S68-R70 PolarHBondContact O-N 3.43Å; S68-R70 WeakPolarHBondContact OG-CD 3.35Å; S68-R70 WeakPolarHBondContact OG-CG 3.45Å | ||
| 71 | S | 46.4 | Very low | 65.2 | Low | 71 Ų | 71 | 82.5 Ų | 82.5 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -127.7 | 139 | -179.6 | -155.6 | 0 | 0 | 0 | 0 | 108.7 | T73 | S71-T73 WeakPolarHBondContact CB-OG1 3.39Å; S71-T73 PolarHBondContact O-N 3.44Å; S71-T73 PolarHBondContact O-OG1 3.27Å; S71-T73 WeakPolarHBondContact OG-CG2 3.36Å |
| 72 | G | 52 | Low | 67.2 | Low | 64 Ų | 64 | 78.4 Ų | 78.4 | 66% | 0.66 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 16.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 73 | T | 59.2 | Low | 69.6 | Low | 116 Ų | 116 | 78.8 Ų | 78.8 | 71% | 0.712 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -4.1 | 179.6 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | S71 | S71-T73 WeakPolarHBondContact CB-OG1 3.39Å; S71-T73 PolarHBondContact O-N 3.44Å; S71-T73 PolarHBondContact O-OG1 3.27Å; S71-T73 WeakPolarHBondContact OG-CG2 3.36Å |
| 74 | G | 73.4 | Confident | 71.6 | Confident | 26 Ų | 26 | 72 Ų | 72 | 27% | 0.268 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -99.6 | -14.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 75 | R | 87.6 | Confident | 73.9 | Confident | 170 Ų | 170 | 72 Ų | 72 | 64% | 0.642 | 42% | 0.415 | S | S | * | . | trans | -87.2 | 130.7 | -176.6 | -63 | 178.9 | -175.6 | 172.7 | 0 | 109.4 | D53 V107 | D53-R75 IonicContact OD2-NH2 2.9Å; R75-V107 HydrophobicContact CB-CG1 4.03Å; R75-V107 WeakPolarHBondContact O-CG1 3.18Å | ||
| 76 | V | 95.8 | Very high | 75.8 | Confident | 9 Ų | 9 | 69.1 Ų | 69.1 | 6% | 0.055 | 40% | 0.396 | C | S | . | . | trans | -137.4 | 121.1 | -179.9 | -178.6 | 0 | 0 | 0 | 0 | 107.7 | F118 P121 Y126 F202 L203 | V76-F118 HydrophobicContact CG1-CE2 3.74Å; V76-F118 HydrophobicContact CG1-CZ 3.69Å; V76-P121 HydrophobicContact CG1-CG 4.29Å; V76-P121 HydrophobicContact CG2-CG 3.68Å; V76-Y126 HydrophobicContact CG1-CE1 4.26Å; V76-F202 CarbonylContact O-C 3.56Å; V76-F202 VanDerWaalsContact O-CA 3.22Å; V76-F202 WeakPolarHBondContact O-CA 3.31Å; V76-F202 VanDerWaalsContact O-CB 3.26Å; V76-F202 WeakPolarHBondContact O-CB 3.21Å; V76-L203 HydrophobicContact CB-CB 3.78Å; V76-L203 HydrophobicContact CG2-CB 4.29Å; V76-L203 HydrophobicContact CG2-CD2 4.22Å; V76-L203 PolarHBondContact O-N 2.88Å | ||
| 77 | A | 97.3 | Very high | 78.2 | Confident | 29 Ų | 29 | 70.8 Ų | 70.8 | 24% | 0.24 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 143.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V105 N106 V107 G201 F202 | A77-V105 HydrophobicContact CB-CG1 4.25Å; A77-N106 CarbonylContact O-C 3.45Å; A77-N106 WeakPolarHBondContact O-CA 3.47Å; A77-V107 HydrophobicContact CB-CB 4.38Å; A77-V107 HydrophobicContact CB-CG2 4.42Å; A77-V107 PolarHBondContact N-O 3.11Å; A77-V107 PolarHBondContact O-N 3.11Å; A77-G201 CarbonylContact C-O 3.58Å; A77-G201 WeakPolarHBondContact CA-O 3.39Å; A77-F202 HydrophobicContact CB-CB 3.8Å |
| 78 | F | 98.6 | Very high | 80.2 | Confident | 5 Ų | 5 | 64.4 Ų | 64.4 | 2% | 0.022 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 155 | 168.8 | 76.6 | -80.7 | 0 | 0 | 0 | 111 | V105 F111 F118 F128 F199 S200 G201 | F78-V105 CarbonylContact C-O 3.57Å; F78-V105 WeakPolarHBondContact CA-O 3.22Å; F78-F111 HydrophobicContact CB-CB 3.7Å; F78-F111 HydrophobicContact CB-CG 4.24Å; F78-F111 HydrophobicContact CD1-CD2 4.49Å; F78-F111 HydrophobicContact CD2-CB 4.07Å; F78-F111 HydrophobicContact CD2-CD1 4.48Å; F78-F111 AromaticContact CD2-CD2 3.34Å; F78-F111 HydrophobicContact CD2-CD2 3.34Å; F78-F111 AromaticContact CD2-CE2 3.81Å; F78-F111 HydrophobicContact CD2-CE2 3.81Å; F78-F111 AromaticContact CD2-CG 3.72Å; F78-F111 HydrophobicContact CD2-CG 3.72Å; F78-F111 AromaticContact CE2-CD2 3.51Å; F78-F111 HydrophobicContact CE2-CD2 3.51Å; F78-F111 AromaticContact CE2-CE2 3.64Å; F78-F111 HydrophobicContact CE2-CE2 3.64Å; F78-F111 HydrophobicContact CE2-CG 4.34Å; F78-F111 HydrophobicContact CG-CB 3.85Å; F78-F111 AromaticContact CG-CD2 3.88Å; F78-F111 HydrophobicContact CG-CD2 3.88Å; F78-F111 HydrophobicContact CG-CG 4.04Å; F78-F111 HydrophobicContact CZ-CD2 4.17Å; F78-F111 HydrophobicContact CZ-CE2 4.44Å; F78-F118 HydrophobicContact CD1-CB 4.42Å; F78-F118 AromaticContact CD1-CD2 3.39Å; F78-F118 HydrophobicContact CD1-CD2 3.39Å; F78-F118 AromaticContact CD1-CE2 3.86Å; F78-F118 HydrophobicContact CD1-CE2 3.86Å; F78-F118 HydrophobicContact CD1-CG 4.06Å; F78-F118 HydrophobicContact CE1-CB 3.93Å; F78-F118 AromaticContact CE1-CD2 3.59Å; F78-F118 HydrophobicContact CE1-CD2 3.59Å; F78-F118 HydrophobicContact CE1-CE2 4.23Å; F78-F118 AromaticContact CE1-CG 3.76Å; F78-F118 HydrophobicContact CE1-CG 3.76Å; F78-F118 HydrophobicContact CG-CD2 4.26Å; F78-F118 HydrophobicContact CZ-CB 4.19Å; F78-F118 HydrophobicContact CZ-CG 4.5Å; F78-F128 AromaticContact CE1-CD1 3.99Å; F78-F128 HydrophobicContact CE1-CD1 3.99Å; F78-F128 AromaticContact CE1-CE1 3.62Å; F78-F128 HydrophobicContact CE1-CE1 3.62Å; F78-F128 AromaticContact CZ-CD1 3.89Å; F78-F128 HydrophobicContact CZ-CD1 3.89Å; F78-F128 AromaticContact CZ-CE1 3.84Å; F78-F128 HydrophobicContact CZ-CE1 3.84Å; F78-F199 AromaticContact CE2-CD1 3.72Å; F78-F199 HydrophobicContact CE2-CD1 3.72Å; F78-F199 HydrophobicContact CE2-CD2 4.3Å; F78-F199 AromaticContact CE2-CE1 3.81Å; F78-F199 HydrophobicContact CE2-CE1 3.81Å; F78-F199 HydrophobicContact CE2-CE2 4.38Å; F78-F199 AromaticContact CE2-CG 3.98Å; F78-F199 HydrophobicContact CE2-CG 3.98Å; F78-F199 HydrophobicContact CE2-CZ 4.15Å; F78-F199 HydrophobicContact CZ-CD1 4.14Å; F78-F199 HydrophobicContact CZ-CD2 4.28Å; F78-F199 AromaticContact CZ-CE1 3.79Å; F78-F199 HydrophobicContact CZ-CE1 3.79Å; F78-F199 AromaticContact CZ-CE2 3.95Å; F78-F199 HydrophobicContact CZ-CE2 3.95Å; F78-F199 HydrophobicContact CZ-CG 4.37Å; F78-F199 AromaticContact CZ-CZ 3.7Å; F78-F199 HydrophobicContact CZ-CZ 3.7Å; F78-S200 WeakPolarHBondContact O-CA 3.47Å; F78-S200 WeakPolarHBondContact O-CB 3.48Å; F78-G201 WeakPolarHBondContact CD1-O 3.4Å; F78-G201 VanDerWaalsContact CE1-CA 3.49Å; F78-G201 PolarHBondContact N-O 2.99Å; F78-G201 PolarHBondContact O-N 3.17Å |
| 79 | S | 98.6 | Very high | 82.3 | Confident | 27 Ų | 27 | 64 Ų | 64 | 19% | 0.189 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 125.2 | 171.8 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | L104 V105 | S79-L104 PolarHBondContact O-N 3.02Å; S79-V105 PolarHBondContact N-O 2.82Å; S79-V105 PolarHBondContact O-N 2.9Å; S79-V105 VanDerWaalsContact O-N 3.13Å |
| 80 | A | 98.6 | Very high | 84 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 146.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | F100 Q102 I103 F111 T198 F199 | A80-F100 HydrophobicContact CB-CB 3.69Å; A80-F100 HydrophobicContact CB-CG 4.13Å; A80-Q102 CarbonylContact C-O 3.59Å; A80-Q102 WeakPolarHBondContact CA-O 3.41Å; A80-I103 HydrophobicContact CB-CD1 3.67Å; A80-F111 HydrophobicContact CB-CE1 3.87Å; A80-F111 HydrophobicContact CB-CZ 4Å; A80-T198 WeakPolarHBondContact O-CA 3.38Å; A80-F199 PolarHBondContact N-O 2.86Å; A80-F199 PolarHBondContact O-N 2.88Å |
| 81 | I | 98.4 | Very high | 85.5 | Confident | 36 Ų | 36 | 66 Ų | 66 | 19% | 0.185 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 155.5 | -179.5 | 69.4 | 173 | 0 | 0 | 0 | 111.3 | D101 Q102 L104 S197 T198 | I81-D101 PolarHBondContact O-N 2.79Å; I81-Q102 HydrophobicContact CD1-CB 4.48Å; I81-Q102 HydrophobicContact CD1-CG 4.37Å; I81-Q102 HydrophobicContact CG1-CB 3.79Å; I81-Q102 HydrophobicContact CG1-CG 4.08Å; I81-Q102 PolarHBondContact N-O 2.82Å; I81-Q102 PolarHBondContact O-N 2.83Å; I81-Q102 VanDerWaalsContact O-N 3.1Å; I81-L104 HydrophobicContact CD1-CD1 4.33Å; I81-L104 HydrophobicContact CD1-CD2 4.08Å; I81-L104 HydrophobicContact CD1-CG 4.42Å; I81-L104 HydrophobicContact CG1-CD2 4.41Å; I81-L104 HydrophobicContact CG1-CG 4.4Å; I81-L104 HydrophobicContact CG2-CD1 3.63Å; I81-L104 HydrophobicContact CG2-CG 4.17Å; I81-S197 CarbonylContact C-O 3.47Å; I81-S197 VanDerWaalsContact CA-O 3.28Å; I81-S197 WeakPolarHBondContact CA-O 3.29Å; I81-T198 HydrophobicContact CG2-CG2 3.92Å |
| 82 | R | 97.1 | Very high | 87.3 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 7% | 0.072 | 35% | 0.348 | C | S | . | . | trans | -94.9 | 113.3 | 168.4 | -174.7 | 74 | 175.7 | 161 | -15.2 | 108.9 | T84 H86 F100 D101 W194 Y196 S197 | R82-T84 WeakPolarHBondContact CG-O 3.46Å; R82-T84 PolarHBondContact NE-O 2.85Å; R82-T84 PolarHBondContact NE-OG1 2.69Å; R82-T84 PolarHBondContact NH1-OG1 2.93Å; R82-H86 PolarHBondContact NH2-O 2.76Å; R82-F100 HydrophobicContact CB-CD1 4.44Å; R82-D101 WeakPolarHBondContact CD-OD1 3.43Å; R82-D101 IonicContact CZ-OD1 2.85Å; R82-D101 IonicContact NE-OD1 3.63Å; R82-D101 IonicContact NH1-OD1 3.56Å; R82-D101 PolarHBondContact NH1-OD1 3.01Å; R82-W194 WeakPolarHBondContact CB-O 3.29Å; R82-W194 VanDerWaalsContact CD-NE1 3.3Å; R82-W194 HydrophobicContact CG-CD2 4.3Å; R82-W194 HydrophobicContact CG-CG 4.01Å; R82-W194 WeakPolarHBondContact CG-O 3.49Å; R82-Y196 PolarHBondContact O-N 3.15Å; R82-S197 PolarHBondContact N-O 2.92Å | ||
| 83 | N | 95.1 | Very high | 88.8 | Confident | 78 Ų | 78 | 63.8 Ų | 63.8 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | trans | -99.1 | -5.4 | -179.1 | -161.2 | 13.2 | 0 | 0 | 0 | 113.4 | D101 Q102 K195 | N83-D101 WeakPolarHBondContact CB-OD2 3.5Å; N83-D101 PolarHBondContact N-OD1 3.44Å; N83-D101 PolarHBondContact N-OD2 3.17Å; N83-D101 VanDerWaalsContact N-OD2 3.11Å; N83-Q102 PolarHBondContact ND2-OE1 3.09Å; N83-K195 WeakPolarHBondContact O-CD 3.35Å; N83-K195 WeakPolarHBondContact O-CE 3.42Å; N83-K195 PolarHBondContact O-NZ 3.1Å | ||
| 84 | T | 92.4 | Very high | 90.2 | Very high | 38 Ų | 38 | 68.9 Ų | 68.9 | 23% | 0.233 | 34% | 0.342 | C | S | . | . | trans | -117.6 | 151.6 | -176.3 | 64.6 | 0 | 0 | 0 | 0 | 112.8 | R82 H86 D101 K195 | R82-T84 WeakPolarHBondContact CG-O 3.46Å; R82-T84 PolarHBondContact NE-O 2.85Å; R82-T84 PolarHBondContact NE-OG1 2.69Å; R82-T84 PolarHBondContact NH1-OG1 2.93Å; T84-H86 VanDerWaalsContact C-N 3.25Å; T84-D101 PolarHBondContact OG1-OD1 3.09Å; T84-D101 VanDerWaalsContact OG1-OD1 3.11Å; T84-K195 WeakPolarHBondContact O-CB 3.4Å | ||
| 85 | N | 89.4 | Confident | 91 | Very high | 83 Ų | 83 | 70.5 Ų | 70.5 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | trans | -91.9 | 19.8 | 168.6 | -73.3 | -41.2 | 0 | 0 | 0 | 111.7 | E87 K195 | N85-E87 PolarHBondContact O-N 2.79Å; N85-K195 WeakPolarHBondContact OD1-CB 3.33Å | ||
| 86 | H | 90.1 | Very high | 91.3 | Very high | 131 Ų | 131 | 66 Ų | 66 | 61% | 0.606 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 140 | 179.6 | -66.4 | 164.6 | 0 | 0 | 0 | 110.4 | R82 T84 W194 | R82-H86 PolarHBondContact NH2-O 2.76Å; T84-H86 VanDerWaalsContact C-N 3.25Å; H86-W194 WeakPolarHBondContact O-CZ3 3.35Å |
| 87 | E | 89.3 | Confident | 91.4 | Very high | 89 Ų | 89 | 66.5 Ų | 66.5 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 155.7 | 173.5 | -64.7 | -60.8 | 162.5 | 0 | 0 | 111.6 | N85 S89 M191 G192 | N85-E87 PolarHBondContact O-N 2.79Å; E87-S89 PolarHBondContact O-N 3.06Å; E87-M191 HydrophobicContact CG-CE 4.47Å; E87-M191 WeakPolarHBondContact OE2-CA 3.45Å; E87-M191 WeakPolarHBondContact OE2-CE 3.41Å; E87-G192 VanDerWaalsContact CD-N 3.32Å; E87-G192 WeakPolarHBondContact OE1-CA 3.31Å; E87-G192 PolarHBondContact OE1-N 3.45Å; E87-G192 PolarHBondContact OE2-N 2.91Å; E87-G192 VanDerWaalsContact OE2-N 3.07Å |
| 88 | P | 86.6 | Confident | 91.4 | Very high | 15 Ų | 15 | 65.2 Ų | 65.2 | 10% | 0.097 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 137.5 | 173.1 | -19.1 | 29.9 | 0 | 0 | 0 | 111.1 | N93 L190 W194 | P88-N93 WeakPolarHBondContact CB-OD1 3.34Å; P88-L190 HydrophobicContact CG-CB 4.18Å; P88-W194 HydrophobicContact CB-CH2 4.3Å; P88-W194 HydrophobicContact CB-CZ3 4.19Å; P88-W194 HydrophobicContact CG-CH2 4.3Å; P88-W194 HydrophobicContact CG-CZ3 3.7Å |
| 89 | S | 86.9 | Confident | 91.3 | Very high | 70 Ų | 70 | 68.6 Ų | 68.6 | 49% | 0.49 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 162.1 | 170.9 | 64.9 | 0 | 0 | 0 | 0 | 110.9 | E87 M91 S92 N93 | E87-S89 PolarHBondContact O-N 3.06Å; S89-M91 PolarHBondContact O-N 2.71Å; S89-S92 PolarHBondContact O-N 3.41Å; S89-S92 PolarHBondContact OG-N 2.83Å; S89-N93 PolarHBondContact O-N 2.7Å |
| 90 | E | 84.3 | Confident | 91.2 | Very high | 180 Ų | 180 | 67.3 Ų | 67.3 | 84% | 0.841 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -53.3 | -39 | 173.6 | -67.7 | -174.1 | 168.8 | 0 | 0 | 112.3 | N93 R94 | E90-N93 PolarHBondContact O-N 3.27Å; E90-R94 PolarHBondContact O-N 3.04Å |
| 91 | M | 79 | Confident | 91 | Very high | 130 Ų | 130 | 69.9 Ų | 69.9 | 64% | 0.64 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.4 | -46.1 | 175.9 | -172.8 | 64 | 70.9 | 0 | 0 | 111.8 | S89 N93 R94 T95 | S89-M91 PolarHBondContact O-N 2.71Å; M91-N93 VanDerWaalsContact C-N 3.32Å; M91-N93 PolarHBondContact O-N 2.69Å; M91-R94 PolarHBondContact O-N 3.42Å; M91-R94 VanDerWaalsContact O-N 3.1Å; M91-T95 HydrophobicContact CG-CG2 4.45Å; M91-T95 PolarHBondContact O-N 3.04Å; M91-T95 PolarHBondContact O-OG1 2.72Å; M91-T95 HydrophobicContact SD-CG2 4.08Å |
| 92 | S | 83 | Confident | 91 | Very high | 12 Ų | 12 | 71.5 Ų | 71.5 | 8% | 0.084 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 178.3 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | S89 R94 M96 T97 | S89-S92 PolarHBondContact O-N 3.41Å; S89-S92 PolarHBondContact OG-N 2.83Å; S92-R94 VanDerWaalsContact C-N 3.29Å; S92-R94 PolarHBondContact O-N 2.78Å; S92-M96 WeakPolarHBondContact O-CA 3.42Å; S92-M96 PolarHBondContact O-N 2.92Å; S92-T97 PolarHBondContact OG-O 3.18Å |
| 93 | N | 84.5 | Confident | 91.1 | Very high | 76 Ų | 76 | 73.3 Ų | 73.3 | 41% | 0.406 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.8 | -30.5 | 173.9 | -76.8 | -29.7 | 0 | 0 | 0 | 112.9 | P88 S89 E90 M91 M96 | P88-N93 WeakPolarHBondContact CB-OD1 3.34Å; S89-N93 PolarHBondContact O-N 2.7Å; E90-N93 PolarHBondContact O-N 3.27Å; M91-N93 VanDerWaalsContact C-N 3.32Å; M91-N93 PolarHBondContact O-N 2.69Å; N93-M96 VanDerWaalsContact O-CE 3.27Å; N93-M96 WeakPolarHBondContact O-CE 3.28Å |
| 94 | R | 87.4 | Confident | 91.2 | Very high | 223 Ų | 223 | 74.2 Ų | 74.2 | 84% | 0.842 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -79.2 | -43.3 | 178.2 | -172.2 | 177.2 | 179.4 | 174.3 | 0.1 | 112.7 | E90 M91 S92 | E90-R94 PolarHBondContact O-N 3.04Å; M91-R94 PolarHBondContact O-N 3.42Å; M91-R94 VanDerWaalsContact O-N 3.1Å; S92-R94 VanDerWaalsContact C-N 3.29Å; S92-R94 PolarHBondContact O-N 2.78Å |
| 95 | T | 90.7 | Very high | 91.5 | Very high | 60 Ų | 60 | 75.3 Ų | 75.3 | 37% | 0.368 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -87.1 | -18.4 | -177.9 | 66.6 | 0 | 0 | 0 | 0 | 113 | M91 T97 | M91-T95 HydrophobicContact CG-CG2 4.45Å; M91-T95 PolarHBondContact O-N 3.04Å; M91-T95 PolarHBondContact O-OG1 2.72Å; M91-T95 HydrophobicContact SD-CG2 4.08Å; T95-T97 WeakPolarHBondContact CB-OG1 3.4Å; T95-T97 PolarHBondContact O-N 2.93Å; T95-T97 WeakPolarHBondContact OG1-CB 3.47Å; T95-T97 PolarHBondContact OG1-N 2.89Å; T95-T97 PolarHBondContact OG1-OG1 3.22Å |
| 96 | M | 94.9 | Very high | 91.8 | Very high | 75 Ų | 75 | 73.4 Ų | 73.4 | 37% | 0.369 | 36% | 0.362 | S | S | . | . | trans | 56.1 | 18.8 | -167.7 | -61.3 | -63.7 | -178.7 | 0 | 0 | 113.5 | S92 N93 K184 L185 | S92-M96 WeakPolarHBondContact O-CA 3.42Å; S92-M96 PolarHBondContact O-N 2.92Å; N93-M96 VanDerWaalsContact O-CE 3.27Å; N93-M96 WeakPolarHBondContact O-CE 3.28Å; M96-K184 HydrophobicContact CB-CG 4.11Å; M96-K184 CarbonylContact O-C 3.58Å; M96-K184 WeakPolarHBondContact O-CA 3.44Å; M96-L185 HydrophobicContact CB-CB 4.39Å; M96-L185 WeakPolarHBondContact CB-O 3.26Å; M96-L185 PolarHBondContact O-N 3.02Å | ||
| 97 | T | 96.7 | Very high | 92.1 | Very high | 21 Ų | 21 | 70.2 Ų | 70.2 | 13% | 0.129 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -76 | 133 | 175.1 | -51.6 | 0 | 0 | 0 | 0 | 109.8 | S92 T95 Y182 | S92-T97 PolarHBondContact OG-O 3.18Å; T95-T97 WeakPolarHBondContact CB-OG1 3.4Å; T95-T97 PolarHBondContact O-N 2.93Å; T95-T97 WeakPolarHBondContact OG1-CB 3.47Å; T95-T97 PolarHBondContact OG1-N 2.89Å; T95-T97 PolarHBondContact OG1-OG1 3.22Å; T97-Y182 HydrophobicContact CG2-CD2 4.17Å |
| 98 | I | 96.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -84 | 122.2 | 178.5 | -54.6 | -177.7 | 0 | 0 | 0 | 109.4 | F100 S116 V132 V143 L183 L185 L190 | I98-F100 HydrophobicContact CB-CE2 4.44Å; I98-F100 HydrophobicContact CG2-CE2 4.03Å; I98-F100 HydrophobicContact CG2-CZ 4Å; I98-S116 WeakPolarHBondContact O-CB 3.35Å; I98-V132 HydrophobicContact CD1-CG1 4.24Å; I98-V132 HydrophobicContact CD1-CG2 3.94Å; I98-V143 HydrophobicContact CD1-CB 4.37Å; I98-V143 HydrophobicContact CD1-CG1 3.66Å; I98-V143 HydrophobicContact CD1-CG2 3.84Å; I98-L183 HydrophobicContact CB-CB 4.14Å; I98-L183 HydrophobicContact CD1-CB 4.21Å; I98-L183 HydrophobicContact CG1-CB 4.36Å; I98-L183 PolarHBondContact N-O 3.44Å; I98-L185 HydrophobicContact CD1-CB 4.46Å; I98-L185 HydrophobicContact CG1-CB 4.36Å; I98-L190 HydrophobicContact CD1-CD1 4.27Å; I98-L190 HydrophobicContact CG1-CD1 4.04Å; I98-L190 HydrophobicContact CG2-CD1 4.16Å |
| 99 | Y | 96.6 | Very high | 92.8 | Very high | 77 Ų | 77 | 71.9 Ų | 71.9 | 30% | 0.302 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -94.7 | 147.6 | -174.3 | -173.7 | -96.9 | 0 | 0 | 0 | 113.1 | D101 P113 A114 S116 W194 | Y99-D101 HydrophobicContact CE1-CB 3.92Å; Y99-P113 WeakPolarHBondContact CE2-O 3.36Å; Y99-P113 PolarHBondContact OH-O 3Å; Y99-A114 WeakPolarHBondContact CE2-O 3.37Å; Y99-S116 WeakPolarHBondContact CA-OG 3.39Å; Y99-W194 PolarHBondContact O-NE1 3.27Å |
| 100 | F | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 37% | 0.37 | C | S | . | . | trans | -131.1 | 115.1 | 179.1 | -63.5 | -88.7 | 0 | 0 | 0 | 108.9 | A80 R82 I98 S116 L183 F199 | A80-F100 HydrophobicContact CB-CB 3.69Å; A80-F100 HydrophobicContact CB-CG 4.13Å; R82-F100 HydrophobicContact CB-CD1 4.44Å; I98-F100 HydrophobicContact CB-CE2 4.44Å; I98-F100 HydrophobicContact CG2-CE2 4.03Å; I98-F100 HydrophobicContact CG2-CZ 4Å; F100-S116 PolarHBondContact N-OG 2.85Å; F100-L183 HydrophobicContact CE2-CD1 4.01Å; F100-L183 HydrophobicContact CZ-CD1 3.82Å; F100-F199 HydrophobicContact CD1-CB 4.43Å; F100-F199 HydrophobicContact CD2-CB 4.12Å; F100-F199 HydrophobicContact CD2-CD1 4.44Å; F100-F199 HydrophobicContact CE1-CB 3.9Å; F100-F199 HydrophobicContact CE2-CB 3.56Å; F100-F199 HydrophobicContact CE2-CD1 4.09Å; F100-F199 HydrophobicContact CE2-CG 4.21Å; F100-F199 HydrophobicContact CZ-CB 3.45Å; F100-F199 VanDerWaalsContact CZ-CB 3.45Å; F100-F199 HydrophobicContact CZ-CG 4.45Å | ||
| 101 | D | 95.3 | Very high | 93.9 | Very high | 54 Ų | 54 | 62.9 Ų | 62.9 | 29% | 0.289 | 33% | 0.33 | S | S | . | . | trans | -83.2 | -18.4 | -171.5 | 51.9 | -106.6 | 0 | 0 | 0 | 114.6 | I81 R82 N83 T84 Y99 | I81-D101 PolarHBondContact O-N 2.79Å; R82-D101 WeakPolarHBondContact CD-OD1 3.43Å; R82-D101 IonicContact CZ-OD1 2.85Å; R82-D101 IonicContact NE-OD1 3.63Å; R82-D101 IonicContact NH1-OD1 3.56Å; R82-D101 PolarHBondContact NH1-OD1 3.01Å; N83-D101 WeakPolarHBondContact CB-OD2 3.5Å; N83-D101 PolarHBondContact N-OD1 3.44Å; N83-D101 PolarHBondContact N-OD2 3.17Å; N83-D101 VanDerWaalsContact N-OD2 3.11Å; T84-D101 PolarHBondContact OG1-OD1 3.09Å; T84-D101 VanDerWaalsContact OG1-OD1 3.11Å; Y99-D101 HydrophobicContact CE1-CB 3.92Å | ||
| 102 | Q | 97.7 | Very high | 94.8 | Very high | 70 Ų | 70 | 60 Ų | 60 | 33% | 0.327 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.3 | -175.9 | -178.5 | 176.1 | -7.9 | 0 | 0 | 111.2 | A80 I81 N83 L104 | A80-Q102 CarbonylContact C-O 3.59Å; A80-Q102 WeakPolarHBondContact CA-O 3.41Å; I81-Q102 HydrophobicContact CD1-CB 4.48Å; I81-Q102 HydrophobicContact CD1-CG 4.37Å; I81-Q102 HydrophobicContact CG1-CB 3.79Å; I81-Q102 HydrophobicContact CG1-CG 4.08Å; I81-Q102 PolarHBondContact N-O 2.82Å; I81-Q102 PolarHBondContact O-N 2.83Å; I81-Q102 VanDerWaalsContact O-N 3.1Å; N83-Q102 PolarHBondContact ND2-OE1 3.09Å; Q102-L104 HydrophobicContact CG-CD2 4.28Å |
| 103 | I | 98.1 | Very high | 95.3 | Very high | 57 Ų | 57 | 62.1 Ų | 62.1 | 29% | 0.292 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.1 | 175.8 | -54.8 | -53.5 | 0 | 0 | 0 | 109.2 | A80 V105 N106 F111 P113 | A80-I103 HydrophobicContact CB-CD1 3.67Å; I103-V105 WeakPolarHBondContact CG2-O 3.32Å; I103-N106 HydrophobicContact CG2-CB 3.77Å; I103-F111 HydrophobicContact CD1-CD1 3.57Å; I103-F111 HydrophobicContact CD1-CE1 3.47Å; I103-F111 VanDerWaalsContact CD1-CE1 3.47Å; I103-P113 HydrophobicContact CD1-CB 4.01Å; I103-P113 HydrophobicContact CG1-CB 3.88Å |
| 104 | L | 98.1 | Very high | 95.7 | Very high | 96 Ų | 96 | 62 Ų | 62 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -39.6 | 174.8 | -57.1 | -177.1 | 0 | 0 | 0 | 111.3 | S79 I81 Q102 | S79-L104 PolarHBondContact O-N 3.02Å; I81-L104 HydrophobicContact CD1-CD1 4.33Å; I81-L104 HydrophobicContact CD1-CD2 4.08Å; I81-L104 HydrophobicContact CD1-CG 4.42Å; I81-L104 HydrophobicContact CG1-CD2 4.41Å; I81-L104 HydrophobicContact CG1-CG 4.4Å; I81-L104 HydrophobicContact CG2-CD1 3.63Å; I81-L104 HydrophobicContact CG2-CG 4.17Å; Q102-L104 HydrophobicContact CG-CD2 4.28Å |
| 105 | V | 97.9 | Very high | 96.1 | Very high | 61 Ų | 61 | 54.1 Ų | 54.1 | 37% | 0.37 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 137.8 | -178.8 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | A77 F78 S79 I103 V107 | A77-V105 HydrophobicContact CB-CG1 4.25Å; F78-V105 CarbonylContact C-O 3.57Å; F78-V105 WeakPolarHBondContact CA-O 3.22Å; S79-V105 PolarHBondContact N-O 2.82Å; S79-V105 PolarHBondContact O-N 2.9Å; S79-V105 VanDerWaalsContact O-N 3.13Å; I103-V105 WeakPolarHBondContact CG2-O 3.32Å; V105-V107 HydrophobicContact CG1-CG2 3.85Å |
| 106 | N | 97.3 | Very high | 96.4 | Very high | 44 Ų | 44 | 51.3 Ų | 51.3 | 24% | 0.235 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 59.5 | 171.8 | -160.8 | 2.2 | 0 | 0 | 0 | 111.3 | A77 I103 G108 S109 H110 F111 | A77-N106 CarbonylContact O-C 3.45Å; A77-N106 WeakPolarHBondContact O-CA 3.47Å; I103-N106 HydrophobicContact CG2-CB 3.77Å; N106-G108 PolarHBondContact O-N 2.85Å; N106-S109 PolarHBondContact O-N 3.01Å; N106-S109 WeakPolarHBondContact OD1-CA 3.12Å; N106-H110 PolarHBondContact OD1-N 3.3Å; N106-F111 PolarHBondContact ND2-O 3.45Å; N106-F111 PolarHBondContact OD1-N 3.49Å |
| 107 | V | 95.9 | Very high | 96.6 | Very high | 64 Ų | 64 | 49.3 Ų | 49.3 | 39% | 0.388 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 120.5 | 177.7 | -176 | 0 | 0 | 0 | 0 | 108.9 | R75 A77 V105 | R75-V107 HydrophobicContact CB-CG1 4.03Å; R75-V107 WeakPolarHBondContact O-CG1 3.18Å; A77-V107 HydrophobicContact CB-CB 4.38Å; A77-V107 HydrophobicContact CB-CG2 4.42Å; A77-V107 PolarHBondContact N-O 3.11Å; A77-V107 PolarHBondContact O-N 3.11Å; V105-V107 HydrophobicContact CG1-CG2 3.85Å |
| 108 | G | 92.9 | Very high | 96.7 | Very high | 41 Ų | 41 | 48.3 Ų | 48.3 | 42% | 0.423 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | -7.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N106 H110 | N106-G108 PolarHBondContact O-N 2.85Å; G108-H110 VanDerWaalsContact C-N 3.29Å; G108-H110 PolarHBondContact O-CD2 3.1Å; G108-H110 PolarHBondContact O-CE1 2.83Å; G108-H110 PolarHBondContact O-N 3.41Å; G108-H110 PolarHBondContact O-ND1 2.8Å; G108-H110 PolarHBondContact O-NE2 3.13Å; G108-H110 VanDerWaalsContact O-NE2 3.17Å |
| 109 | S | 96.3 | Very high | 96.7 | Very high | 97 Ų | 97 | 50.8 Ų | 50.8 | 68% | 0.678 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 55.6 | 41.5 | -179.7 | -55.9 | 0 | 0 | 0 | 0 | 113.5 | N106 | N106-S109 PolarHBondContact O-N 3.01Å; N106-S109 WeakPolarHBondContact OD1-CA 3.12Å |
| 110 | H | 97.2 | Very high | 96.8 | Very high | 59 Ų | 59 | 47.2 Ų | 47.2 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | trans | -100.5 | -3.3 | -176.7 | -64.1 | -47.3 | 0 | 0 | 0 | 113.8 | N106 G108 F118 V119 P121 | N106-H110 PolarHBondContact OD1-N 3.3Å; G108-H110 VanDerWaalsContact C-N 3.29Å; G108-H110 PolarHBondContact O-CD2 3.1Å; G108-H110 PolarHBondContact O-CE1 2.83Å; G108-H110 PolarHBondContact O-N 3.41Å; G108-H110 PolarHBondContact O-ND1 2.8Å; G108-H110 PolarHBondContact O-NE2 3.13Å; G108-H110 VanDerWaalsContact O-NE2 3.17Å; H110-F118 HydrophobicContact CB-CD2 4.23Å; H110-F118 HydrophobicContact CB-CE2 3.76Å; H110-F118 HydrophobicContact CB-CZ 4.46Å; H110-F118 CarbonylContact O-C 3.52Å; H110-F118 WeakPolarHBondContact O-CA 2.9Å; H110-V119 WeakPolarHBondContact CB-O 3.35Å; H110-V119 PolarHBondContact O-N 3.07Å; H110-P121 VanDerWaalsContact CD2-CG 3.48Å; H110-P121 WeakPolarHBondContact CD2-CG 3.28Å; H110-P121 VanDerWaalsContact CE1-CB 3.47Å; H110-P121 WeakPolarHBondContact CE1-CB 3.45Å; H110-P121 WeakPolarHBondContact NE2-CB 3.48Å | ||
| 111 | F | 98.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 1% | 0.013 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122.2 | 167.4 | -174 | -94.6 | 0 | 0 | 0 | 109.8 | F78 A80 I103 N106 P113 F118 F199 | F78-F111 HydrophobicContact CB-CB 3.7Å; F78-F111 HydrophobicContact CB-CG 4.24Å; F78-F111 HydrophobicContact CD1-CD2 4.49Å; F78-F111 HydrophobicContact CD2-CB 4.07Å; F78-F111 HydrophobicContact CD2-CD1 4.48Å; F78-F111 AromaticContact CD2-CD2 3.34Å; F78-F111 HydrophobicContact CD2-CD2 3.34Å; F78-F111 AromaticContact CD2-CE2 3.81Å; F78-F111 HydrophobicContact CD2-CE2 3.81Å; F78-F111 AromaticContact CD2-CG 3.72Å; F78-F111 HydrophobicContact CD2-CG 3.72Å; F78-F111 AromaticContact CE2-CD2 3.51Å; F78-F111 HydrophobicContact CE2-CD2 3.51Å; F78-F111 AromaticContact CE2-CE2 3.64Å; F78-F111 HydrophobicContact CE2-CE2 3.64Å; F78-F111 HydrophobicContact CE2-CG 4.34Å; F78-F111 HydrophobicContact CG-CB 3.85Å; F78-F111 AromaticContact CG-CD2 3.88Å; F78-F111 HydrophobicContact CG-CD2 3.88Å; F78-F111 HydrophobicContact CG-CG 4.04Å; F78-F111 HydrophobicContact CZ-CD2 4.17Å; F78-F111 HydrophobicContact CZ-CE2 4.44Å; A80-F111 HydrophobicContact CB-CE1 3.87Å; A80-F111 HydrophobicContact CB-CZ 4Å; I103-F111 HydrophobicContact CD1-CD1 3.57Å; I103-F111 HydrophobicContact CD1-CE1 3.47Å; I103-F111 VanDerWaalsContact CD1-CE1 3.47Å; N106-F111 PolarHBondContact ND2-O 3.45Å; N106-F111 PolarHBondContact OD1-N 3.49Å; F111-P113 WeakPolarHBondContact O-CD 3.27Å; F111-F118 HydrophobicContact CD2-CB 4.09Å; F111-F199 AromaticContact CE2-CD1 3.86Å; F111-F199 HydrophobicContact CE2-CD1 3.86Å; F111-F199 AromaticContact CE2-CE1 3.92Å; F111-F199 HydrophobicContact CE2-CE1 3.92Å; F111-F199 HydrophobicContact CZ-CD1 4.38Å |
| 112 | D | 97.4 | Very high | 96.8 | Very high | 70 Ų | 70 | 50 Ų | 50 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 111.7 | 175.4 | -177 | -8.1 | 0 | 0 | 0 | 110 | A114 T115 S116 I117 | D112-A114 PolarHBondContact O-N 2.85Å; D112-A114 WeakPolarHBondContact OD1-CB 3.13Å; D112-A114 PolarHBondContact OD1-N 2.9Å; D112-T115 PolarHBondContact O-N 3.01Å; D112-T115 PolarHBondContact OD2-OG1 3.3Å; D112-S116 VanDerWaalsContact O-CA 3.28Å; D112-S116 WeakPolarHBondContact O-CA 3.38Å; D112-S116 PolarHBondContact O-N 2.85Å; D112-I117 PolarHBondContact N-O 3.03Å; D112-I117 PolarHBondContact O-N 3.48Å |
| 113 | P | 93.5 | Very high | 96.8 | Very high | 56 Ų | 56 | 50.4 Ų | 50.4 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -15.5 | 179.6 | 31.4 | -36.7 | 0 | 0 | 0 | 113.4 | Y99 I103 F111 | Y99-P113 WeakPolarHBondContact CE2-O 3.36Å; Y99-P113 PolarHBondContact OH-O 3Å; I103-P113 HydrophobicContact CD1-CB 4.01Å; I103-P113 HydrophobicContact CG1-CB 3.88Å; F111-P113 WeakPolarHBondContact O-CD 3.27Å |
| 114 | A | 93.2 | Very high | 96.8 | Very high | 74 Ų | 74 | 47.7 Ų | 47.7 | 61% | 0.612 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -31.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y99 D112 | Y99-A114 WeakPolarHBondContact CE2-O 3.37Å; D112-A114 PolarHBondContact O-N 2.85Å; D112-A114 WeakPolarHBondContact OD1-CB 3.13Å; D112-A114 PolarHBondContact OD1-N 2.9Å |
| 115 | T | 95.2 | Very high | 96.7 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 35% | 0.35 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -11.6 | -178.6 | 65.9 | 0 | 0 | 0 | 0 | 113.7 | D112 I117 | D112-T115 PolarHBondContact O-N 3.01Å; D112-T115 PolarHBondContact OD2-OG1 3.3Å; T115-I117 VanDerWaalsContact C-N 3.27Å; T115-I117 PolarHBondContact O-N 2.8Å; T115-I117 WeakPolarHBondContact OG1-CB 3.31Å; T115-I117 WeakPolarHBondContact OG1-CG1 3.33Å; T115-I117 PolarHBondContact OG1-N 3.04Å |
| 116 | S | 97.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 39.2 | -168.1 | -70.3 | 0 | 0 | 0 | 0 | 113.6 | I98 Y99 F100 D112 | I98-S116 WeakPolarHBondContact O-CB 3.35Å; Y99-S116 WeakPolarHBondContact CA-OG 3.39Å; F100-S116 PolarHBondContact N-OG 2.85Å; D112-S116 VanDerWaalsContact O-CA 3.28Å; D112-S116 WeakPolarHBondContact O-CA 3.38Å; D112-S116 PolarHBondContact O-N 2.85Å |
| 117 | I | 98.4 | Very high | 96.7 | Very high | 32 Ų | 32 | 40.4 Ų | 40.4 | 16% | 0.164 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.5 | -178.5 | -60.8 | 173.3 | 0 | 0 | 0 | 109.2 | D112 T115 V119 K180 Y182 | D112-I117 PolarHBondContact N-O 3.03Å; D112-I117 PolarHBondContact O-N 3.48Å; T115-I117 VanDerWaalsContact C-N 3.27Å; T115-I117 PolarHBondContact O-N 2.8Å; T115-I117 WeakPolarHBondContact OG1-CB 3.31Å; T115-I117 WeakPolarHBondContact OG1-CG1 3.33Å; T115-I117 PolarHBondContact OG1-N 3.04Å; I117-V119 HydrophobicContact CG2-CG2 4.27Å; I117-K180 HydrophobicContact CG2-CB 3.84Å; I117-K180 HydrophobicContact CG2-CD 4.34Å; I117-K180 HydrophobicContact CG2-CG 4.15Å; I117-Y182 HydrophobicContact CG1-CD1 4.27Å; I117-Y182 HydrophobicContact CG1-CG 4.24Å; I117-Y182 HydrophobicContact CG2-CD1 4.48Å |
| 118 | F | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 134.4 | 165.7 | 177.5 | -99.3 | 0 | 0 | 0 | 110.2 | V76 F78 H110 F111 A120 Y126 F128 M175 K180 A181 | V76-F118 HydrophobicContact CG1-CE2 3.74Å; V76-F118 HydrophobicContact CG1-CZ 3.69Å; F78-F118 HydrophobicContact CD1-CB 4.42Å; F78-F118 AromaticContact CD1-CD2 3.39Å; F78-F118 HydrophobicContact CD1-CD2 3.39Å; F78-F118 AromaticContact CD1-CE2 3.86Å; F78-F118 HydrophobicContact CD1-CE2 3.86Å; F78-F118 HydrophobicContact CD1-CG 4.06Å; F78-F118 HydrophobicContact CE1-CB 3.93Å; F78-F118 AromaticContact CE1-CD2 3.59Å; F78-F118 HydrophobicContact CE1-CD2 3.59Å; F78-F118 HydrophobicContact CE1-CE2 4.23Å; F78-F118 AromaticContact CE1-CG 3.76Å; F78-F118 HydrophobicContact CE1-CG 3.76Å; F78-F118 HydrophobicContact CG-CD2 4.26Å; F78-F118 HydrophobicContact CZ-CB 4.19Å; F78-F118 HydrophobicContact CZ-CG 4.5Å; H110-F118 HydrophobicContact CB-CD2 4.23Å; H110-F118 HydrophobicContact CB-CE2 3.76Å; H110-F118 HydrophobicContact CB-CZ 4.46Å; H110-F118 CarbonylContact O-C 3.52Å; H110-F118 WeakPolarHBondContact O-CA 2.9Å; F111-F118 HydrophobicContact CD2-CB 4.09Å; F118-A120 HydrophobicContact CE1-CB 4.25Å; F118-Y126 AromaticContact CE1-CD1 3.83Å; F118-Y126 HydrophobicContact CE1-CD1 3.83Å; F118-Y126 AromaticContact CE1-CE1 3.83Å; F118-Y126 HydrophobicContact CE1-CE1 3.83Å; F118-Y126 AromaticContact CZ-CD1 3.87Å; F118-Y126 HydrophobicContact CZ-CD1 3.87Å; F118-Y126 AromaticContact CZ-CE1 3.64Å; F118-Y126 HydrophobicContact CZ-CE1 3.64Å; F118-F128 HydrophobicContact CB-CE1 4.32Å; F118-F128 AromaticContact CD1-CE1 3.88Å; F118-F128 HydrophobicContact CD1-CE1 3.88Å; F118-F128 AromaticContact CD1-CZ 3.65Å; F118-F128 HydrophobicContact CD1-CZ 3.65Å; F118-F128 HydrophobicContact CE1-CE1 4.47Å; F118-F128 HydrophobicContact CE1-CZ 4Å; F118-F128 HydrophobicContact CG-CE1 4.16Å; F118-F128 HydrophobicContact CG-CZ 4.39Å; F118-M175 HydrophobicContact CD1-CE 4.24Å; F118-M175 HydrophobicContact CD1-SD 4.43Å; F118-M175 HydrophobicContact CE1-CE 4.39Å; F118-M175 HydrophobicContact CE1-SD 4.25Å; F118-K180 CarbonylContact O-C 3.58Å; F118-K180 WeakPolarHBondContact O-CA 3.33Å; F118-A181 HydrophobicContact CB-CB 4.41Å; F118-A181 HydrophobicContact CD1-CB 4.36Å; F118-A181 PolarHBondContact N-O 3.07Å; F118-A181 PolarHBondContact O-N 2.91Å |
| 119 | V | 98.6 | Very high | 97.1 | Very high | 53 Ų | 53 | 36.9 Ų | 36.9 | 32% | 0.321 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.5 | 175.6 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | H110 I117 P121 D179 K180 | H110-V119 WeakPolarHBondContact CB-O 3.35Å; H110-V119 PolarHBondContact O-N 3.07Å; I117-V119 HydrophobicContact CG2-CG2 4.27Å; V119-P121 VanDerWaalsContact O-CD 3.29Å; V119-P121 WeakPolarHBondContact O-CD 3.35Å; V119-D179 CarbonylContact C-O 3.51Å; V119-D179 WeakPolarHBondContact CA-O 3.34Å; V119-K180 HydrophobicContact CG2-CG 4.33Å |
| 120 | A | 98.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | trans | -63.4 | 120.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | F118 R122 Y126 M175 E176 R177 G178 D179 | F118-A120 HydrophobicContact CE1-CB 4.25Å; A120-R122 VanDerWaalsContact C-N 3.29Å; A120-R122 PolarHBondContact O-N 2.84Å; A120-Y126 HydrophobicContact CB-CE2 4.05Å; A120-M175 HydrophobicContact CB-CB 3.81Å; A120-M175 HydrophobicContact CB-CE 3.79Å; A120-M175 HydrophobicContact CB-SD 4.25Å; A120-E176 VanDerWaalsContact CB-O 3.28Å; A120-E176 WeakPolarHBondContact CB-O 3.39Å; A120-R177 WeakPolarHBondContact O-CA 3.33Å; A120-G178 PolarHBondContact O-N 3.25Å; A120-D179 HydrophobicContact CB-CB 4.45Å; A120-D179 PolarHBondContact N-O 2.82Å | ||
| 121 | P | 97.1 | Very high | 97.2 | Very high | 34 Ų | 34 | 32.9 Ų | 32.9 | 22% | 0.221 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -75.1 | -19.8 | 179.8 | 28.8 | -36.7 | 0 | 0 | 0 | 113.7 | V76 H110 V119 Y126 R177 | V76-P121 HydrophobicContact CG1-CG 4.29Å; V76-P121 HydrophobicContact CG2-CG 3.68Å; H110-P121 VanDerWaalsContact CD2-CG 3.48Å; H110-P121 WeakPolarHBondContact CD2-CG 3.28Å; H110-P121 VanDerWaalsContact CE1-CB 3.47Å; H110-P121 WeakPolarHBondContact CE1-CB 3.45Å; H110-P121 WeakPolarHBondContact NE2-CB 3.48Å; V119-P121 VanDerWaalsContact O-CD 3.29Å; V119-P121 WeakPolarHBondContact O-CD 3.35Å; P121-Y126 WeakPolarHBondContact CD-OH 3.43Å; P121-R177 WeakPolarHBondContact O-CD 3.34Å; P121-R177 WeakPolarHBondContact O-CG 3.38Å |
| 122 | R | 96.2 | Very high | 97.1 | Very high | 78 Ų | 78 | 32.7 Ų | 32.7 | 29% | 0.294 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -158.1 | 163.9 | -176.5 | 64.3 | -176.3 | -61.2 | 165.9 | 1.6 | 111.3 | A120 Y126 L203 | A120-R122 VanDerWaalsContact C-N 3.29Å; A120-R122 PolarHBondContact O-N 2.84Å; R122-Y126 PolarHBondContact O-OH 2.93Å; R122-L203 HydrophobicContact CG-CD2 4.42Å |
| 123 | K | 97.4 | Very high | 97 | Very high | 80 Ų | 80 | 30.6 Ų | 30.6 | 35% | 0.348 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -61.9 | 135.2 | 172.2 | -168.8 | -177.1 | 179.1 | 129.4 | 0 | 111.3 | M175 E176 P206 L207 | K123-M175 VanDerWaalsContact CA-O 3.26Å; K123-M175 WeakPolarHBondContact CA-O 3.34Å; K123-E176 WeakPolarHBondContact CD-OE1 3.18Å; K123-E176 WeakPolarHBondContact CD-OE2 3.45Å; K123-E176 VanDerWaalsContact CE-OE1 3.22Å; K123-E176 WeakPolarHBondContact CE-OE1 3.16Å; K123-E176 VanDerWaalsContact CG-OE2 3.32Å; K123-E176 WeakPolarHBondContact CG-OE2 3.28Å; K123-E176 IonicContact NZ-OE1 3.53Å; K123-E176 PolarHBondContact NZ-OE1 2.76Å; K123-E176 IonicContact NZ-OE2 2.82Å; K123-P206 WeakPolarHBondContact O-CA 3.48Å; K123-L207 HydrophobicContact CD-CB 4.13Å; K123-L207 HydrophobicContact CG-CB 4.08Å; K123-L207 PolarHBondContact O-N 2.94Å; K123-L207 VanDerWaalsContact O-N 3.1Å |
| 124 | G | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.7 | 178.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y126 M175 F205 | G124-Y126 WeakPolarHBondContact O-CD2 3.45Å; G124-M175 PolarHBondContact N-O 2.99Å; G124-M175 PolarHBondContact O-N 2.95Å; G124-F205 WeakPolarHBondContact CA-O 3.32Å |
| 125 | V | 96.8 | Very high | 95.9 | Very high | 25 Ų | 25 | 25.2 Ų | 25.2 | 15% | 0.152 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 123.2 | 174.1 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | L172 V173 V204 F205 L207 | V125-L172 HydrophobicContact CG1-CB 4.23Å; V125-L172 HydrophobicContact CG1-CD2 4.47Å; V125-V173 WeakPolarHBondContact CA-O 3.5Å; V125-V204 HydrophobicContact CG1-CG2 4.45Å; V125-V204 WeakPolarHBondContact O-CB 3.15Å; V125-V204 PolarHBondContact O-N 2.81Å; V125-F205 HydrophobicContact CB-CD2 4.38Å; V125-F205 HydrophobicContact CB-CE1 4.32Å; V125-F205 HydrophobicContact CB-CE2 3.87Å; V125-F205 HydrophobicContact CB-CZ 3.82Å; V125-F205 HydrophobicContact CG1-CZ 4.39Å; V125-F205 HydrophobicContact CG2-CD2 4.29Å; V125-F205 HydrophobicContact CG2-CE2 3.44Å; V125-F205 VanDerWaalsContact CG2-CE2 3.44Å; V125-F205 HydrophobicContact CG2-CZ 3.57Å; V125-F205 PolarHBondContact N-O 2.92Å; V125-L207 HydrophobicContact CG2-CD1 4.37Å |
| 126 | Y | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 141.2 | -179 | -67.2 | -97.3 | 0 | 0 | 0 | 110.5 | V76 F118 A120 P121 R122 G124 L172 V173 M175 F202 L203 | V76-Y126 HydrophobicContact CG1-CE1 4.26Å; F118-Y126 AromaticContact CE1-CD1 3.83Å; F118-Y126 HydrophobicContact CE1-CD1 3.83Å; F118-Y126 AromaticContact CE1-CE1 3.83Å; F118-Y126 HydrophobicContact CE1-CE1 3.83Å; F118-Y126 AromaticContact CZ-CD1 3.87Å; F118-Y126 HydrophobicContact CZ-CD1 3.87Å; F118-Y126 AromaticContact CZ-CE1 3.64Å; F118-Y126 HydrophobicContact CZ-CE1 3.64Å; A120-Y126 HydrophobicContact CB-CE2 4.05Å; P121-Y126 WeakPolarHBondContact CD-OH 3.43Å; R122-Y126 PolarHBondContact O-OH 2.93Å; G124-Y126 WeakPolarHBondContact O-CD2 3.45Å; Y126-L172 CarbonylContact O-C 3.54Å; Y126-L172 VanDerWaalsContact O-CA 3.3Å; Y126-L172 WeakPolarHBondContact O-CA 3.45Å; Y126-V173 PolarHBondContact N-O 3Å; Y126-V173 PolarHBondContact O-N 3.19Å; Y126-M175 HydrophobicContact CD2-CB 3.67Å; Y126-M175 HydrophobicContact CD2-CG 3.8Å; Y126-M175 HydrophobicContact CD2-SD 3.87Å; Y126-M175 HydrophobicContact CE2-CB 3.78Å; Y126-M175 HydrophobicContact CE2-CG 4.38Å; Y126-M175 HydrophobicContact CE2-SD 4.49Å; Y126-M175 HydrophobicContact CG-CG 4.41Å; Y126-M175 HydrophobicContact CG-SD 3.95Å; Y126-F202 WeakPolarHBondContact CA-O 3.46Å; Y126-L203 HydrophobicContact CD1-CB 4.07Å; Y126-L203 HydrophobicContact CD1-CD1 4.28Å; Y126-L203 HydrophobicContact CD2-CD1 4.29Å; Y126-L203 HydrophobicContact CE1-CB 3.76Å; Y126-L203 HydrophobicContact CE1-CD1 3.87Å; Y126-L203 HydrophobicContact CE1-CG 4.36Å; Y126-L203 HydrophobicContact CE2-CD1 3.89Å; Y126-L203 HydrophobicContact CG-CD1 4.48Å |
| 127 | S | 97.5 | Very high | 93.1 | Very high | 22 Ų | 22 | 31.2 Ų | 31.2 | 15% | 0.154 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133.9 | 171.3 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | G201 F202 | S127-G201 CarbonylContact O-C 3.58Å; S127-G201 WeakPolarHBondContact O-CA 3.32Å; S127-F202 PolarHBondContact N-O 2.77Å; S127-F202 PolarHBondContact O-N 2.96Å |
| 128 | F | 98.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139.4 | 172.6 | -65.9 | -83.3 | 0 | 0 | 0 | 110.3 | F78 F118 L145 A170 G171 V173 M175 A181 F199 S200 | F78-F128 AromaticContact CE1-CD1 3.99Å; F78-F128 HydrophobicContact CE1-CD1 3.99Å; F78-F128 AromaticContact CE1-CE1 3.62Å; F78-F128 HydrophobicContact CE1-CE1 3.62Å; F78-F128 AromaticContact CZ-CD1 3.89Å; F78-F128 HydrophobicContact CZ-CD1 3.89Å; F78-F128 AromaticContact CZ-CE1 3.84Å; F78-F128 HydrophobicContact CZ-CE1 3.84Å; F118-F128 HydrophobicContact CB-CE1 4.32Å; F118-F128 AromaticContact CD1-CE1 3.88Å; F118-F128 HydrophobicContact CD1-CE1 3.88Å; F118-F128 AromaticContact CD1-CZ 3.65Å; F118-F128 HydrophobicContact CD1-CZ 3.65Å; F118-F128 HydrophobicContact CE1-CE1 4.47Å; F118-F128 HydrophobicContact CE1-CZ 4Å; F118-F128 HydrophobicContact CG-CE1 4.16Å; F118-F128 HydrophobicContact CG-CZ 4.39Å; F128-L145 HydrophobicContact CB-CD1 4.32Å; F128-L145 HydrophobicContact CB-CD2 3.73Å; F128-L145 HydrophobicContact CD1-CD1 4.47Å; F128-L145 HydrophobicContact CD2-CD2 4.05Å; F128-L145 HydrophobicContact CG-CD1 4.26Å; F128-L145 HydrophobicContact CG-CD2 4.04Å; F128-A170 CarbonylContact O-C 3.58Å; F128-A170 WeakPolarHBondContact O-CA 3.34Å; F128-A170 WeakPolarHBondContact O-CB 3.34Å; F128-G171 PolarHBondContact N-O 2.92Å; F128-G171 PolarHBondContact O-N 2.96Å; F128-V173 HydrophobicContact CD2-CG2 3.69Å; F128-V173 HydrophobicContact CE2-CG2 3.48Å; F128-V173 VanDerWaalsContact CE2-CG2 3.48Å; F128-M175 HydrophobicContact CE2-SD 3.58Å; F128-M175 VanDerWaalsContact CE2-SD 3.58Å; F128-M175 HydrophobicContact CZ-SD 3.62Å; F128-A181 HydrophobicContact CE1-CB 3.8Å; F128-A181 HydrophobicContact CE2-CB 4.14Å; F128-A181 HydrophobicContact CZ-CB 3.54Å; F128-F199 HydrophobicContact CB-CE2 4.39Å; F128-F199 AromaticContact CD1-CE2 3.78Å; F128-F199 HydrophobicContact CD1-CE2 3.78Å; F128-F199 AromaticContact CD1-CZ 3.91Å; F128-F199 HydrophobicContact CD1-CZ 3.91Å; F128-F199 HydrophobicContact CE1-CZ 4.32Å; F128-F199 HydrophobicContact CG-CE2 4.49Å; F128-S200 WeakPolarHBondContact CA-O 3.35Å |
| 129 | S | 98 | Very high | 91 | Very high | 31 Ų | 31 | 45.2 Ų | 45.2 | 22% | 0.217 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 140.5 | 171.5 | -171.7 | 0 | 0 | 0 | 0 | 109.5 | S200 | S129-S200 PolarHBondContact N-O 2.85Å; S129-S200 PolarHBondContact O-N 2.68Å |
| 130 | F | 98.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 148.3 | 174.6 | 67.2 | -91.7 | 0 | 0 | 0 | 112.1 | V132 V143 L145 I153 A155 T168 N169 L183 T198 F199 | F130-V132 HydrophobicContact CD2-CG2 4.27Å; F130-V143 HydrophobicContact CD2-CG1 4.03Å; F130-V143 HydrophobicContact CE2-CB 4.06Å; F130-V143 HydrophobicContact CE2-CG1 3.66Å; F130-V143 HydrophobicContact CZ-CG1 4.29Å; F130-L145 HydrophobicContact CE1-CB 4.15Å; F130-I153 HydrophobicContact CE1-CD1 4.13Å; F130-I153 HydrophobicContact CE1-CG1 4.25Å; F130-A155 HydrophobicContact CE2-CB 3.94Å; F130-A155 HydrophobicContact CZ-CB 4.09Å; F130-T168 WeakPolarHBondContact O-CA 3.36Å; F130-N169 WeakPolarHBondContact CD1-O 3.37Å; F130-N169 HydrophobicContact CE1-CB 3.7Å; F130-N169 HydrophobicContact CE2-CB 4.3Å; F130-N169 HydrophobicContact CZ-CB 3.54Å; F130-N169 PolarHBondContact N-O 2.92Å; F130-N169 PolarHBondContact O-N 2.91Å; F130-L183 HydrophobicContact CB-CD1 3.49Å; F130-L183 VanDerWaalsContact CB-CD1 3.49Å; F130-L183 HydrophobicContact CB-CD2 4.02Å; F130-L183 HydrophobicContact CB-CG 4.38Å; F130-L183 HydrophobicContact CD1-CD2 3.68Å; F130-L183 HydrophobicContact CD2-CD1 4.23Å; F130-L183 HydrophobicContact CD2-CD2 4.42Å; F130-L183 HydrophobicContact CE1-CD2 4.21Å; F130-L183 HydrophobicContact CG-CD1 3.9Å; F130-L183 HydrophobicContact CG-CD2 3.79Å; F130-T198 WeakPolarHBondContact CA-O 3.16Å; F130-F199 HydrophobicContact CB-CD2 4.05Å |
| 131 | H | 97.6 | Very high | 90.3 | Very high | 71 Ų | 71 | 45.5 Ų | 45.5 | 33% | 0.329 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 109.4 | 170.9 | -57.8 | -98 | 0 | 0 | 0 | 107.1 | T168 S197 T198 | H131-T168 WeakPolarHBondContact CE1-CG2 3.09Å; H131-T168 WeakPolarHBondContact ND1-CG2 3.38Å; H131-T168 PolarHBondContact ND1-OG1 3.09Å; H131-S197 CarbonylContact O-C 3.48Å; H131-S197 WeakPolarHBondContact O-CA 3.46Å; H131-S197 WeakPolarHBondContact O-CB 3.47Å; H131-T198 PolarHBondContact CD2-OG1 2.77Å; H131-T198 PolarHBondContact N-O 2.89Å; H131-T198 PolarHBondContact O-N 3.09Å |
| 132 | V | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 105.5 | 176.2 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | I98 F130 I141 V143 A166 A167 L183 L190 S197 | I98-V132 HydrophobicContact CD1-CG1 4.24Å; I98-V132 HydrophobicContact CD1-CG2 3.94Å; F130-V132 HydrophobicContact CD2-CG2 4.27Å; V132-I141 HydrophobicContact CG1-CD1 4.38Å; V132-V143 HydrophobicContact CB-CG2 4.01Å; V132-V143 HydrophobicContact CG1-CG2 4.11Å; V132-V143 HydrophobicContact CG2-CG1 3.89Å; V132-V143 HydrophobicContact CG2-CG2 4.15Å; V132-A166 CarbonylContact O-C 3.56Å; V132-A166 VanDerWaalsContact O-CA 3.29Å; V132-A166 WeakPolarHBondContact O-CA 3.3Å; V132-A167 HydrophobicContact CB-CB 4.49Å; V132-A167 PolarHBondContact N-O 2.85Å; V132-A167 PolarHBondContact O-N 2.83Å; V132-L183 HydrophobicContact CG2-CD1 4.14Å; V132-L190 HydrophobicContact CG1-CD2 4.08Å; V132-S197 WeakPolarHBondContact CA-OG 3.22Å |
| 133 | V | 94 | Very high | 90.4 | Very high | 25 Ų | 25 | 42.4 Ų | 42.4 | 15% | 0.152 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.4 | -178.2 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | E165 A166 W194 S197 | V133-E165 WeakPolarHBondContact CA-O 3.19Å; V133-A166 HydrophobicContact CG2-CB 4.17Å; V133-W194 CarbonylContact O-C 3.52Å; V133-W194 WeakPolarHBondContact O-CA 3.3Å; V133-W194 WeakPolarHBondContact O-CB 3.25Å; V133-S197 PolarHBondContact N-OG 2.89Å; V133-S197 PolarHBondContact O-OG 3.05Å |
| 134 | K | 87.5 | Confident | 90.4 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 2% | 0.022 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.6 | 172.2 | -173.5 | 171.7 | 171.1 | -167.7 | 0 | 109.9 | N137 I141 R164 E165 N189 L190 | K134-N137 HydrophobicContact CD-CB 4.41Å; K134-N137 WeakPolarHBondContact CD-OD1 2.92Å; K134-N137 WeakPolarHBondContact CE-OD1 3.41Å; K134-N137 HydrophobicContact CG-CB 4.41Å; K134-N137 PolarHBondContact NZ-OD1 2.87Å; K134-N137 VanDerWaalsContact NZ-OD1 3.09Å; K134-I141 HydrophobicContact CB-CD1 4.27Å; K134-I141 HydrophobicContact CD-CD1 4.36Å; K134-I141 HydrophobicContact CD-CG2 3.89Å; K134-R164 WeakPolarHBondContact O-CA 3.38Å; K134-E165 PolarHBondContact N-O 3.46Å; K134-E165 PolarHBondContact O-N 3.41Å; K134-N189 VanDerWaalsContact CE-O 3.29Å; K134-N189 WeakPolarHBondContact CE-O 3.38Å; K134-N189 PolarHBondContact NZ-O 3.2Å; K134-L190 HydrophobicContact CD-CD2 4.47Å |
| 135 | V | 77.8 | Confident | 90.5 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 7% | 0.073 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 139.8 | 173.9 | -168.2 | 0 | 0 | 0 | 0 | 107.8 | R164 | V135-R164 HydrophobicContact CB-CG 4.39Å; V135-R164 HydrophobicContact CG1-CG 3.99Å; V135-R164 HydrophobicContact CG2-CG 4.17Å |
| 136 | Y | 68.3 | Low | 90.6 | Very high | 181 Ų | 181 | 37.6 Ų | 37.6 | 71% | 0.71 | 17% | 0.172 | S | C | * | . | S | Bend | trans | 63 | 54.6 | -176.5 | -53.9 | -73 | 0 | 0 | 0 | 113.5 | R138 T163 | Y136-R138 PolarHBondContact O-N 2.89Å; Y136-R138 VanDerWaalsContact O-N 3.12Å; Y136-T163 PolarHBondContact N-O 2.89Å |
| 137 | N | 65.6 | Low | 90.7 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | trans | -80.3 | 94 | -176.9 | -159.1 | 18.7 | 0 | 0 | 0 | 112.5 | K134 Q139 A157 G158 E165 | K134-N137 HydrophobicContact CD-CB 4.41Å; K134-N137 WeakPolarHBondContact CD-OD1 2.92Å; K134-N137 WeakPolarHBondContact CE-OD1 3.41Å; K134-N137 HydrophobicContact CG-CB 4.41Å; K134-N137 PolarHBondContact NZ-OD1 2.87Å; K134-N137 VanDerWaalsContact NZ-OD1 3.09Å; N137-Q139 PolarHBondContact OD1-O 2.83Å; N137-A157 VanDerWaalsContact ND2-C 3.31Å; N137-A157 PolarHBondContact ND2-O 3.41Å; N137-G158 WeakPolarHBondContact ND2-CA 3.48Å; N137-G158 PolarHBondContact ND2-N 2.9Å; N137-E165 PolarHBondContact ND2-OE2 2.9Å | ||
| 138 | R | 70.8 | Confident | 90.6 | Very high | 222 Ų | 222 | 41.7 Ų | 41.7 | 84% | 0.838 | 19% | 0.192 | S | C | * | . | trans | -91.6 | -1.4 | 169.7 | -68.1 | -171.4 | 176.7 | -178 | -0.9 | 114 | Y136 | Y136-R138 PolarHBondContact O-N 2.89Å; Y136-R138 VanDerWaalsContact O-N 3.12Å | ||
| 139 | Q | 81.2 | Confident | 90.5 | Very high | 106 Ų | 106 | 43.6 Ų | 43.6 | 50% | 0.495 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -145.1 | 127 | -174.1 | -76.6 | -175.8 | -16.7 | 0 | 0 | 111.5 | N137 I141 N189 | N137-Q139 PolarHBondContact OD1-O 2.83Å; Q139-I141 PolarHBondContact O-N 2.74Å; Q139-N189 PolarHBondContact OE1-ND2 2.79Å |
| 140 | T | 89.2 | Confident | 90.5 | Very high | 60 Ų | 60 | 51.7 Ų | 51.7 | 37% | 0.368 | 24% | 0.238 | S | C | . | . | trans | -53.9 | 125.1 | 175.8 | -44.6 | 0 | 0 | 0 | 0 | 112.2 | A157 | T140-A157 CarbonylContact C-O 3.58Å; T140-A157 VanDerWaalsContact CA-O 3.31Å; T140-A157 WeakPolarHBondContact CA-O 3.34Å | ||
| 141 | I | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 147.2 | 170.4 | 61.7 | 167.4 | 0 | 0 | 0 | 110.4 | V132 K134 Q139 V143 F156 A157 A167 L185 R187 N189 L190 | V132-I141 HydrophobicContact CG1-CD1 4.38Å; K134-I141 HydrophobicContact CB-CD1 4.27Å; K134-I141 HydrophobicContact CD-CD1 4.36Å; K134-I141 HydrophobicContact CD-CG2 3.89Å; Q139-I141 PolarHBondContact O-N 2.74Å; I141-V143 HydrophobicContact CD1-CG2 4.21Å; I141-F156 VanDerWaalsContact O-CA 3.3Å; I141-F156 WeakPolarHBondContact O-CA 3.34Å; I141-A157 HydrophobicContact CD1-CB 4.16Å; I141-A157 HydrophobicContact CG1-CB 3.8Å; I141-A157 VanDerWaalsContact CG1-O 3.31Å; I141-A157 WeakPolarHBondContact CG1-O 3.26Å; I141-A157 PolarHBondContact N-O 3.36Å; I141-A157 PolarHBondContact O-N 3.33Å; I141-A157 VanDerWaalsContact O-N 3.11Å; I141-A167 HydrophobicContact CD1-CB 4.28Å; I141-L185 HydrophobicContact CB-CD1 3.94Å; I141-L185 HydrophobicContact CG2-CD1 4.18Å; I141-R187 VanDerWaalsContact CA-O 3.28Å; I141-R187 WeakPolarHBondContact CA-O 3.44Å; I141-N189 WeakPolarHBondContact CG2-O 3.4Å; I141-L190 HydrophobicContact CD1-CD2 4.28Å |
| 142 | Q | 96.6 | Very high | 90.5 | Very high | 47 Ų | 47 | 55 Ų | 55 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 120.6 | 167.5 | 179.8 | -178.4 | -12.7 | 0 | 0 | 108.3 | A155 F156 L185 E186 R187 | Q142-A155 WeakPolarHBondContact CA-O 3.22Å; Q142-F156 HydrophobicContact CB-CD1 3.8Å; Q142-F156 HydrophobicContact CB-CE1 3.64Å; Q142-F156 HydrophobicContact CB-CZ 4.49Å; Q142-F156 VanDerWaalsContact CD-CE1 3.47Å; Q142-F156 HydrophobicContact CG-CD1 3.95Å; Q142-F156 HydrophobicContact CG-CE1 3.43Å; Q142-F156 VanDerWaalsContact CG-CE1 3.43Å; Q142-F156 HydrophobicContact CG-CZ 3.8Å; Q142-L185 CarbonylContact O-C 3.54Å; Q142-E186 HydrophobicContact CB-CB 4.36Å; Q142-E186 HydrophobicContact CG-CB 4.12Å; Q142-E186 PolarHBondContact O-N 3.43Å; Q142-R187 HydrophobicContact CB-CB 3.71Å; Q142-R187 PolarHBondContact N-O 3.06Å; Q142-R187 PolarHBondContact O-N 2.95Å |
| 143 | V | 98.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.6 | 177.5 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | I98 F130 V132 I141 S154 A155 A167 L183 K184 L185 | I98-V143 HydrophobicContact CD1-CB 4.37Å; I98-V143 HydrophobicContact CD1-CG1 3.66Å; I98-V143 HydrophobicContact CD1-CG2 3.84Å; F130-V143 HydrophobicContact CD2-CG1 4.03Å; F130-V143 HydrophobicContact CE2-CB 4.06Å; F130-V143 HydrophobicContact CE2-CG1 3.66Å; F130-V143 HydrophobicContact CZ-CG1 4.29Å; V132-V143 HydrophobicContact CB-CG2 4.01Å; V132-V143 HydrophobicContact CG1-CG2 4.11Å; V132-V143 HydrophobicContact CG2-CG1 3.89Å; V132-V143 HydrophobicContact CG2-CG2 4.15Å; I141-V143 HydrophobicContact CD1-CG2 4.21Å; V143-S154 CarbonylContact O-C 3.59Å; V143-S154 VanDerWaalsContact O-CA 3.25Å; V143-S154 WeakPolarHBondContact O-CA 2.96Å; V143-A155 PolarHBondContact N-O 2.97Å; V143-A155 PolarHBondContact O-N 2.66Å; V143-A167 HydrophobicContact CB-CB 4.17Å; V143-A167 HydrophobicContact CG2-CB 3.95Å; V143-L183 HydrophobicContact CG1-CB 4.38Å; V143-K184 WeakPolarHBondContact CA-O 3.29Å; V143-L185 HydrophobicContact CG2-CD1 4.15Å |
| 144 | S | 98.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137 | 178.2 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | I153 S154 L183 K184 E186 | S144-I153 CarbonylContact C-O 3.44Å; S144-I153 VanDerWaalsContact CA-O 3.29Å; S144-I153 WeakPolarHBondContact CA-O 3.32Å; S144-S154 PolarHBondContact OG-OG 3.11Å; S144-L183 WeakPolarHBondContact O-CA 3.35Å; S144-K184 PolarHBondContact N-O 2.93Å; S144-K184 PolarHBondContact O-N 2.68Å; S144-E186 WeakPolarHBondContact OG-CG 3.37Å |
| 145 | L | 98.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 120.7 | 159.1 | 177.6 | 67.4 | 0 | 0 | 0 | 107.6 | F128 F130 V152 I153 A181 L183 F199 | F128-L145 HydrophobicContact CB-CD1 4.32Å; F128-L145 HydrophobicContact CB-CD2 3.73Å; F128-L145 HydrophobicContact CD1-CD1 4.47Å; F128-L145 HydrophobicContact CD2-CD2 4.05Å; F128-L145 HydrophobicContact CG-CD1 4.26Å; F128-L145 HydrophobicContact CG-CD2 4.04Å; F130-L145 HydrophobicContact CE1-CB 4.15Å; L145-V152 PolarHBondContact O-N 2.9Å; L145-I153 HydrophobicContact CB-CD1 4.37Å; L145-I153 HydrophobicContact CB-CG1 3.67Å; L145-I153 HydrophobicContact CD2-CD1 4.1Å; L145-I153 HydrophobicContact CD2-CG1 4Å; L145-I153 HydrophobicContact CG-CG1 4.47Å; L145-I153 PolarHBondContact N-O 3.15Å; L145-A181 HydrophobicContact CD1-CB 4.45Å; L145-L183 HydrophobicContact CB-CD2 4.19Å; L145-L183 HydrophobicContact CD1-CD2 3.97Å; L145-F199 HydrophobicContact CD1-CE2 4.03Å; L145-F199 HydrophobicContact CD1-CZ 4Å |
| 146 | V | 98.4 | Very high | 92 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 129.5 | -176.7 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | G149 W150 A181 Y182 K184 | V146-G149 VanDerWaalsContact CG1-CA 3.4Å; V146-W150 CarbonylContact C-O 3.58Å; V146-W150 WeakPolarHBondContact CA-O 3.41Å; V146-A181 VanDerWaalsContact O-CA 3.31Å; V146-A181 WeakPolarHBondContact O-CA 3.38Å; V146-Y182 HydrophobicContact CB-CD2 4.25Å; V146-Y182 HydrophobicContact CB-CE1 4.24Å; V146-Y182 HydrophobicContact CB-CE2 3.91Å; V146-Y182 HydrophobicContact CG1-CE1 3.9Å; V146-Y182 HydrophobicContact CG1-CE2 3.98Å; V146-Y182 WeakPolarHBondContact CG1-OH 3.11Å; V146-Y182 HydrophobicContact CG2-CE2 4.36Å; V146-Y182 PolarHBondContact N-O 3.12Å; V146-Y182 PolarHBondContact O-N 2.92Å; V146-Y182 VanDerWaalsContact O-N 3.09Å; V146-K184 HydrophobicContact CG2-CB 3.59Å; V146-K184 HydrophobicContact CG2-CD 4.31Å |
| 147 | L | 98.4 | Very high | 93.1 | Very high | 33 Ų | 33 | 54 Ų | 54 | 17% | 0.173 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.3 | 172.6 | -177.7 | 66.2 | 0 | 0 | 0 | 108.8 | G149 W150 V152 M175 D179 K180 | L147-G149 PolarHBondContact O-N 2.92Å; L147-G149 VanDerWaalsContact O-N 3.09Å; L147-W150 PolarHBondContact N-O 2.93Å; L147-W150 PolarHBondContact O-N 2.84Å; L147-V152 HydrophobicContact CB-CG2 3.59Å; L147-M175 HydrophobicContact CD1-CE 3.48Å; L147-M175 VanDerWaalsContact CD1-CE 3.48Å; L147-M175 HydrophobicContact CD1-CG 4.01Å; L147-M175 HydrophobicContact CD1-SD 4.19Å; L147-D179 HydrophobicContact CD1-CB 4.06Å; L147-K180 WeakPolarHBondContact CA-O 3.18Å |
| 148 | N | 97.3 | Very high | 94 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 40% | 0.401 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 35.9 | 179.6 | -64.5 | -25.9 | 0 | 0 | 0 | 114.2 | D179 K180 | N148-D179 PolarHBondContact ND2-OD1 2.83Å; N148-D179 WeakPolarHBondContact OD1-CA 3.31Å; N148-K180 PolarHBondContact N-O 3.19Å; N148-K180 PolarHBondContact OD1-N 2.86Å |
| 149 | G | 96.1 | Very high | 94.2 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 42% | 0.423 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -8.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | V146 L147 | V146-G149 VanDerWaalsContact CG1-CA 3.4Å; L147-G149 PolarHBondContact O-N 2.92Å; L147-G149 VanDerWaalsContact O-N 3.09Å |
| 150 | W | 97.5 | Very high | 93.7 | Very high | 202 Ų | 202 | 50.1 Ų | 50.1 | 77% | 0.765 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 128.6 | 178.6 | -61.7 | 101.8 | 0 | 0 | 0 | 112.1 | V146 L147 | V146-W150 CarbonylContact C-O 3.58Å; V146-W150 WeakPolarHBondContact CA-O 3.41Å; L147-W150 PolarHBondContact N-O 2.93Å; L147-W150 PolarHBondContact O-N 2.84Å |
| 151 | P | 97.6 | Very high | 92.8 | Very high | 70 Ų | 70 | 54.7 Ų | 54.7 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 132.1 | 176.4 | 28.7 | -33.4 | 0 | 0 | 0 | 110.8 | ||
| 152 | V | 97.3 | Very high | 91.7 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 42% | 0.418 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -52.4 | -177.7 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | L145 L147 V173 | L145-V152 PolarHBondContact O-N 2.9Å; L147-V152 HydrophobicContact CB-CG2 3.59Å; V152-V173 HydrophobicContact CG1-CG1 3.78Å |
| 153 | I | 97.9 | Very high | 90.6 | Very high | 37 Ų | 37 | 60 Ų | 60 | 19% | 0.19 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146.9 | 174.9 | 56.6 | 172.8 | 0 | 0 | 0 | 109.2 | F130 S144 L145 N169 A170 | F130-I153 HydrophobicContact CE1-CD1 4.13Å; F130-I153 HydrophobicContact CE1-CG1 4.25Å; S144-I153 CarbonylContact C-O 3.44Å; S144-I153 VanDerWaalsContact CA-O 3.29Å; S144-I153 WeakPolarHBondContact CA-O 3.32Å; L145-I153 HydrophobicContact CB-CD1 4.37Å; L145-I153 HydrophobicContact CB-CG1 3.67Å; L145-I153 HydrophobicContact CD2-CD1 4.1Å; L145-I153 HydrophobicContact CD2-CG1 4Å; L145-I153 HydrophobicContact CG-CG1 4.47Å; L145-I153 PolarHBondContact N-O 3.15Å; I153-N169 HydrophobicContact CD1-CB 4.13Å; I153-A170 VanDerWaalsContact CD1-C 3.49Å |
| 154 | S | 98.3 | Very high | 89.7 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 27% | 0.273 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 153.1 | -179.1 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | V143 S144 N169 | V143-S154 CarbonylContact O-C 3.59Å; V143-S154 VanDerWaalsContact O-CA 3.25Å; V143-S154 WeakPolarHBondContact O-CA 2.96Å; S144-S154 PolarHBondContact OG-OG 3.11Å; S154-N169 PolarHBondContact O-ND2 3Å |
| 155 | A | 97.5 | Very high | 89.3 | Confident | 8 Ų | 8 | 69.9 Ų | 69.9 | 7% | 0.066 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 157 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F130 Q142 V143 A167 T168 N169 | F130-A155 HydrophobicContact CE2-CB 3.94Å; F130-A155 HydrophobicContact CZ-CB 4.09Å; Q142-A155 WeakPolarHBondContact CA-O 3.22Å; V143-A155 PolarHBondContact N-O 2.97Å; V143-A155 PolarHBondContact O-N 2.66Å; A155-A167 HydrophobicContact CB-CB 3.85Å; A155-T168 WeakPolarHBondContact CB-O 3.38Å; A155-N169 HydrophobicContact CB-CB 4.13Å |
| 156 | F | 94.9 | Very high | 89 | Confident | 120 Ų | 120 | 71.8 Ų | 71.8 | 53% | 0.526 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 150.1 | 179.8 | -60.3 | -92.2 | 0 | 0 | 0 | 109.8 | I141 Q142 | I141-F156 VanDerWaalsContact O-CA 3.3Å; I141-F156 WeakPolarHBondContact O-CA 3.34Å; Q142-F156 HydrophobicContact CB-CD1 3.8Å; Q142-F156 HydrophobicContact CB-CE1 3.64Å; Q142-F156 HydrophobicContact CB-CZ 4.49Å; Q142-F156 VanDerWaalsContact CD-CE1 3.47Å; Q142-F156 HydrophobicContact CG-CD1 3.95Å; Q142-F156 HydrophobicContact CG-CE1 3.43Å; Q142-F156 VanDerWaalsContact CG-CE1 3.43Å; Q142-F156 HydrophobicContact CG-CZ 3.8Å |
| 157 | A | 91.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 123.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | N137 T140 I141 E165 A167 | N137-A157 VanDerWaalsContact ND2-C 3.31Å; N137-A157 PolarHBondContact ND2-O 3.41Å; T140-A157 CarbonylContact C-O 3.58Å; T140-A157 VanDerWaalsContact CA-O 3.31Å; T140-A157 WeakPolarHBondContact CA-O 3.34Å; I141-A157 HydrophobicContact CD1-CB 4.16Å; I141-A157 HydrophobicContact CG1-CB 3.8Å; I141-A157 VanDerWaalsContact CG1-O 3.31Å; I141-A157 WeakPolarHBondContact CG1-O 3.26Å; I141-A157 PolarHBondContact N-O 3.36Å; I141-A157 PolarHBondContact O-N 3.33Å; I141-A157 VanDerWaalsContact O-N 3.11Å; A157-E165 VanDerWaalsContact C-OE2 3.22Å; A157-E165 VanDerWaalsContact CA-CD 3.43Å; A157-E165 WeakPolarHBondContact CA-OE1 3.39Å; A157-E165 HydrophobicContact CB-CB 4.03Å; A157-E165 HydrophobicContact CB-CG 3.67Å; A157-A167 HydrophobicContact CB-CB 4.07Å |
| 158 | G | 83.7 | Confident | 88.8 | Confident | 16 Ų | 16 | 73.3 Ų | 73.3 | 17% | 0.165 | 39% | 0.391 | C | S | . | . | trans | -165 | 21.2 | -178 | 0 | 0 | 0 | 0 | 0 | 117.9 | N137 Q160 E165 | N137-G158 WeakPolarHBondContact ND2-CA 3.48Å; N137-G158 PolarHBondContact ND2-N 2.9Å; G158-Q160 PolarHBondContact O-N 3.33Å; G158-E165 WeakPolarHBondContact CA-OE2 3.29Å; G158-E165 PolarHBondContact N-OE1 3.19Å; G158-E165 PolarHBondContact N-OE2 2.82Å | ||
| 159 | D | 76.1 | Confident | 88.8 | Confident | 74 Ų | 74 | 72.3 Ų | 72.3 | 40% | 0.396 | 39% | 0.386 | S | S | . | . | trans | -70.7 | 121.6 | -179.9 | -163.9 | -20.7 | 0 | 0 | 0 | 110.7 | D161 V162 E165 | D159-D161 VanDerWaalsContact C-N 3.27Å; D159-D161 PolarHBondContact O-N 2.96Å; D159-D161 PolarHBondContact OD1-N 2.98Å; D159-D161 VanDerWaalsContact OD1-N 3.09Å; D159-V162 HydrophobicContact CB-CB 4.24Å; D159-V162 HydrophobicContact CB-CG2 3.83Å; D159-V162 PolarHBondContact O-N 3.29Å; D159-E165 PolarHBondContact N-OE2 2.77Å | ||
| 160 | Q | 69.3 | Low | 88.8 | Confident | 158 Ų | 158 | 72.3 Ų | 72.3 | 74% | 0.738 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -21.7 | -175.1 | -62.4 | -176 | 13.8 | 0 | 0 | 112.4 | G158 V162 | G158-Q160 PolarHBondContact O-N 3.33Å; Q160-V162 VanDerWaalsContact C-N 3.33Å |
| 161 | D | 72 | Confident | 88.7 | Confident | 156 Ų | 156 | 63.6 Ų | 63.6 | 83% | 0.834 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -1.9 | -177.1 | -64.4 | -36 | 0 | 0 | 0 | 112.3 | D159 | D159-D161 VanDerWaalsContact C-N 3.27Å; D159-D161 PolarHBondContact O-N 2.96Å; D159-D161 PolarHBondContact OD1-N 2.98Å; D159-D161 VanDerWaalsContact OD1-N 3.09Å |
| 162 | V | 70.6 | Confident | 88.6 | Confident | 59 Ų | 59 | 65.2 Ų | 65.2 | 36% | 0.358 | 36% | 0.359 | S | S | . | . | trans | -113.4 | 134.6 | -174.9 | -170 | 0 | 0 | 0 | 0 | 111.4 | D159 Q160 R164 | D159-V162 HydrophobicContact CB-CB 4.24Å; D159-V162 HydrophobicContact CB-CG2 3.83Å; D159-V162 PolarHBondContact O-N 3.29Å; Q160-V162 VanDerWaalsContact C-N 3.33Å; V162-R164 WeakPolarHBondContact CG1-O 3.49Å | ||
| 163 | T | 72.1 | Confident | 88.7 | Confident | 101 Ų | 101 | 62.8 Ų | 62.8 | 62% | 0.62 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -79.5 | -20.8 | -178.7 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | Y136 | Y136-T163 PolarHBondContact N-O 2.89Š|
| 164 | R | 79.5 | Confident | 88.7 | Confident | 155 Ų | 155 | 65.5 Ų | 65.5 | 59% | 0.585 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 129.5 | -179.5 | -67.1 | -175.1 | 179.4 | 145.2 | 2.1 | 111.1 | K134 V135 V162 | K134-R164 WeakPolarHBondContact O-CA 3.38Å; V135-R164 HydrophobicContact CB-CG 4.39Å; V135-R164 HydrophobicContact CG1-CG 3.99Å; V135-R164 HydrophobicContact CG2-CG 4.17Å; V162-R164 WeakPolarHBondContact CG1-O 3.49Å |
| 165 | E | 89.6 | Confident | 88.7 | Confident | 51 Ų | 51 | 63.7 Ų | 63.7 | 24% | 0.238 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 154.7 | 179.9 | -160.8 | -176.8 | 172.8 | 0 | 0 | 110.1 | V133 K134 N137 A157 G158 D159 | V133-E165 WeakPolarHBondContact CA-O 3.19Å; K134-E165 PolarHBondContact N-O 3.46Å; K134-E165 PolarHBondContact O-N 3.41Å; N137-E165 PolarHBondContact ND2-OE2 2.9Å; A157-E165 VanDerWaalsContact C-OE2 3.22Å; A157-E165 VanDerWaalsContact CA-CD 3.43Å; A157-E165 WeakPolarHBondContact CA-OE1 3.39Å; A157-E165 HydrophobicContact CB-CB 4.03Å; A157-E165 HydrophobicContact CB-CG 3.67Å; G158-E165 WeakPolarHBondContact CA-OE2 3.29Å; G158-E165 PolarHBondContact N-OE1 3.19Å; G158-E165 PolarHBondContact N-OE2 2.82Å; D159-E165 PolarHBondContact N-OE2 2.77Å |
| 166 | A | 92.6 | Very high | 88.7 | Confident | 42 Ų | 42 | 67.2 Ų | 67.2 | 35% | 0.347 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 118.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V132 V133 T168 | V132-A166 CarbonylContact O-C 3.56Å; V132-A166 VanDerWaalsContact O-CA 3.29Å; V132-A166 WeakPolarHBondContact O-CA 3.3Å; V133-A166 HydrophobicContact CG2-CB 4.17Å; A166-T168 PolarHBondContact O-N 2.79Å |
| 167 | A | 96.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 104.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108 | V132 I141 V143 A155 A157 | V132-A167 HydrophobicContact CB-CB 4.49Å; V132-A167 PolarHBondContact N-O 2.85Å; V132-A167 PolarHBondContact O-N 2.83Å; I141-A167 HydrophobicContact CD1-CB 4.28Å; V143-A167 HydrophobicContact CB-CB 4.17Å; V143-A167 HydrophobicContact CG2-CB 3.95Å; A155-A167 HydrophobicContact CB-CB 3.85Å; A157-A167 HydrophobicContact CB-CB 4.07Å |
| 168 | T | 97.1 | Very high | 89.2 | Confident | 67 Ų | 67 | 73.1 Ų | 73.1 | 41% | 0.411 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 129.2 | -173.8 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | F130 H131 A155 A166 | F130-T168 WeakPolarHBondContact O-CA 3.36Å; H131-T168 WeakPolarHBondContact CE1-CG2 3.09Å; H131-T168 WeakPolarHBondContact ND1-CG2 3.38Å; H131-T168 PolarHBondContact ND1-OG1 3.09Å; A155-T168 WeakPolarHBondContact CB-O 3.38Å; A166-T168 PolarHBondContact O-N 2.79Å |
| 169 | N | 98 | Very high | 89.9 | Confident | 54 Ų | 54 | 73.8 Ų | 73.8 | 29% | 0.289 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 164.1 | 166.2 | -147.8 | -23.9 | 0 | 0 | 0 | 111.2 | F130 I153 S154 A155 | F130-N169 WeakPolarHBondContact CD1-O 3.37Å; F130-N169 HydrophobicContact CE1-CB 3.7Å; F130-N169 HydrophobicContact CE2-CB 4.3Å; F130-N169 HydrophobicContact CZ-CB 3.54Å; F130-N169 PolarHBondContact N-O 2.92Å; F130-N169 PolarHBondContact O-N 2.91Å; I153-N169 HydrophobicContact CD1-CB 4.13Å; S154-N169 PolarHBondContact O-ND2 3Å; A155-N169 HydrophobicContact CB-CB 4.13Å |
| 170 | A | 96.5 | Very high | 90.9 | Very high | 40 Ų | 40 | 75.3 Ų | 75.3 | 33% | 0.331 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 150 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | F128 I153 | F128-A170 CarbonylContact O-C 3.58Å; F128-A170 WeakPolarHBondContact O-CA 3.34Å; F128-A170 WeakPolarHBondContact O-CB 3.34Å; I153-A170 VanDerWaalsContact CD1-C 3.49Å |
| 171 | G | 94.2 | Very high | 92.3 | Very high | 20 Ų | 20 | 67.9 Ų | 67.9 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 162.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F128 | F128-G171 PolarHBondContact N-O 2.92Å; F128-G171 PolarHBondContact O-N 2.96Å |
| 172 | L | 96.6 | Very high | 93.6 | Very high | 104 Ų | 104 | 62.4 Ų | 62.4 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 135.9 | 171.5 | -62.8 | 176.7 | 0 | 0 | 0 | 109.1 | V125 Y126 V204 | V125-L172 HydrophobicContact CG1-CB 4.23Å; V125-L172 HydrophobicContact CG1-CD2 4.47Å; Y126-L172 CarbonylContact O-C 3.54Å; Y126-L172 VanDerWaalsContact O-CA 3.3Å; Y126-L172 WeakPolarHBondContact O-CA 3.45Å; L172-V204 HydrophobicContact CD2-CG2 3.95Å |
| 173 | V | 97.5 | Very high | 94.9 | Very high | 18 Ų | 18 | 59.6 Ų | 59.6 | 11% | 0.109 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 144.1 | 177.9 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | V125 Y126 F128 V152 M175 | V125-V173 WeakPolarHBondContact CA-O 3.5Å; Y126-V173 PolarHBondContact N-O 3Å; Y126-V173 PolarHBondContact O-N 3.19Å; F128-V173 HydrophobicContact CD2-CG2 3.69Å; F128-V173 HydrophobicContact CE2-CG2 3.48Å; F128-V173 VanDerWaalsContact CE2-CG2 3.48Å; V152-V173 HydrophobicContact CG1-CG1 3.78Å; V173-M175 HydrophobicContact CG2-CG 3.85Å; V173-M175 HydrophobicContact CG2-SD 4.08Å |
| 174 | L | 98.1 | Very high | 96.2 | Very high | 94 Ų | 94 | 57.4 Ų | 57.4 | 49% | 0.492 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 128.1 | 167.2 | 179.3 | 65.6 | 0 | 0 | 0 | 108.2 | L207 | L174-L207 HydrophobicContact CD1-CD1 3.36Å |
| 175 | M | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.4 | 175.5 | -57.3 | -178.4 | 68.4 | 0 | 0 | 110.2 | F118 A120 K123 G124 Y126 F128 L147 V173 D179 A181 | F118-M175 HydrophobicContact CD1-CE 4.24Å; F118-M175 HydrophobicContact CD1-SD 4.43Å; F118-M175 HydrophobicContact CE1-CE 4.39Å; F118-M175 HydrophobicContact CE1-SD 4.25Å; A120-M175 HydrophobicContact CB-CB 3.81Å; A120-M175 HydrophobicContact CB-CE 3.79Å; A120-M175 HydrophobicContact CB-SD 4.25Å; K123-M175 VanDerWaalsContact CA-O 3.26Å; K123-M175 WeakPolarHBondContact CA-O 3.34Å; G124-M175 PolarHBondContact N-O 2.99Å; G124-M175 PolarHBondContact O-N 2.95Å; Y126-M175 HydrophobicContact CD2-CB 3.67Å; Y126-M175 HydrophobicContact CD2-CG 3.8Å; Y126-M175 HydrophobicContact CD2-SD 3.87Å; Y126-M175 HydrophobicContact CE2-CB 3.78Å; Y126-M175 HydrophobicContact CE2-CG 4.38Å; Y126-M175 HydrophobicContact CE2-SD 4.49Å; Y126-M175 HydrophobicContact CG-CG 4.41Å; Y126-M175 HydrophobicContact CG-SD 3.95Å; F128-M175 HydrophobicContact CE2-SD 3.58Å; F128-M175 VanDerWaalsContact CE2-SD 3.58Å; F128-M175 HydrophobicContact CZ-SD 3.62Å; L147-M175 HydrophobicContact CD1-CE 3.48Å; L147-M175 VanDerWaalsContact CD1-CE 3.48Å; L147-M175 HydrophobicContact CD1-CG 4.01Å; L147-M175 HydrophobicContact CD1-SD 4.19Å; V173-M175 HydrophobicContact CG2-CG 3.85Å; V173-M175 HydrophobicContact CG2-SD 4.08Å; M175-D179 WeakPolarHBondContact CA-OD2 3.22Å; M175-D179 HydrophobicContact CB-CB 4.13Å; M175-D179 HydrophobicContact CE-CB 3.64Å; M175-D179 WeakPolarHBondContact CE-O 3.44Å; M175-A181 HydrophobicContact CE-CB 3.91Å; M175-A181 HydrophobicContact SD-CB 4.4Å |
| 176 | E | 98.4 | Very high | 97.3 | Very high | 82 Ų | 82 | 51.6 Ų | 51.6 | 38% | 0.383 | 27% | 0.273 | S | S | . | . | trans | -91.8 | 164.8 | 168.8 | -66.6 | -65.7 | 167 | 0 | 0 | 111.1 | A120 K123 G178 D179 | A120-E176 VanDerWaalsContact CB-O 3.28Å; A120-E176 WeakPolarHBondContact CB-O 3.39Å; K123-E176 WeakPolarHBondContact CD-OE1 3.18Å; K123-E176 WeakPolarHBondContact CD-OE2 3.45Å; K123-E176 VanDerWaalsContact CE-OE1 3.22Å; K123-E176 WeakPolarHBondContact CE-OE1 3.16Å; K123-E176 VanDerWaalsContact CG-OE2 3.32Å; K123-E176 WeakPolarHBondContact CG-OE2 3.28Å; K123-E176 IonicContact NZ-OE1 3.53Å; K123-E176 PolarHBondContact NZ-OE1 2.76Å; K123-E176 IonicContact NZ-OE2 2.82Å; E176-G178 PolarHBondContact O-N 2.88Å; E176-D179 PolarHBondContact N-OD2 3.37Å; E176-D179 WeakPolarHBondContact O-CB 3.38Å; E176-D179 PolarHBondContact O-N 3.11Å; E176-D179 VanDerWaalsContact O-N 3.15Å | ||
| 177 | R | 97.8 | Very high | 97.3 | Very high | 205 Ų | 205 | 57.2 Ų | 57.2 | 77% | 0.774 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 124.8 | 175 | 178.6 | 173 | 178.3 | -169 | 0.1 | 110.3 | A120 P121 | A120-R177 WeakPolarHBondContact O-CA 3.33Å; P121-R177 WeakPolarHBondContact O-CD 3.34Å; P121-R177 WeakPolarHBondContact O-CG 3.38Å |
| 178 | G | 98.2 | Very high | 97.1 | Very high | 39 Ų | 39 | 58.7 Ų | 58.7 | 40% | 0.402 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -7.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A120 E176 | A120-G178 PolarHBondContact O-N 3.25Å; E176-G178 PolarHBondContact O-N 2.88Å |
| 179 | D | 98.7 | Very high | 96.8 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 16% | 0.16 | 29% | 0.293 | C | S | . | . | trans | -62.4 | 143.2 | 174 | -76 | -11.8 | 0 | 0 | 0 | 111.2 | V119 A120 L147 N148 M175 E176 | V119-D179 CarbonylContact C-O 3.51Å; V119-D179 WeakPolarHBondContact CA-O 3.34Å; A120-D179 HydrophobicContact CB-CB 4.45Å; A120-D179 PolarHBondContact N-O 2.82Å; L147-D179 HydrophobicContact CD1-CB 4.06Å; N148-D179 PolarHBondContact ND2-OD1 2.83Å; N148-D179 WeakPolarHBondContact OD1-CA 3.31Å; M175-D179 WeakPolarHBondContact CA-OD2 3.22Å; M175-D179 HydrophobicContact CB-CB 4.13Å; M175-D179 HydrophobicContact CE-CB 3.64Å; M175-D179 WeakPolarHBondContact CE-O 3.44Å; E176-D179 PolarHBondContact N-OD2 3.37Å; E176-D179 WeakPolarHBondContact O-CB 3.38Å; E176-D179 PolarHBondContact O-N 3.11Å; E176-D179 VanDerWaalsContact O-N 3.15Å | ||
| 180 | K | 98.6 | Very high | 96.4 | Very high | 107 Ų | 107 | 55.5 Ų | 55.5 | 47% | 0.465 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.7 | -174.8 | -62.3 | -176.7 | -178.4 | 179.1 | 0 | 110.8 | I117 F118 V119 L147 N148 | I117-K180 HydrophobicContact CG2-CB 3.84Å; I117-K180 HydrophobicContact CG2-CD 4.34Å; I117-K180 HydrophobicContact CG2-CG 4.15Å; F118-K180 CarbonylContact O-C 3.58Å; F118-K180 WeakPolarHBondContact O-CA 3.33Å; V119-K180 HydrophobicContact CG2-CG 4.33Å; L147-K180 WeakPolarHBondContact CA-O 3.18Å; N148-K180 PolarHBondContact N-O 3.19Å; N148-K180 PolarHBondContact OD1-N 2.86Å |
| 181 | A | 98.7 | Very high | 96 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F118 F128 L145 V146 M175 | F118-A181 HydrophobicContact CB-CB 4.41Å; F118-A181 HydrophobicContact CD1-CB 4.36Å; F118-A181 PolarHBondContact N-O 3.07Å; F118-A181 PolarHBondContact O-N 2.91Å; F128-A181 HydrophobicContact CE1-CB 3.8Å; F128-A181 HydrophobicContact CE2-CB 4.14Å; F128-A181 HydrophobicContact CZ-CB 3.54Å; L145-A181 HydrophobicContact CD1-CB 4.45Å; V146-A181 VanDerWaalsContact O-CA 3.31Å; V146-A181 WeakPolarHBondContact O-CA 3.38Å; M175-A181 HydrophobicContact CE-CB 3.91Å; M175-A181 HydrophobicContact SD-CB 4.4Å |
| 182 | Y | 98.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 58.9 Ų | 58.9 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 167.2 | 177.7 | 58.1 | -83.9 | 0 | 0 | 0 | 111 | T97 I117 V146 K184 | T97-Y182 HydrophobicContact CG2-CD2 4.17Å; I117-Y182 HydrophobicContact CG1-CD1 4.27Å; I117-Y182 HydrophobicContact CG1-CG 4.24Å; I117-Y182 HydrophobicContact CG2-CD1 4.48Å; V146-Y182 HydrophobicContact CB-CD2 4.25Å; V146-Y182 HydrophobicContact CB-CE1 4.24Å; V146-Y182 HydrophobicContact CB-CE2 3.91Å; V146-Y182 HydrophobicContact CG1-CE1 3.9Å; V146-Y182 HydrophobicContact CG1-CE2 3.98Å; V146-Y182 WeakPolarHBondContact CG1-OH 3.11Å; V146-Y182 HydrophobicContact CG2-CE2 4.36Å; V146-Y182 PolarHBondContact N-O 3.12Å; V146-Y182 PolarHBondContact O-N 2.92Å; V146-Y182 VanDerWaalsContact O-N 3.09Å; Y182-K184 HydrophobicContact CD2-CB 4.49Å; Y182-K184 HydrophobicContact CE2-CB 4.24Å |
| 183 | L | 98.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 134.6 | 174.5 | -58.2 | -175.8 | 0 | 0 | 0 | 110.5 | I98 F100 F130 V132 V143 S144 L145 F199 | I98-L183 HydrophobicContact CB-CB 4.14Å; I98-L183 HydrophobicContact CD1-CB 4.21Å; I98-L183 HydrophobicContact CG1-CB 4.36Å; I98-L183 PolarHBondContact N-O 3.44Å; F100-L183 HydrophobicContact CE2-CD1 4.01Å; F100-L183 HydrophobicContact CZ-CD1 3.82Å; F130-L183 HydrophobicContact CB-CD1 3.49Å; F130-L183 VanDerWaalsContact CB-CD1 3.49Å; F130-L183 HydrophobicContact CB-CD2 4.02Å; F130-L183 HydrophobicContact CB-CG 4.38Å; F130-L183 HydrophobicContact CD1-CD2 3.68Å; F130-L183 HydrophobicContact CD2-CD1 4.23Å; F130-L183 HydrophobicContact CD2-CD2 4.42Å; F130-L183 HydrophobicContact CE1-CD2 4.21Å; F130-L183 HydrophobicContact CG-CD1 3.9Å; F130-L183 HydrophobicContact CG-CD2 3.79Å; V132-L183 HydrophobicContact CG2-CD1 4.14Å; V143-L183 HydrophobicContact CG1-CB 4.38Å; S144-L183 WeakPolarHBondContact O-CA 3.35Å; L145-L183 HydrophobicContact CB-CD2 4.19Å; L145-L183 HydrophobicContact CD1-CD2 3.97Å; L183-F199 HydrophobicContact CD1-CB 3.97Å; L183-F199 HydrophobicContact CD1-CD1 4.34Å; L183-F199 HydrophobicContact CD1-CD2 3.98Å; L183-F199 HydrophobicContact CD1-CG 3.86Å; L183-F199 HydrophobicContact CD2-CD2 4.15Å; L183-F199 HydrophobicContact CD2-CE2 3.96Å; L183-F199 HydrophobicContact CD2-CZ 4.28Å; L183-F199 HydrophobicContact CG-CD1 4.12Å; L183-F199 HydrophobicContact CG-CD2 4.01Å; L183-F199 HydrophobicContact CG-CE1 4.24Å; L183-F199 HydrophobicContact CG-CE2 4.13Å; L183-F199 HydrophobicContact CG-CG 4.02Å; L183-F199 HydrophobicContact CG-CZ 4.24Å |
| 184 | K | 97.9 | Very high | 95.1 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 24% | 0.239 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 138.3 | 176.7 | -171.4 | 174.8 | 162.3 | -129.3 | 0 | 110.4 | M96 V143 S144 V146 Y182 E186 | M96-K184 HydrophobicContact CB-CG 4.11Å; M96-K184 CarbonylContact O-C 3.58Å; M96-K184 WeakPolarHBondContact O-CA 3.44Å; V143-K184 WeakPolarHBondContact CA-O 3.29Å; S144-K184 PolarHBondContact N-O 2.93Å; S144-K184 PolarHBondContact O-N 2.68Å; V146-K184 HydrophobicContact CG2-CB 3.59Å; V146-K184 HydrophobicContact CG2-CD 4.31Å; Y182-K184 HydrophobicContact CD2-CB 4.49Å; Y182-K184 HydrophobicContact CE2-CB 4.24Å; K184-E186 WeakPolarHBondContact CD-OE1 3.42Å; K184-E186 IonicContact NZ-OE1 2.69Å; K184-E186 PolarHBondContact NZ-OE1 2.98Å; K184-E186 IonicContact NZ-OE2 2.71Å; K184-E186 PolarHBondContact NZ-OE2 3.19Å; K184-E186 PolarHBondContact O-N 2.67Å |
| 185 | L | 96.9 | Very high | 95 | Very high | 11 Ų | 11 | 51 Ų | 51 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 99.9 | 170.2 | -172.5 | 71.2 | 0 | 0 | 0 | 108.6 | M96 I98 I141 Q142 V143 R187 L190 | M96-L185 HydrophobicContact CB-CB 4.39Å; M96-L185 WeakPolarHBondContact CB-O 3.26Å; M96-L185 PolarHBondContact O-N 3.02Å; I98-L185 HydrophobicContact CD1-CB 4.46Å; I98-L185 HydrophobicContact CG1-CB 4.36Å; I141-L185 HydrophobicContact CB-CD1 3.94Å; I141-L185 HydrophobicContact CG2-CD1 4.18Å; Q142-L185 CarbonylContact O-C 3.54Å; V143-L185 HydrophobicContact CG2-CD1 4.15Å; L185-R187 WeakPolarHBondContact CD1-O 3.37Å; L185-L190 HydrophobicContact CD1-CD2 4.42Å; L185-L190 HydrophobicContact CD1-CG 4.42Å; L185-L190 HydrophobicContact CD2-CD1 4.46Å; L185-L190 HydrophobicContact CD2-CG 3.96Å |
| 186 | E | 95.9 | Very high | 94.8 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 34% | 0.336 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -28.8 | -179.5 | -68.9 | -63.3 | 164.3 | 0 | 0 | 112.2 | Q142 S144 K184 | Q142-E186 HydrophobicContact CB-CB 4.36Å; Q142-E186 HydrophobicContact CG-CB 4.12Å; Q142-E186 PolarHBondContact O-N 3.43Å; S144-E186 WeakPolarHBondContact OG-CG 3.37Å; K184-E186 WeakPolarHBondContact CD-OE1 3.42Å; K184-E186 IonicContact NZ-OE1 2.69Å; K184-E186 PolarHBondContact NZ-OE1 2.98Å; K184-E186 IonicContact NZ-OE2 2.71Å; K184-E186 PolarHBondContact NZ-OE2 3.19Å; K184-E186 PolarHBondContact O-N 2.67Å |
| 187 | R | 93.3 | Very high | 94.8 | Very high | 161 Ų | 161 | 53.9 Ų | 53.9 | 61% | 0.608 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 145.8 | 178.9 | -166.6 | 176.8 | 178.4 | -175.9 | -1.8 | 111.1 | I141 Q142 L185 | I141-R187 VanDerWaalsContact CA-O 3.28Å; I141-R187 WeakPolarHBondContact CA-O 3.44Å; Q142-R187 HydrophobicContact CB-CB 3.71Å; Q142-R187 PolarHBondContact N-O 3.06Å; Q142-R187 PolarHBondContact O-N 2.95Å; L185-R187 WeakPolarHBondContact CD1-O 3.37Å |
| 188 | G | 91.4 | Very high | 94.8 | Very high | 31 Ų | 31 | 46.2 Ų | 46.2 | 32% | 0.32 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 89 | -159.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 189 | N | 89.8 | Confident | 94.8 | Very high | 48 Ų | 48 | 44.3 Ų | 44.3 | 26% | 0.257 | 22% | 0.215 | S | C | . | . | trans | -142.5 | 163.8 | 174.5 | 60.3 | 66.8 | 0 | 0 | 0 | 110 | K134 Q139 I141 M191 | K134-N189 VanDerWaalsContact CE-O 3.29Å; K134-N189 WeakPolarHBondContact CE-O 3.38Å; K134-N189 PolarHBondContact NZ-O 3.2Å; Q139-N189 PolarHBondContact OE1-ND2 2.79Å; I141-N189 WeakPolarHBondContact CG2-O 3.4Å; N189-M191 HydrophobicContact CB-CG 4.08Å; N189-M191 VanDerWaalsContact OD1-CB 3.31Å; N189-M191 WeakPolarHBondContact OD1-CB 3.17Å; N189-M191 VanDerWaalsContact OD1-CG 3.32Å; N189-M191 WeakPolarHBondContact OD1-CG 3.28Å; N189-M191 PolarHBondContact OD1-N 3.39Å; N189-M191 VanDerWaalsContact OD1-N 3.15Å | ||
| 190 | L | 90.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | trans | -107.4 | 34.4 | 173.8 | -61.4 | 171.3 | 0 | 0 | 0 | 111.2 | P88 I98 V132 K134 I141 L185 G193 W194 | P88-L190 HydrophobicContact CG-CB 4.18Å; I98-L190 HydrophobicContact CD1-CD1 4.27Å; I98-L190 HydrophobicContact CG1-CD1 4.04Å; I98-L190 HydrophobicContact CG2-CD1 4.16Å; V132-L190 HydrophobicContact CG1-CD2 4.08Å; K134-L190 HydrophobicContact CD-CD2 4.47Å; I141-L190 HydrophobicContact CD1-CD2 4.28Å; L185-L190 HydrophobicContact CD1-CD2 4.42Å; L185-L190 HydrophobicContact CD1-CG 4.42Å; L185-L190 HydrophobicContact CD2-CD1 4.46Å; L185-L190 HydrophobicContact CD2-CG 3.96Å; L190-G193 PolarHBondContact O-N 3.5Å; L190-G193 VanDerWaalsContact O-N 3.11Å; L190-W194 HydrophobicContact CB-CD2 4.23Å; L190-W194 HydrophobicContact CB-CE3 3.55Å; L190-W194 HydrophobicContact CB-CZ3 4.08Å; L190-W194 HydrophobicContact CD1-CB 4.49Å; L190-W194 HydrophobicContact CD1-CD2 3.86Å; L190-W194 HydrophobicContact CD1-CE3 3.96Å; L190-W194 HydrophobicContact CD1-CG 4.12Å; L190-W194 HydrophobicContact CD2-CB 4.23Å; L190-W194 HydrophobicContact CG-CE3 4.34Å | ||
| 191 | M | 88 | Confident | 94.8 | Very high | 99 Ų | 99 | 39.7 Ų | 39.7 | 49% | 0.488 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 140.8 | 174.2 | -64.9 | -62.6 | -58.4 | 0 | 0 | 110 | E87 N189 G193 | E87-M191 HydrophobicContact CG-CE 4.47Å; E87-M191 WeakPolarHBondContact OE2-CA 3.45Å; E87-M191 WeakPolarHBondContact OE2-CE 3.41Å; N189-M191 HydrophobicContact CB-CG 4.08Å; N189-M191 VanDerWaalsContact OD1-CB 3.31Å; N189-M191 WeakPolarHBondContact OD1-CB 3.17Å; N189-M191 VanDerWaalsContact OD1-CG 3.32Å; N189-M191 WeakPolarHBondContact OD1-CG 3.28Å; N189-M191 PolarHBondContact OD1-N 3.39Å; N189-M191 VanDerWaalsContact OD1-N 3.15Å; M191-G193 VanDerWaalsContact C-N 3.29Å |
| 192 | G | 86.6 | Confident | 94.7 | Very high | 32 Ų | 32 | 43 Ų | 43 | 33% | 0.33 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 0.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E87 | E87-G192 VanDerWaalsContact CD-N 3.32Å; E87-G192 WeakPolarHBondContact OE1-CA 3.31Å; E87-G192 PolarHBondContact OE1-N 3.45Å; E87-G192 PolarHBondContact OE2-N 2.91Å; E87-G192 VanDerWaalsContact OE2-N 3.07Å |
| 193 | G | 89.9 | Confident | 94.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | 82 | 167.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | L190 M191 | L190-G193 PolarHBondContact O-N 3.5Å; L190-G193 VanDerWaalsContact O-N 3.11Å; M191-G193 VanDerWaalsContact C-N 3.29Å | ||
| 194 | W | 93.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | trans | -131.9 | 38.7 | -176.9 | 61.5 | 101.2 | 0 | 0 | 0 | 112 | R82 H86 P88 Y99 V133 L190 S197 | R82-W194 WeakPolarHBondContact CB-O 3.29Å; R82-W194 VanDerWaalsContact CD-NE1 3.3Å; R82-W194 HydrophobicContact CG-CD2 4.3Å; R82-W194 HydrophobicContact CG-CG 4.01Å; R82-W194 WeakPolarHBondContact CG-O 3.49Å; H86-W194 WeakPolarHBondContact O-CZ3 3.35Å; P88-W194 HydrophobicContact CB-CH2 4.3Å; P88-W194 HydrophobicContact CB-CZ3 4.19Å; P88-W194 HydrophobicContact CG-CH2 4.3Å; P88-W194 HydrophobicContact CG-CZ3 3.7Å; Y99-W194 PolarHBondContact O-NE1 3.27Å; V133-W194 CarbonylContact O-C 3.52Å; V133-W194 WeakPolarHBondContact O-CA 3.3Å; V133-W194 WeakPolarHBondContact O-CB 3.25Å; L190-W194 HydrophobicContact CB-CD2 4.23Å; L190-W194 HydrophobicContact CB-CE3 3.55Å; L190-W194 HydrophobicContact CB-CZ3 4.08Å; L190-W194 HydrophobicContact CD1-CB 4.49Å; L190-W194 HydrophobicContact CD1-CD2 3.86Å; L190-W194 HydrophobicContact CD1-CE3 3.96Å; L190-W194 HydrophobicContact CD1-CG 4.12Å; L190-W194 HydrophobicContact CD2-CB 4.23Å; L190-W194 HydrophobicContact CG-CE3 4.34Å; W194-S197 WeakPolarHBondContact O-CB 2.98Å; W194-S197 PolarHBondContact O-N 2.99Å; W194-S197 PolarHBondContact O-OG 2.87Å | ||
| 195 | K | 94.6 | Very high | 93.9 | Very high | 48 Ų | 48 | 45.4 Ų | 45.4 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 148.6 | 177.1 | -173.2 | 172.1 | 179.6 | 167 | 0 | 110.7 | N83 T84 N85 S197 | N83-K195 WeakPolarHBondContact O-CD 3.35Å; N83-K195 WeakPolarHBondContact O-CE 3.42Å; N83-K195 PolarHBondContact O-NZ 3.1Å; T84-K195 WeakPolarHBondContact O-CB 3.4Å; N85-K195 WeakPolarHBondContact OD1-CB 3.33Å; K195-S197 PolarHBondContact O-N 3.09Å |
| 196 | Y | 95.3 | Very high | 93.7 | Very high | 144 Ų | 144 | 47.7 Ų | 47.7 | 57% | 0.565 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75 | -3.1 | -174.8 | -45.2 | -68.9 | 0 | 0 | 0 | 115 | R82 | R82-Y196 PolarHBondContact O-N 3.15Š|
| 197 | S | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -63.2 | 144.5 | 171.7 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | I81 R82 H131 V132 V133 W194 K195 | I81-S197 CarbonylContact C-O 3.47Å; I81-S197 VanDerWaalsContact CA-O 3.28Å; I81-S197 WeakPolarHBondContact CA-O 3.29Å; R82-S197 PolarHBondContact N-O 2.92Å; H131-S197 CarbonylContact O-C 3.48Å; H131-S197 WeakPolarHBondContact O-CA 3.46Å; H131-S197 WeakPolarHBondContact O-CB 3.47Å; V132-S197 WeakPolarHBondContact CA-OG 3.22Å; V133-S197 PolarHBondContact N-OG 2.89Å; V133-S197 PolarHBondContact O-OG 3.05Å; W194-S197 WeakPolarHBondContact O-CB 2.98Å; W194-S197 PolarHBondContact O-N 2.99Å; W194-S197 PolarHBondContact O-OG 2.87Å; K195-S197 PolarHBondContact O-N 3.09Å | ||
| 198 | T | 98.5 | Very high | 93.4 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 26% | 0.264 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 145.4 | -180 | 67 | 0 | 0 | 0 | 0 | 111 | A80 I81 F130 H131 | A80-T198 WeakPolarHBondContact O-CA 3.38Å; I81-T198 HydrophobicContact CG2-CG2 3.92Å; F130-T198 WeakPolarHBondContact CA-O 3.16Å; H131-T198 PolarHBondContact CD2-OG1 2.77Å; H131-T198 PolarHBondContact N-O 2.89Å; H131-T198 PolarHBondContact O-N 3.09Å |
| 199 | F | 98.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 123.7 | 169 | -180 | -145.9 | 0 | 0 | 0 | 109.1 | F78 A80 F100 F111 F128 F130 L145 L183 | F78-F199 AromaticContact CE2-CD1 3.72Å; F78-F199 HydrophobicContact CE2-CD1 3.72Å; F78-F199 HydrophobicContact CE2-CD2 4.3Å; F78-F199 AromaticContact CE2-CE1 3.81Å; F78-F199 HydrophobicContact CE2-CE1 3.81Å; F78-F199 HydrophobicContact CE2-CE2 4.38Å; F78-F199 AromaticContact CE2-CG 3.98Å; F78-F199 HydrophobicContact CE2-CG 3.98Å; F78-F199 HydrophobicContact CE2-CZ 4.15Å; F78-F199 HydrophobicContact CZ-CD1 4.14Å; F78-F199 HydrophobicContact CZ-CD2 4.28Å; F78-F199 AromaticContact CZ-CE1 3.79Å; F78-F199 HydrophobicContact CZ-CE1 3.79Å; F78-F199 AromaticContact CZ-CE2 3.95Å; F78-F199 HydrophobicContact CZ-CE2 3.95Å; F78-F199 HydrophobicContact CZ-CG 4.37Å; F78-F199 AromaticContact CZ-CZ 3.7Å; F78-F199 HydrophobicContact CZ-CZ 3.7Å; A80-F199 PolarHBondContact N-O 2.86Å; A80-F199 PolarHBondContact O-N 2.88Å; F100-F199 HydrophobicContact CD1-CB 4.43Å; F100-F199 HydrophobicContact CD2-CB 4.12Å; F100-F199 HydrophobicContact CD2-CD1 4.44Å; F100-F199 HydrophobicContact CE1-CB 3.9Å; F100-F199 HydrophobicContact CE2-CB 3.56Å; F100-F199 HydrophobicContact CE2-CD1 4.09Å; F100-F199 HydrophobicContact CE2-CG 4.21Å; F100-F199 HydrophobicContact CZ-CB 3.45Å; F100-F199 VanDerWaalsContact CZ-CB 3.45Å; F100-F199 HydrophobicContact CZ-CG 4.45Å; F111-F199 AromaticContact CE2-CD1 3.86Å; F111-F199 HydrophobicContact CE2-CD1 3.86Å; F111-F199 AromaticContact CE2-CE1 3.92Å; F111-F199 HydrophobicContact CE2-CE1 3.92Å; F111-F199 HydrophobicContact CZ-CD1 4.38Å; F128-F199 HydrophobicContact CB-CE2 4.39Å; F128-F199 AromaticContact CD1-CE2 3.78Å; F128-F199 HydrophobicContact CD1-CE2 3.78Å; F128-F199 AromaticContact CD1-CZ 3.91Å; F128-F199 HydrophobicContact CD1-CZ 3.91Å; F128-F199 HydrophobicContact CE1-CZ 4.32Å; F128-F199 HydrophobicContact CG-CE2 4.49Å; F130-F199 HydrophobicContact CB-CD2 4.05Å; L145-F199 HydrophobicContact CD1-CE2 4.03Å; L145-F199 HydrophobicContact CD1-CZ 4Å; L183-F199 HydrophobicContact CD1-CB 3.97Å; L183-F199 HydrophobicContact CD1-CD1 4.34Å; L183-F199 HydrophobicContact CD1-CD2 3.98Å; L183-F199 HydrophobicContact CD1-CG 3.86Å; L183-F199 HydrophobicContact CD2-CD2 4.15Å; L183-F199 HydrophobicContact CD2-CE2 3.96Å; L183-F199 HydrophobicContact CD2-CZ 4.28Å; L183-F199 HydrophobicContact CG-CD1 4.12Å; L183-F199 HydrophobicContact CG-CD2 4.01Å; L183-F199 HydrophobicContact CG-CE1 4.24Å; L183-F199 HydrophobicContact CG-CE2 4.13Å; L183-F199 HydrophobicContact CG-CG 4.02Å; L183-F199 HydrophobicContact CG-CZ 4.24Å |
| 200 | S | 98.6 | Very high | 93.7 | Very high | 37 Ų | 37 | 45.7 Ų | 45.7 | 26% | 0.259 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 157.1 | -178 | 60.8 | 0 | 0 | 0 | 0 | 111.3 | F78 F128 S129 | F78-S200 WeakPolarHBondContact O-CA 3.47Å; F78-S200 WeakPolarHBondContact O-CB 3.48Å; F128-S200 WeakPolarHBondContact CA-O 3.35Å; S129-S200 PolarHBondContact N-O 2.85Å; S129-S200 PolarHBondContact O-N 2.68Å |
| 201 | G | 97.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172 | 162.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A77 F78 S127 | A77-G201 CarbonylContact C-O 3.58Å; A77-G201 WeakPolarHBondContact CA-O 3.39Å; F78-G201 WeakPolarHBondContact CD1-O 3.4Å; F78-G201 VanDerWaalsContact CE1-CA 3.49Å; F78-G201 PolarHBondContact N-O 2.99Å; F78-G201 PolarHBondContact O-N 3.17Å; S127-G201 CarbonylContact O-C 3.58Å; S127-G201 WeakPolarHBondContact O-CA 3.32Å |
| 202 | F | 97.1 | Very high | 94.3 | Very high | 70 Ų | 70 | 44.9 Ų | 44.9 | 31% | 0.307 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 157.9 | -177 | 60.3 | -86.4 | 0 | 0 | 0 | 111.8 | L49 V51 V76 A77 Y126 S127 V204 | L49-F202 HydrophobicContact CD2-CE2 3.31Å; L49-F202 HydrophobicContact CD2-CZ 3.38Å; V51-F202 HydrophobicContact CG2-CE2 4.45Å; V76-F202 CarbonylContact O-C 3.56Å; V76-F202 VanDerWaalsContact O-CA 3.22Å; V76-F202 WeakPolarHBondContact O-CA 3.31Å; V76-F202 VanDerWaalsContact O-CB 3.26Å; V76-F202 WeakPolarHBondContact O-CB 3.21Å; A77-F202 HydrophobicContact CB-CB 3.8Å; Y126-F202 WeakPolarHBondContact CA-O 3.46Å; S127-F202 PolarHBondContact N-O 2.77Å; S127-F202 PolarHBondContact O-N 2.96Å; F202-V204 HydrophobicContact CD2-CG2 4.49Å; F202-V204 HydrophobicContact CE2-CG2 4.09Å |
| 203 | L | 95.7 | Very high | 94.8 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 121.8 | 171.8 | 176.1 | 64.8 | 0 | 0 | 0 | 109.2 | V76 R122 Y126 F205 P206 | V76-L203 HydrophobicContact CB-CB 3.78Å; V76-L203 HydrophobicContact CG2-CB 4.29Å; V76-L203 HydrophobicContact CG2-CD2 4.22Å; V76-L203 PolarHBondContact O-N 2.88Å; R122-L203 HydrophobicContact CG-CD2 4.42Å; Y126-L203 HydrophobicContact CD1-CB 4.07Å; Y126-L203 HydrophobicContact CD1-CD1 4.28Å; Y126-L203 HydrophobicContact CD2-CD1 4.29Å; Y126-L203 HydrophobicContact CE1-CB 3.76Å; Y126-L203 HydrophobicContact CE1-CD1 3.87Å; Y126-L203 HydrophobicContact CE1-CG 4.36Å; Y126-L203 HydrophobicContact CE2-CD1 3.89Å; Y126-L203 HydrophobicContact CG-CD1 4.48Å; L203-F205 WeakPolarHBondContact CD1-O 3.5Å; L203-P206 HydrophobicContact CD2-CB 4.45Å |
| 204 | V | 93.9 | Very high | 95.1 | Very high | 26 Ų | 26 | 49 Ų | 49 | 16% | 0.158 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | -53.5 | 174.9 | -172.2 | 0 | 0 | 0 | 0 | 109.6 | L49 V125 L172 F202 | L49-V204 HydrophobicContact CD2-CG1 4.16Å; L49-V204 HydrophobicContact CD2-CG2 4.32Å; V125-V204 HydrophobicContact CG1-CG2 4.45Å; V125-V204 WeakPolarHBondContact O-CB 3.15Å; V125-V204 PolarHBondContact O-N 2.81Å; L172-V204 HydrophobicContact CD2-CG2 3.95Å; F202-V204 HydrophobicContact CD2-CG2 4.49Å; F202-V204 HydrophobicContact CE2-CG2 4.09Å |
| 205 | F | 89.2 | Confident | 95.2 | Very high | 103 Ų | 103 | 52.6 Ų | 52.6 | 45% | 0.452 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 145.6 | 172 | 49.8 | -98.5 | 0 | 0 | 0 | 111 | G124 V125 L203 L207 | G124-F205 WeakPolarHBondContact CA-O 3.32Å; V125-F205 HydrophobicContact CB-CD2 4.38Å; V125-F205 HydrophobicContact CB-CE1 4.32Å; V125-F205 HydrophobicContact CB-CE2 3.87Å; V125-F205 HydrophobicContact CB-CZ 3.82Å; V125-F205 HydrophobicContact CG1-CZ 4.39Å; V125-F205 HydrophobicContact CG2-CD2 4.29Å; V125-F205 HydrophobicContact CG2-CE2 3.44Å; V125-F205 VanDerWaalsContact CG2-CE2 3.44Å; V125-F205 HydrophobicContact CG2-CZ 3.57Å; V125-F205 PolarHBondContact N-O 2.92Å; L203-F205 WeakPolarHBondContact CD1-O 3.5Å; F205-L207 HydrophobicContact CD2-CD2 4.21Å; F205-L207 HydrophobicContact CD2-CG 4.46Å; F205-L207 HydrophobicContact CE2-CD2 4.07Å; F205-L207 HydrophobicContact CE2-CG 4.42Å |
| 206 | P | 92.3 | Very high | 95.3 | Very high | 60 Ų | 60 | 53 Ų | 53 | 39% | 0.39 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 158.7 | 172.6 | 32.6 | -35.4 | 0 | 0 | 0 | 111.8 | K123 L203 | K123-P206 WeakPolarHBondContact O-CA 3.48Å; L203-P206 HydrophobicContact CD2-CB 4.45Å |
| 207 | L | 89 | Confident | 95.3 | Very high | 132 Ų | 132 | 44.7 Ų | 44.7 | 69% | 0.691 | 24% | 0.24 | S | C | * | . | trans | -122.6 | 0 | 171.6 | -67.4 | 171.2 | 0 | 0 | 0 | 111.5 | K123 V125 L174 F205 | K123-L207 HydrophobicContact CD-CB 4.13Å; K123-L207 HydrophobicContact CG-CB 4.08Å; K123-L207 PolarHBondContact O-N 2.94Å; K123-L207 VanDerWaalsContact O-N 3.1Å; V125-L207 HydrophobicContact CG2-CD1 4.37Å; L174-L207 HydrophobicContact CD1-CD1 3.36Å; F205-L207 HydrophobicContact CD2-CD2 4.21Å; F205-L207 HydrophobicContact CD2-CG 4.46Å; F205-L207 HydrophobicContact CE2-CD2 4.07Å; F205-L207 HydrophobicContact CE2-CG 4.42Å |
Retrieved 207 of 207 residues in 267.5 ms
(Link to these results)