| 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 | 43 | Very low | 52.1 | Low | 232 Ų | 232 | 158.2 Ų | 158.2 | 100% | 1.143 | 84% | 0.838 | S | S | * | * | 0 | 74.6 | 0 | -59.8 | 166.1 | 81.4 | 0 | 0 | 106.5 | |||||
| 2 | S | 43.6 | Very low | 51.9 | Low | 105 Ų | 105 | 156.3 Ų | 156.3 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | 64.5 | 112.7 | 96.6 | 60.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 3 | S | 52.8 | Low | 51.7 | Low | 106 Ų | 106 | 155.9 Ų | 155.9 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | trans | 64 | 109.2 | 145.1 | 62.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 4 | L | 54 | Low | 51.5 | Low | 166 Ų | 166 | 155.4 Ų | 155.4 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -173.9 | 43.4 | 133.1 | -102.2 | 148.8 | 0 | 0 | 0 | 113 | ||||
| 5 | W | 54.2 | Low | 51.4 | Low | 271 Ų | 271 | 153.5 Ų | 153.5 | 100% | 1.027 | 80% | 0.802 | S | S | * | * | trans | -118.3 | 58.8 | 170.6 | -93.7 | 22.2 | 0 | 0 | 0 | 111.1 | ||||
| 6 | S | 57.5 | Low | 51.1 | Low | 97 Ų | 97 | 152.3 Ų | 152.3 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -141.6 | 144.8 | 156.5 | 86.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 7 | L | 56.7 | Low | 50.9 | Low | 154 Ų | 154 | 148.4 Ų | 148.4 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | 100.2 | 46.3 | -172.7 | -62.9 | 146.3 | 0 | 0 | 0 | 117.3 | ||||
| 8 | R | 54.3 | Low | 50.9 | Low | 250 Ų | 250 | 147.1 Ų | 147.1 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -135.6 | 21.5 | 158 | -92.1 | -163.2 | 179.4 | -153.8 | 0.4 | 117.8 | ||
| 9 | P | 52.3 | Low | 50.7 | Low | 120 Ų | 120 | 150.2 Ų | 150.2 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -134.7 | 67.2 | 158.9 | 39.3 | -22.7 | 0 | 0 | 0 | 111.5 | ||
| 10 | A | 52.9 | Low | 50.7 | Low | 81 Ų | 81 | 149.6 Ų | 149.6 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -141.6 | -3.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 11 | L | 51.6 | Low | 50.5 | Low | 158 Ų | 158 | 147.1 Ų | 147.1 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -112.8 | 22 | 178.8 | -152.5 | 78.8 | 0 | 0 | 0 | 113.2 | ||
| 12 | E | 49.9 | Very low | 50.8 | Low | 136 Ų | 136 | 140.1 Ų | 140.1 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -125 | 16.7 | 172 | -89.3 | -73.2 | 155.7 | 0 | 0 | 111.2 | ||
| 13 | M | 48.9 | Very low | 51.1 | Low | 151 Ų | 151 | 140.2 Ų | 140.2 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -121.5 | 22.4 | 177.2 | -71.4 | -76.3 | 103.4 | 0 | 0 | 112.3 | ||
| 14 | L | 49.7 | Very low | 51 | Low | 149 Ų | 149 | 145.8 Ų | 145.8 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -125.6 | 3.6 | 175.7 | -141.3 | 118.3 | 0 | 0 | 0 | 114.5 | ||
| 15 | I | 49.7 | Very low | 50.9 | Low | 127 Ų | 127 | 143.7 Ų | 143.7 | 65% | 0.651 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -110.1 | -5.3 | 175 | -60.9 | 177.6 | 0 | 0 | 0 | 112.2 | ||
| 16 | H | 46.3 | Very low | 51 | Low | 133 Ų | 133 | 133.1 Ų | 133.1 | 62% | 0.616 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -104.6 | 14 | 176 | -75.7 | 160.7 | 0 | 0 | 0 | 115.2 | ||
| 17 | A | 48.3 | Very low | 50.8 | Low | 86 Ų | 86 | 133.9 Ų | 133.9 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -100.9 | 8.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 18 | T | 50.2 | Low | 50.6 | Low | 126 Ų | 126 | 133.8 Ų | 133.8 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | -126 | 26.3 | 179.3 | 42.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 19 | R | 48 | Very low | 50.6 | Low | 205 Ų | 205 | 129.4 Ų | 129.4 | 77% | 0.774 | 73% | 0.727 | S | S | * | * | trans | -108.3 | 53.8 | 165 | -62.9 | -167.2 | -164 | -177.6 | 7.4 | 112.1 | ||||
| 20 | V | 51.1 | Low | 50.7 | Low | 138 Ų | 138 | 128.5 Ų | 128.5 | 84% | 0.836 | 72% | 0.724 | S | S | * | * | trans | -119.6 | 65.4 | 149.4 | -172.2 | 0 | 0 | 0 | 0 | 106.4 | S22 | V20-S22 VanDerWaalsContact C-N 3.29Å; V20-S22 PolarHBondContact O-N 3.34Å; V20-S22 VanDerWaalsContact O-N 3.14Å | ||
| 21 | S | 45.6 | Very low | 50.7 | Low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | trans | -70.4 | 100.8 | 153.3 | 46.7 | 0 | 0 | 0 | 0 | 105.5 | S23 | S21-S23 PolarHBondContact O-N 3.43Š| ||
| 22 | S | 50.1 | Low | 51.2 | Low | 86 Ų | 86 | 133.4 Ų | 133.4 | 60% | 0.601 | 73% | 0.728 | S | S | * | * | trans | -58.5 | 92.4 | 159.6 | 50.6 | 0 | 0 | 0 | 0 | 106.9 | V20 W24 | V20-S22 VanDerWaalsContact C-N 3.29Å; V20-S22 PolarHBondContact O-N 3.34Å; V20-S22 VanDerWaalsContact O-N 3.14Å; S22-W24 PolarHBondContact O-N 3.41Å | ||
| 23 | S | 49.4 | Very low | 52.4 | Low | 106 Ų | 106 | 134.6 Ų | 134.6 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | -74 | 31.3 | 172.1 | 55.4 | 0 | 0 | 0 | 0 | 111.8 | S21 | S21-S23 PolarHBondContact O-N 3.43Š| ||
| 24 | W | 50.8 | Low | 54.2 | Low | 223 Ų | 223 | 129.7 Ų | 129.7 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | trans | -105.8 | 60.4 | 166 | -104.6 | 40.2 | 0 | 0 | 0 | 109 | S22 | S22-W24 PolarHBondContact O-N 3.41Š| ||
| 25 | T | 50.9 | Low | 56.1 | Low | 123 Ų | 123 | 126 Ų | 126 | 76% | 0.755 | 70% | 0.703 | S | S | * | * | trans | -122.5 | 40.3 | 160.4 | 47.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 26 | G | 56.5 | Low | 58.1 | Low | 48 Ų | 48 | 126.8 Ų | 126.8 | 50% | 0.495 | 71% | 0.708 | S | S | . | * | S | Bend | trans | -72.6 | 132 | 154.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | L28 | G26-L28 PolarHBondContact O-N 3.18Š|
| 27 | P | 53.3 | Low | 60.4 | Low | 114 Ų | 114 | 126.3 Ų | 126.3 | 74% | 0.74 | 71% | 0.71 | S | S | * | * | trans | -64.3 | 104.1 | 176.7 | 24.5 | -29.8 | 0 | 0 | 0 | 108.6 | L29 | P27-L29 PolarHBondContact O-N 3.26Š| ||
| 28 | L | 52.8 | Low | 62.5 | Low | 151 Ų | 151 | 126.2 Ų | 126.2 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 12.7 | 175.4 | -73.5 | 165.2 | 0 | 0 | 0 | 113.5 | G26 | G26-L28 PolarHBondContact O-N 3.18Š|
| 29 | L | 54.8 | Low | 64.6 | Low | 158 Ų | 158 | 125.2 Ų | 125.2 | 83% | 0.827 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.6 | 4.2 | -168.6 | -83.5 | 161.5 | 0 | 0 | 0 | 115.1 | P27 R31 | P27-L29 PolarHBondContact O-N 3.26Å; L29-R31 VanDerWaalsContact C-N 3.26Å; L29-R31 PolarHBondContact O-N 3.33Å |
| 30 | S | 52.8 | Low | 66.7 | Low | 102 Ų | 102 | 123.2 Ų | 123.2 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | trans | -81 | 79.4 | 163.8 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | T32 | S30-T32 PolarHBondContact O-N 3.29Š| ||
| 31 | R | 54.8 | Low | 68.7 | Low | 217 Ų | 217 | 127 Ų | 127 | 82% | 0.819 | 68% | 0.681 | S | S | * | * | trans | -57 | 87.9 | 161.9 | -84.8 | 172.9 | 77.4 | -161.8 | 6.6 | 108.9 | L29 M33 | L29-R31 VanDerWaalsContact C-N 3.26Å; L29-R31 PolarHBondContact O-N 3.33Å; R31-M33 PolarHBondContact O-N 2.79Å | ||
| 32 | T | 60.2 | Low | 71 | Confident | 124 Ų | 124 | 129.6 Ų | 129.6 | 76% | 0.761 | 68% | 0.682 | S | S | * | * | trans | 23.5 | 63.4 | 141.5 | 52.7 | 0 | 0 | 0 | 0 | 116.9 | S30 | S30-T32 PolarHBondContact O-N 3.29Š| ||
| 33 | M | 76.6 | Confident | 72.9 | Confident | 162 Ų | 162 | 127.6 Ų | 127.6 | 80% | 0.798 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 131.6 | 160.5 | -70.2 | -68.6 | 93.7 | 0 | 0 | 108.7 | R31 T35 | R31-M33 PolarHBondContact O-N 2.79Å; M33-T35 PolarHBondContact O-N 2.78Å |
| 34 | A | 85.3 | Confident | 75 | Confident | 48 Ų | 48 | 131.9 Ų | 131.9 | 40% | 0.397 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 136.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q38 M39 | A34-Q38 HydrophobicContact CB-CB 4.47Å; A34-M39 HydrophobicContact CB-CG 3.91Å |
| 35 | T | 91.5 | Very high | 76.9 | Confident | 70 Ų | 70 | 127.3 Ų | 127.3 | 43% | 0.429 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 154.4 | 178.9 | 70 | 0 | 0 | 0 | 0 | 110.5 | M33 N37 Q38 M39 | M33-T35 PolarHBondContact O-N 2.78Å; T35-N37 PolarHBondContact O-N 3.33Å; T35-Q38 WeakPolarHBondContact O-CA 3.47Å; T35-Q38 WeakPolarHBondContact O-CB 3.43Å; T35-Q38 PolarHBondContact O-N 2.84Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.3Å; T35-Q38 PolarHBondContact OG1-N 2.72Å; T35-M39 PolarHBondContact O-N 3.15Å |
| 36 | L | 91.3 | Very high | 78.9 | Confident | 144 Ų | 144 | 131 Ų | 131 | 75% | 0.754 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -54.7 | -37.2 | 176.4 | -67.7 | 176.4 | 0 | 0 | 0 | 112.1 | M39 H40 | L36-M39 PolarHBondContact O-N 2.72Å; L36-H40 VanDerWaalsContact O-CB 3.24Å; L36-H40 WeakPolarHBondContact O-CB 3.36Å; L36-H40 PolarHBondContact O-N 2.83Å |
| 37 | N | 94.5 | Very high | 80.8 | Confident | 123 Ų | 123 | 135 Ų | 135 | 66% | 0.658 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -68.2 | -36.7 | 174.9 | -69.4 | -15.7 | 0 | 0 | 0 | 112.6 | T35 R41 | T35-N37 PolarHBondContact O-N 3.33Å; N37-R41 WeakPolarHBondContact O-CB 3.38Å; N37-R41 WeakPolarHBondContact O-CG 3.34Å; N37-R41 PolarHBondContact O-N 2.82Å |
| 38 | Q | 92.9 | Very high | 82.7 | Confident | 84 Ų | 84 | 134.5 Ų | 134.5 | 39% | 0.393 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -65.4 | -45.2 | 173.3 | -73.8 | 164.7 | 0.9 | 0 | 0 | 110.8 | A34 T35 R41 Q42 | A34-Q38 HydrophobicContact CB-CB 4.47Å; T35-Q38 WeakPolarHBondContact O-CA 3.47Å; T35-Q38 WeakPolarHBondContact O-CB 3.43Å; T35-Q38 PolarHBondContact O-N 2.84Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.3Å; T35-Q38 PolarHBondContact OG1-N 2.72Å; Q38-R41 PolarHBondContact O-N 2.86Å; Q38-Q42 VanDerWaalsContact O-CB 3.3Å; Q38-Q42 WeakPolarHBondContact O-CB 3.1Å; Q38-Q42 VanDerWaalsContact O-CG 3.25Å; Q38-Q42 WeakPolarHBondContact O-CG 3.22Å; Q38-Q42 PolarHBondContact O-N 2.84Å |
| 39 | M | 92.9 | Very high | 84.6 | Confident | 106 Ų | 106 | 133.3 Ų | 133.3 | 52% | 0.522 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -64.5 | -40.4 | 176.4 | -67.6 | 177.7 | 62.7 | 0 | 0 | 112.1 | A34 T35 L36 Q42 G43 | A34-M39 HydrophobicContact CB-CG 3.91Å; T35-M39 PolarHBondContact O-N 3.15Å; L36-M39 PolarHBondContact O-N 2.72Å; M39-Q42 PolarHBondContact O-N 3.48Å; M39-G43 WeakPolarHBondContact O-CA 3.19Å; M39-G43 PolarHBondContact O-N 2.92Å |
| 40 | H | 93.4 | Very high | 86.5 | Confident | 163 Ų | 163 | 135.5 Ų | 135.5 | 76% | 0.755 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -64 | -42.7 | 176.4 | -176.3 | 67.9 | 0 | 0 | 0 | 111.6 | L36 | L36-H40 VanDerWaalsContact O-CB 3.24Å; L36-H40 WeakPolarHBondContact O-CB 3.36Å; L36-H40 PolarHBondContact O-N 2.83Å |
| 41 | R | 93.3 | Very high | 88.4 | Confident | 218 Ų | 218 | 135.3 Ų | 135.3 | 82% | 0.823 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -68.6 | -39.1 | 176.4 | -72.6 | 173.9 | 68.6 | -167.1 | 2 | 113.4 | N37 Q38 | N37-R41 WeakPolarHBondContact O-CB 3.38Å; N37-R41 WeakPolarHBondContact O-CG 3.34Å; N37-R41 PolarHBondContact O-N 2.82Å; Q38-R41 PolarHBondContact O-N 2.86Å |
| 42 | Q | 91.9 | Very high | 90.2 | Very high | 151 Ų | 151 | 131.1 Ų | 131.1 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -82.5 | -26.4 | -177.9 | -69.7 | 177 | 4.6 | 0 | 0 | 112.6 | Q38 M39 | Q38-Q42 VanDerWaalsContact O-CB 3.3Å; Q38-Q42 WeakPolarHBondContact O-CB 3.1Å; Q38-Q42 VanDerWaalsContact O-CG 3.25Å; Q38-Q42 WeakPolarHBondContact O-CG 3.22Å; Q38-Q42 PolarHBondContact O-N 2.84Å; M39-Q42 PolarHBondContact O-N 3.48Å |
| 43 | G | 91.9 | Very high | 91.8 | Very high | 45 Ų | 45 | 127.5 Ų | 127.5 | 46% | 0.464 | 69% | 0.686 | S | S | . | * | trans | 65.3 | -166.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M39 | M39-G43 WeakPolarHBondContact O-CA 3.19Å; M39-G43 PolarHBondContact O-N 2.92Å | ||
| 44 | K | 93.1 | Very high | 92.5 | Very high | 195 Ų | 195 | 121.4 Ų | 121.4 | 85% | 0.848 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -68 | 133.5 | 175.5 | -66.6 | -179.8 | 179.5 | 179.8 | 0 | 109.5 | K46 | K44-K46 PolarHBondContact O-N 2.89Š|
| 45 | P | 91.2 | Very high | 93 | Very high | 127 Ų | 127 | 119.9 Ų | 119.9 | 83% | 0.825 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 125.6 | 177.6 | 25.1 | -33.1 | 0 | 0 | 0 | 109.6 | ||
| 46 | K | 92.9 | Very high | 93.2 | Very high | 201 Ų | 201 | 120.3 Ų | 120.3 | 87% | 0.874 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 128.7 | 177.7 | -65.7 | -179.7 | -177.9 | 177.3 | 0 | 109 | K44 | K44-K46 PolarHBondContact O-N 2.89Š|
| 47 | V | 95.1 | Very high | 93.3 | Very high | 133 Ų | 133 | 116.3 Ų | 116.3 | 81% | 0.806 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 127.2 | 173 | -176.6 | 0 | 0 | 0 | 0 | 108 | ||
| 48 | P | 93.7 | Very high | 93.4 | Very high | 102 Ų | 102 | 116.8 Ų | 116.8 | 66% | 0.662 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 145.5 | 177.9 | 26.1 | -34 | 0 | 0 | 0 | 110.3 | ||
| 49 | P | 93.4 | Very high | 93.5 | Very high | 126 Ų | 126 | 117.4 Ų | 117.4 | 82% | 0.818 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 147.6 | 178.5 | 27.3 | -34.4 | 0 | 0 | 0 | 110.9 | A51 | P49-A51 PolarHBondContact O-N 2.89Š|
| 50 | K | 92.9 | Very high | 93.8 | Very high | 204 Ų | 204 | 116.8 Ų | 116.8 | 89% | 0.887 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 128.6 | 178.3 | -64.9 | 179.4 | -177.4 | 176.3 | 0 | 110 | ||
| 51 | A | 92.8 | Very high | 94 | Very high | 99 Ų | 99 | 109.2 Ų | 109.2 | 82% | 0.818 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 144.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | P49 | P49-A51 PolarHBondContact O-N 2.89Š|
| 52 | L | 93.6 | Very high | 94.2 | Very high | 129 Ų | 129 | 103.9 Ų | 103.9 | 68% | 0.675 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 142.2 | 177.1 | -61.7 | 177.1 | 0 | 0 | 0 | 111.2 | ||
| 53 | G | 92.8 | Very high | 94.5 | Very high | 48 Ų | 48 | 96.8 Ų | 96.8 | 50% | 0.495 | 55% | 0.551 | S | S | . | * | trans | -73.9 | -175.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T55 F56 | G53-T55 PolarHBondContact O-N 3.11Å; G53-T55 VanDerWaalsContact O-N 3.16Å; G53-F56 PolarHBondContact O-N 3.45Å | ||
| 54 | A | 93.2 | Very high | 94.8 | Very high | 33 Ų | 33 | 97.3 Ų | 97.3 | 27% | 0.273 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -21.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F56 K125 L126 | A54-F56 WeakPolarHBondContact O-CE2 3.44Å; A54-K125 HydrophobicContact CB-CB 3.65Å; A54-K125 HydrophobicContact CB-CD 4.28Å; A54-L126 HydrophobicContact CB-CD2 3.72Å; A54-L126 HydrophobicContact CB-CG 4.1Å |
| 55 | T | 95.1 | Very high | 95.1 | Very high | 17 Ų | 17 | 88.1 Ų | 88.1 | 10% | 0.104 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 9.7 | 174.9 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | G53 G57 R58 L61 L126 | G53-T55 PolarHBondContact O-N 3.11Å; G53-T55 VanDerWaalsContact O-N 3.16Å; T55-G57 VanDerWaalsContact C-N 3.29Å; T55-G57 PolarHBondContact O-N 2.68Å; T55-R58 WeakPolarHBondContact CB-O 3.2Å; T55-R58 WeakPolarHBondContact O-CB 3.39Å; T55-R58 PolarHBondContact O-N 2.85Å; T55-R58 VanDerWaalsContact O-N 3.09Å; T55-R58 PolarHBondContact OG1-O 3Å; T55-L61 HydrophobicContact CG2-CD1 4.49Å; T55-L126 HydrophobicContact CG2-CD2 3.66Å |
| 56 | F | 94.9 | Very high | 95.4 | Very high | 78 Ų | 78 | 85 Ų | 85 | 34% | 0.342 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 39.4 | 178.1 | -54 | -83.9 | 0 | 0 | 0 | 113.2 | G53 A54 R58 L61 N90 K92 | G53-F56 PolarHBondContact O-N 3.45Å; A54-F56 WeakPolarHBondContact O-CE2 3.44Å; F56-R58 VanDerWaalsContact C-N 3.29Å; F56-R58 PolarHBondContact O-N 2.85Å; F56-L61 HydrophobicContact CD2-CD1 4.46Å; F56-N90 WeakPolarHBondContact CD2-ND2 3.11Å; F56-N90 WeakPolarHBondContact CE2-ND2 3.37Å; F56-K92 HydrophobicContact CE1-CD 4.02Å; F56-K92 HydrophobicContact CE2-CD 4Å; F56-K92 HydrophobicContact CZ-CD 3.38Å |
| 57 | G | 94.3 | Very high | 95.7 | Very high | 60 Ų | 60 | 81.4 Ų | 81.4 | 62% | 0.619 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 4.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T55 | T55-G57 VanDerWaalsContact C-N 3.29Å; T55-G57 PolarHBondContact O-N 2.68Å |
| 58 | R | 95.9 | Very high | 95.8 | Very high | 133 Ų | 133 | 77.5 Ų | 77.5 | 50% | 0.502 | 44% | 0.442 | S | S | . | . | trans | -98.2 | 147.4 | 179.3 | -57.4 | 170.6 | 81.4 | -174.4 | 13.6 | 110.6 | T55 F56 L61 | T55-R58 WeakPolarHBondContact CB-O 3.2Å; T55-R58 WeakPolarHBondContact O-CB 3.39Å; T55-R58 PolarHBondContact O-N 2.85Å; T55-R58 VanDerWaalsContact O-N 3.09Å; T55-R58 PolarHBondContact OG1-O 3Å; F56-R58 VanDerWaalsContact C-N 3.29Å; F56-R58 PolarHBondContact O-N 2.85Å; R58-L61 HydrophobicContact CB-CD2 4.29Å | ||
| 59 | P | 96.4 | Very high | 96 | Very high | 98 Ų | 98 | 74.8 Ų | 74.8 | 64% | 0.636 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -65.4 | -48.6 | 178.2 | -24 | 35.2 | 0 | 0 | 0 | 112.8 | ||
| 60 | Q | 97.4 | Very high | 96.2 | Very high | 92 Ų | 92 | 73.1 Ų | 73.1 | 43% | 0.43 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 161.7 | 176.4 | -55.2 | 85.3 | 17.1 | 0 | 0 | 111.7 | L112 V113 Q114 | Q60-L112 HydrophobicContact CB-CD1 3.77Å; Q60-L112 HydrophobicContact CB-CD2 4.28Å; Q60-L112 HydrophobicContact CB-CG 4.01Å; Q60-L112 HydrophobicContact CG-CD2 4.27Å; Q60-L112 HydrophobicContact CG-CG 4.39Å; Q60-V113 CarbonylContact C-O 3.54Å; Q60-V113 WeakPolarHBondContact CA-O 3.49Å; Q60-V113 WeakPolarHBondContact CB-O 3.22Å; Q60-Q114 HydrophobicContact CG-CB 3.96Å |
| 61 | L | 97.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 67.6 Ų | 67.6 | 3% | 0.026 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 136.5 | 177.9 | -68.3 | 174.3 | 0 | 0 | 0 | 109.9 | T55 F56 R58 L88 V113 | T55-L61 HydrophobicContact CG2-CD1 4.49Å; F56-L61 HydrophobicContact CD2-CD1 4.46Å; R58-L61 HydrophobicContact CB-CD2 4.29Å; L61-L88 HydrophobicContact CB-CD2 4.28Å; L61-L88 HydrophobicContact CD1-CD1 4.01Å; L61-L88 HydrophobicContact CD1-CD2 4.3Å; L61-V113 PolarHBondContact N-O 3.47Å; L61-V113 PolarHBondContact O-N 3.14Å |
| 62 | K | 98.3 | Very high | 96.6 | Very high | 105 Ų | 105 | 69.6 Ų | 69.6 | 46% | 0.457 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 141.2 | 165.4 | -170.4 | 179.5 | -176 | -176.2 | 0 | 109 | S89 V110 Y133 | K62-S89 WeakPolarHBondContact O-CB 3.42Å; K62-S89 PolarHBondContact O-N 2.96Å; K62-S89 PolarHBondContact O-OG 2.81Å; K62-V110 HydrophobicContact CD-CG1 4.22Å; K62-V110 HydrophobicContact CG-CG1 3.93Å; K62-Y133 HydrophobicContact CG-CE2 4.27Å |
| 63 | A | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 2% | 0.017 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 154.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V86 R87 L88 V110 V111 V113 | A63-V86 HydrophobicContact CB-CB 3.97Å; A63-V86 HydrophobicContact CB-CG2 3.89Å; A63-R87 CarbonylContact C-O 3.41Å; A63-R87 VanDerWaalsContact CA-O 3.22Å; A63-R87 WeakPolarHBondContact CA-O 3.46Å; A63-R87 WeakPolarHBondContact CB-O 3.5Å; A63-L88 HydrophobicContact CB-CD2 3.9Å; A63-V110 WeakPolarHBondContact O-CA 3.46Å; A63-V111 HydrophobicContact CB-CG2 4.23Å; A63-V111 PolarHBondContact N-O 3.16Å; A63-V111 PolarHBondContact O-N 2.94Å; A63-V113 HydrophobicContact CB-CG2 3.76Å |
| 64 | V | 98.6 | Very high | 97 | Very high | 57 Ų | 57 | 67.6 Ų | 67.6 | 35% | 0.345 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.6 | 171.6 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | V86 R87 V110 | V64-V86 CarbonylContact O-C 3.6Å; V64-V86 VanDerWaalsContact O-CA 3.26Å; V64-V86 WeakPolarHBondContact O-CA 3.02Å; V64-V86 WeakPolarHBondContact O-CB 3.47Å; V64-R87 PolarHBondContact N-O 2.69Å; V64-R87 PolarHBondContact O-N 2.98Å; V64-V110 HydrophobicContact CG2-CG2 4.45Å |
| 65 | I | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 127.2 | 178.4 | -63 | 176.1 | 0 | 0 | 0 | 109.5 | T68 A84 V86 L105 Q106 H108 N109 V111 | I65-T68 HydrophobicContact CG2-CG2 4.25Å; I65-A84 HydrophobicContact CD1-CB 4.45Å; I65-A84 HydrophobicContact CG1-CB 4.41Å; I65-A84 HydrophobicContact CG2-CB 4.23Å; I65-V86 HydrophobicContact CG1-CG1 3.96Å; I65-L105 HydrophobicContact CD1-CB 3.71Å; I65-L105 HydrophobicContact CD1-CD1 3.94Å; I65-L105 HydrophobicContact CD1-CD2 4.08Å; I65-L105 HydrophobicContact CD1-CG 4.12Å; I65-Q106 WeakPolarHBondContact CG2-O 3.47Å; I65-H108 PolarHBondContact O-N 2.83Å; I65-N109 HydrophobicContact CD1-CB 4.24Å; I65-N109 PolarHBondContact N-O 3.09Å; I65-V111 HydrophobicContact CD1-CG1 3.85Å; I65-V111 HydrophobicContact CD1-CG2 4.47Å; I65-V111 HydrophobicContact CG1-CG1 4.34Å; I65-V111 HydrophobicContact CG1-CG2 4.15Å |
| 66 | L | 98.3 | Very high | 97.2 | Very high | 61 Ų | 61 | 80 Ų | 80 | 32% | 0.319 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -44 | 171.3 | -58.6 | -177.5 | 0 | 0 | 0 | 110.8 | H85 R87 E93 E107 | L66-H85 PolarHBondContact N-O 2.87Å; L66-R87 HydrophobicContact CD1-CB 4.25Å; L66-R87 HydrophobicContact CD2-CB 4.15Å; L66-R87 HydrophobicContact CG-CB 4.23Å; L66-E93 HydrophobicContact CD1-CG 4.1Å; L66-E107 WeakPolarHBondContact O-CG 3.32Å |
| 67 | K | 98.1 | Very high | 97.3 | Very high | 126 Ų | 126 | 79.8 Ų | 79.8 | 55% | 0.548 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 136.6 | -179.2 | -176.8 | 171.5 | -177.7 | 171.3 | 0 | 111.9 | A84 H85 | K67-A84 CarbonylContact O-C 3.26Å; K67-A84 WeakPolarHBondContact O-CA 3.43Å; K67-H85 HydrophobicContact CB-CB 4.41Å; K67-H85 PolarHBondContact N-O 3.33Å; K67-H85 PolarHBondContact O-N 3.23Å |
| 68 | T | 97.9 | Very high | 97.3 | Very high | 51 Ų | 51 | 82.6 Ų | 82.6 | 31% | 0.313 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 135.3 | 168.7 | 54.7 | 0 | 0 | 0 | 0 | 111 | I65 L105 | I65-T68 HydrophobicContact CG2-CG2 4.25Å; T68-L105 WeakPolarHBondContact CG2-O 3.41Å |
| 69 | M | 97.3 | Very high | 97.4 | Very high | 46 Ų | 46 | 77.9 Ų | 77.9 | 23% | 0.227 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 160.2 | -178.5 | 61 | 174.7 | 165.2 | 0 | 0 | 113.1 | C83 H85 V95 | M69-C83 HydrophobicContact CG-CB 4.24Å; M69-C83 PolarHBondContact N-O 3.42Å; M69-C83 CarbonylContact O-C 3.53Å; M69-C83 WeakPolarHBondContact O-CA 3.21Å; M69-C83 PolarHBondContact O-N 3.49Å; M69-H85 HydrophobicContact CE-CB 4.08Å; M69-V95 HydrophobicContact CE-CB 4.04Å; M69-V95 HydrophobicContact CE-CG1 3.41Å; M69-V95 VanDerWaalsContact CE-CG1 3.41Å; M69-V95 HydrophobicContact CE-CG2 3.51Å |
| 70 | I | 97.8 | Very high | 97.4 | Very high | 90 Ų | 90 | 77.6 Ų | 77.6 | 46% | 0.462 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.1 | 176.2 | -58 | 176.4 | 0 | 0 | 0 | 108.2 | N80 R81 K82 | I70-N80 HydrophobicContact CG2-CB 3.61Å; I70-R81 WeakPolarHBondContact CA-O 3.46Å; I70-K82 HydrophobicContact CD1-CD 4.29Å; I70-K82 VanDerWaalsContact CD1-NZ 3.32Å; I70-K82 HydrophobicContact CG1-CD 4.01Å |
| 71 | R | 97.4 | Very high | 97.4 | Very high | 88 Ų | 88 | 77.3 Ų | 77.3 | 33% | 0.332 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 140.9 | 175.6 | -68.3 | -170.1 | 171.6 | -163.4 | -7.5 | 111 | R81 L121 | R71-R81 PolarHBondContact N-O 2.92Å; R71-R81 WeakPolarHBondContact O-CB 3.43Å; R71-R81 PolarHBondContact O-N 3.11Å; R71-L121 HydrophobicContact CB-CD2 3.85Å |
| 72 | K | 97.5 | Very high | 97.4 | Very high | 142 Ų | 142 | 81.2 Ų | 81.2 | 62% | 0.617 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -80.3 | 139.2 | 171.1 | -64.4 | -62.5 | -167.2 | 170 | 0 | 109.5 | A79 N80 | K72-A79 WeakPolarHBondContact CD-O 3.4Å; K72-N80 WeakPolarHBondContact CE-OD1 3.23Å; K72-N80 PolarHBondContact NZ-OD1 2.91Å |
| 73 | P | 98.1 | Very high | 97.4 | Very high | 16 Ų | 16 | 76.2 Ų | 76.2 | 10% | 0.104 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -69 | 164.9 | 174.1 | 32.5 | -37.2 | 0 | 0 | 0 | 111.4 | N77 A79 D120 | P73-N77 HydrophobicContact CB-CB 4.22Å; P73-N77 HydrophobicContact CG-CB 4.11Å; P73-N77 WeakPolarHBondContact CG-O 3.49Å; P73-A79 WeakPolarHBondContact CD-O 3.43Å; P73-A79 HydrophobicContact CG-CB 4.36Å; P73-D120 HydrophobicContact CB-CB 3.75Å |
| 74 | K | 96.7 | Very high | 97.4 | Very high | 119 Ų | 119 | 76.1 Ų | 76.1 | 52% | 0.517 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 149 | 165.9 | 69.3 | -178.7 | -179.8 | 168.5 | 0 | 110.5 | N77 Q119 D120 | K74-N77 PolarHBondContact O-N 2.91Å; K74-Q119 WeakPolarHBondContact CE-O 3.43Å; K74-D120 WeakPolarHBondContact CG-O 3.47Å; K74-D120 PolarHBondContact N-O 3.39Å |
| 75 | K | 95.3 | Very high | 97.4 | Very high | 198 Ų | 198 | 76.1 Ų | 76.1 | 86% | 0.861 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 138.5 | 165.1 | -171.6 | 176.2 | -178.8 | -178.6 | 0 | 108.3 | ||
| 76 | P | 96.9 | Very high | 97.4 | Very high | 112 Ų | 112 | 76 Ų | 76 | 73% | 0.727 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85 | -9.3 | 17.8 | 34.4 | -37.7 | 0 | 0 | 0 | 116 | ||
| 77 | N | 97 | Very high | 97.4 | Very high | 74 Ų | 74 | 79.8 Ų | 79.8 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | trans | -83.5 | 150.8 | -171.3 | -61.5 | -24.8 | 0 | 0 | 0 | 110.9 | P73 K74 D120 | P73-N77 HydrophobicContact CB-CB 4.22Å; P73-N77 HydrophobicContact CG-CB 4.11Å; P73-N77 WeakPolarHBondContact CG-O 3.49Å; K74-N77 PolarHBondContact O-N 2.91Å; N77-D120 PolarHBondContact ND2-OD1 3.23Å | ||
| 78 | S | 94.8 | Very high | 97.4 | Very high | 118 Ų | 118 | 74.1 Ų | 74.1 | 83% | 0.825 | 37% | 0.366 | S | S | * | . | trans | -133.5 | 119.9 | 172.8 | 60 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 79 | A | 96.3 | Very high | 97.3 | Very high | 34 Ų | 34 | 75.1 Ų | 75.1 | 28% | 0.281 | 38% | 0.375 | S | S | . | . | trans | -168 | 171.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | K72 P73 | K72-A79 WeakPolarHBondContact CD-O 3.4Å; P73-A79 WeakPolarHBondContact CD-O 3.43Å; P73-A79 HydrophobicContact CG-CB 4.36Å | ||
| 80 | N | 96.8 | Very high | 97.2 | Very high | 93 Ų | 93 | 75.8 Ų | 75.8 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | trans | -104.4 | 100.9 | 168 | -75.8 | -22.8 | 0 | 0 | 0 | 109.4 | I70 K72 | I70-N80 HydrophobicContact CG2-CB 3.61Å; K72-N80 WeakPolarHBondContact CE-OD1 3.23Å; K72-N80 PolarHBondContact NZ-OD1 2.91Å | ||
| 81 | R | 97.6 | Very high | 97.2 | Very high | 85 Ų | 85 | 73.3 Ų | 73.3 | 32% | 0.321 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 125.3 | 178.2 | -59.9 | -61.7 | -168.8 | -174.2 | 0.1 | 110.1 | I70 R71 C83 F97 D120 L121 | I70-R81 WeakPolarHBondContact CA-O 3.46Å; R71-R81 PolarHBondContact N-O 2.92Å; R71-R81 WeakPolarHBondContact O-CB 3.43Å; R71-R81 PolarHBondContact O-N 3.11Å; R81-C83 PolarHBondContact O-N 2.85Å; R81-F97 HydrophobicContact CB-CE2 4.3Å; R81-D120 IonicContact CZ-OD2 3.42Å; R81-D120 IonicContact NE-OD2 3.46Å; R81-D120 PolarHBondContact NE-OD2 2.93Å; R81-D120 IonicContact NH2-OD2 2.69Å; R81-D120 PolarHBondContact NH2-OD2 3.24Å; R81-L121 HydrophobicContact CB-CD1 3.82Å; R81-L121 HydrophobicContact CB-CD2 4.1Å; R81-L121 HydrophobicContact CB-CG 4.29Å; R81-L121 HydrophobicContact CG-CD1 4.24Å; R81-L121 HydrophobicContact CG-CD2 4.08Å; R81-L121 HydrophobicContact CG-CG 4.24Å |
| 82 | K | 97.8 | Very high | 97.1 | Very high | 88 Ų | 88 | 74.5 Ų | 74.5 | 38% | 0.383 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 122.2 | 177.8 | -58.5 | -54.2 | -174.8 | 171.9 | 0 | 110 | I70 F97 I98 | I70-K82 HydrophobicContact CD1-CD 4.29Å; I70-K82 VanDerWaalsContact CD1-NZ 3.32Å; I70-K82 HydrophobicContact CG1-CD 4.01Å; K82-F97 WeakPolarHBondContact O-CD2 3.42Å; K82-I98 HydrophobicContact CB-CB 4.47Å; K82-I98 PolarHBondContact O-N 2.92Å; K82-I98 VanDerWaalsContact O-N 3.11Å |
| 83 | C | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 165.9 | -178.4 | -57.9 | 0 | 0 | 0 | 0 | 110.3 | M69 R81 V95 V96 L121 | M69-C83 HydrophobicContact CG-CB 4.24Å; M69-C83 PolarHBondContact N-O 3.42Å; M69-C83 CarbonylContact O-C 3.53Å; M69-C83 WeakPolarHBondContact O-CA 3.21Å; M69-C83 PolarHBondContact O-N 3.49Å; R81-C83 PolarHBondContact O-N 2.85Å; C83-V95 HydrophobicContact CB-CG1 4.2Å; C83-V96 CarbonylContact C-O 3.59Å; C83-V96 VanDerWaalsContact CA-O 3.23Å; C83-V96 WeakPolarHBondContact CA-O 3.46Å; C83-V96 WeakPolarHBondContact CB-O 3.26Å; C83-L121 WeakPolarHBondContact SG-CD1 3.02Å |
| 84 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 145.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | I65 K67 V86 V95 V96 I98 | I65-A84 HydrophobicContact CD1-CB 4.45Å; I65-A84 HydrophobicContact CG1-CB 4.41Å; I65-A84 HydrophobicContact CG2-CB 4.23Å; K67-A84 CarbonylContact O-C 3.26Å; K67-A84 WeakPolarHBondContact O-CA 3.43Å; A84-V86 HydrophobicContact CB-CG1 4.01Å; A84-V95 WeakPolarHBondContact O-CA 3.45Å; A84-V96 HydrophobicContact CB-CG2 3.9Å; A84-V96 PolarHBondContact N-O 2.87Å; A84-V96 PolarHBondContact O-N 3.07Å; A84-I98 HydrophobicContact CB-CD1 4.19Å |
| 85 | H | 98.3 | Very high | 97.2 | Very high | 56 Ų | 56 | 68.8 Ų | 68.8 | 26% | 0.259 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 124.2 | 164 | -156.9 | -71.2 | 0 | 0 | 0 | 107.6 | L66 K67 M69 E93 | L66-H85 PolarHBondContact N-O 2.87Å; K67-H85 HydrophobicContact CB-CB 4.41Å; K67-H85 PolarHBondContact N-O 3.33Å; K67-H85 PolarHBondContact O-N 3.23Å; M69-H85 HydrophobicContact CE-CB 4.08Å; H85-E93 IonicContact CE1-OE2 3.32Å; H85-E93 PolarHBondContact CE1-OE2 2.87Å; H85-E93 VanDerWaalsContact CE1-OE2 3.32Å |
| 86 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 149 | -173.6 | -52 | 0 | 0 | 0 | 0 | 111 | A63 V64 I65 A84 L88 E93 A94 V96 | A63-V86 HydrophobicContact CB-CB 3.97Å; A63-V86 HydrophobicContact CB-CG2 3.89Å; V64-V86 CarbonylContact O-C 3.6Å; V64-V86 VanDerWaalsContact O-CA 3.26Å; V64-V86 WeakPolarHBondContact O-CA 3.02Å; V64-V86 WeakPolarHBondContact O-CB 3.47Å; I65-V86 HydrophobicContact CG1-CG1 3.96Å; A84-V86 HydrophobicContact CB-CG1 4.01Å; V86-L88 HydrophobicContact CG2-CD2 4.07Å; V86-E93 VanDerWaalsContact O-CA 3.32Å; V86-E93 WeakPolarHBondContact O-CA 3.18Å; V86-A94 PolarHBondContact N-O 3.43Å; V86-A94 PolarHBondContact O-N 2.97Å; V86-V96 HydrophobicContact CG1-CG1 4.31Å; V86-V96 HydrophobicContact CG1-CG2 3.58Å; V86-V96 HydrophobicContact CG2-CG1 3.49Å; V86-V96 VanDerWaalsContact CG2-CG1 3.49Å; V86-V96 HydrophobicContact CG2-CG2 4.32Å |
| 87 | R | 98.4 | Very high | 97.4 | Very high | 139 Ų | 139 | 55.9 Ų | 55.9 | 53% | 0.525 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 115.1 | 166.3 | -172.8 | 168.9 | 178 | 167.8 | -1.7 | 108.7 | A63 V64 L66 E93 | A63-R87 CarbonylContact C-O 3.41Å; A63-R87 VanDerWaalsContact CA-O 3.22Å; A63-R87 WeakPolarHBondContact CA-O 3.46Å; A63-R87 WeakPolarHBondContact CB-O 3.5Å; V64-R87 PolarHBondContact N-O 2.69Å; V64-R87 PolarHBondContact O-N 2.98Å; L66-R87 HydrophobicContact CD1-CB 4.25Å; L66-R87 HydrophobicContact CD2-CB 4.15Å; L66-R87 HydrophobicContact CG-CB 4.23Å; R87-E93 HydrophobicContact CG-CG 4.49Å |
| 88 | L | 98 | Very high | 97.4 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 157.1 | 177.6 | -61.2 | 173.8 | 0 | 0 | 0 | 110.1 | L61 A63 V86 N90 G91 K92 A94 V113 L126 | L61-L88 HydrophobicContact CB-CD2 4.28Å; L61-L88 HydrophobicContact CD1-CD1 4.01Å; L61-L88 HydrophobicContact CD1-CD2 4.3Å; A63-L88 HydrophobicContact CB-CD2 3.9Å; V86-L88 HydrophobicContact CG2-CD2 4.07Å; L88-N90 WeakPolarHBondContact CB-OD1 3.2Å; L88-N90 PolarHBondContact O-N 3.04Å; L88-G91 PolarHBondContact O-N 3.2Å; L88-K92 WeakPolarHBondContact CB-O 3.07Å; L88-K92 PolarHBondContact N-O 3.46Å; L88-A94 HydrophobicContact CD1-CB 4.15Å; L88-A94 HydrophobicContact CG-CB 4.47Å; L88-V113 HydrophobicContact CD2-CG2 4.49Å; L88-L126 HydrophobicContact CD1-CD1 4.08Å; L88-L126 HydrophobicContact CD2-CD1 4.25Å |
| 89 | S | 97.4 | Very high | 97.5 | Very high | 73 Ų | 73 | 48.4 Ų | 48.4 | 51% | 0.51 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -18.9 | 175.1 | 47.5 | 0 | 0 | 0 | 0 | 115 | K62 G91 | K62-S89 WeakPolarHBondContact O-CB 3.42Å; K62-S89 PolarHBondContact O-N 2.96Å; K62-S89 PolarHBondContact O-OG 2.81Å; S89-G91 PolarHBondContact O-N 2.69Å |
| 90 | N | 95.2 | Very high | 97.4 | Very high | 59 Ų | 59 | 49.6 Ų | 49.6 | 32% | 0.316 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 5.6 | 173.6 | 64.7 | 6.4 | 0 | 0 | 0 | 113.4 | F56 L88 K92 | F56-N90 WeakPolarHBondContact CD2-ND2 3.11Å; F56-N90 WeakPolarHBondContact CE2-ND2 3.37Å; L88-N90 WeakPolarHBondContact CB-OD1 3.2Å; L88-N90 PolarHBondContact O-N 3.04Å; N90-K92 VanDerWaalsContact C-N 3.26Å; N90-K92 PolarHBondContact O-N 3.24Å; N90-K92 WeakPolarHBondContact OD1-CB 3.32Å; N90-K92 PolarHBondContact OD1-N 3.47Å |
| 91 | G | 96.1 | Very high | 97.3 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 82.5 | -10.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | L88 S89 | L88-G91 PolarHBondContact O-N 3.2Å; S89-G91 PolarHBondContact O-N 2.69Å |
| 92 | K | 96.9 | Very high | 97 | Very high | 113 Ų | 113 | 51 Ų | 51 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | trans | -81.1 | 144.9 | 179.4 | -65.3 | -178.6 | 176.8 | -178.7 | 0 | 111.1 | F56 L88 N90 | F56-K92 HydrophobicContact CE1-CD 4.02Å; F56-K92 HydrophobicContact CE2-CD 4Å; F56-K92 HydrophobicContact CZ-CD 3.38Å; L88-K92 WeakPolarHBondContact CB-O 3.07Å; L88-K92 PolarHBondContact N-O 3.46Å; N90-K92 VanDerWaalsContact C-N 3.26Å; N90-K92 PolarHBondContact O-N 3.24Å; N90-K92 WeakPolarHBondContact OD1-CB 3.32Å; N90-K92 PolarHBondContact OD1-N 3.47Å | ||
| 93 | E | 97.9 | Very high | 96.9 | Very high | 112 Ų | 112 | 49.7 Ų | 49.7 | 52% | 0.523 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 140.2 | 174.5 | -59.6 | -176.9 | 178.8 | 0 | 0 | 110.4 | L66 H85 V86 R87 | L66-E93 HydrophobicContact CD1-CG 4.1Å; H85-E93 IonicContact CE1-OE2 3.32Å; H85-E93 PolarHBondContact CE1-OE2 2.87Å; H85-E93 VanDerWaalsContact CE1-OE2 3.32Å; V86-E93 VanDerWaalsContact O-CA 3.32Å; V86-E93 WeakPolarHBondContact O-CA 3.18Å; R87-E93 HydrophobicContact CG-CG 4.49Å |
| 94 | A | 97.6 | Very high | 96.8 | Very high | 24 Ų | 24 | 55.9 Ų | 55.9 | 20% | 0.198 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 162.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V86 L88 L126 | V86-A94 PolarHBondContact N-O 3.43Å; V86-A94 PolarHBondContact O-N 2.97Å; L88-A94 HydrophobicContact CD1-CB 4.15Å; L88-A94 HydrophobicContact CG-CB 4.47Å; A94-L126 HydrophobicContact CB-CD1 3.78Å |
| 95 | V | 98.1 | Very high | 96.7 | Very high | 21 Ų | 21 | 56.3 Ų | 56.3 | 13% | 0.127 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.1 | 173.6 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | M69 C83 A84 V124 | M69-V95 HydrophobicContact CE-CB 4.04Å; M69-V95 HydrophobicContact CE-CG1 3.41Å; M69-V95 VanDerWaalsContact CE-CG1 3.41Å; M69-V95 HydrophobicContact CE-CG2 3.51Å; C83-V95 HydrophobicContact CB-CG1 4.2Å; A84-V95 WeakPolarHBondContact O-CA 3.45Å; V95-V124 HydrophobicContact CB-CG2 4.43Å; V95-V124 HydrophobicContact CG1-CG2 3.89Å |
| 96 | V | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 144.4 | -179.7 | -55.3 | 0 | 0 | 0 | 0 | 110.7 | C83 A84 V86 V113 L126 V128 | C83-V96 CarbonylContact C-O 3.59Å; C83-V96 VanDerWaalsContact CA-O 3.23Å; C83-V96 WeakPolarHBondContact CA-O 3.46Å; C83-V96 WeakPolarHBondContact CB-O 3.26Å; A84-V96 HydrophobicContact CB-CG2 3.9Å; A84-V96 PolarHBondContact N-O 2.87Å; A84-V96 PolarHBondContact O-N 3.07Å; V86-V96 HydrophobicContact CG1-CG1 4.31Å; V86-V96 HydrophobicContact CG1-CG2 3.58Å; V86-V96 HydrophobicContact CG2-CG1 3.49Å; V86-V96 VanDerWaalsContact CG2-CG1 3.49Å; V86-V96 HydrophobicContact CG2-CG2 4.32Å; V96-V113 HydrophobicContact CB-CG1 4.47Å; V96-V113 HydrophobicContact CG1-CG1 3.69Å; V96-V113 HydrophobicContact CG1-CG2 4.05Å; V96-L126 WeakPolarHBondContact CA-O 3.4Å; V96-L126 HydrophobicContact CB-CB 4.38Å; V96-L126 HydrophobicContact CG1-CB 3.76Å; V96-L126 HydrophobicContact CG1-CD1 4.25Å; V96-V128 HydrophobicContact CB-CG2 4.02Å; V96-V128 HydrophobicContact CG2-CG2 3.48Å; V96-V128 VanDerWaalsContact CG2-CG2 3.48Å |
| 97 | F | 98.3 | Very high | 96.7 | Very high | 38 Ų | 38 | 64 Ų | 64 | 17% | 0.167 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 138.6 | 171.5 | 176.2 | -114.9 | 0 | 0 | 0 | 110.6 | R81 K82 P99 T118 L121 V124 L126 T127 V128 | R81-F97 HydrophobicContact CB-CE2 4.3Å; K82-F97 WeakPolarHBondContact O-CD2 3.42Å; F97-P99 HydrophobicContact CD1-CB 4.46Å; F97-P99 HydrophobicContact CE1-CB 4.05Å; F97-T118 WeakPolarHBondContact CB-OG1 3.49Å; F97-T118 HydrophobicContact CD1-CG2 4.42Å; F97-T118 HydrophobicContact CD2-CG2 4.28Å; F97-T118 HydrophobicContact CG-CG2 4.2Å; F97-T118 WeakPolarHBondContact CG-OG1 3.36Å; F97-L121 HydrophobicContact CD2-CD1 4.18Å; F97-V124 HydrophobicContact CB-CG1 3.83Å; F97-L126 PolarHBondContact N-O 2.82Å; F97-T127 HydrophobicContact CD1-CG2 4.13Å; F97-T127 WeakPolarHBondContact O-CA 3.39Å; F97-V128 PolarHBondContact O-N 2.98Å |
| 98 | I | 97.7 | Very high | 96.6 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | trans | -101.8 | 110.4 | 175.6 | -59.3 | 164.7 | 0 | 0 | 0 | 107.7 | K82 A84 H103 L105 V128 R130 | K82-I98 HydrophobicContact CB-CB 4.47Å; K82-I98 PolarHBondContact O-N 2.92Å; K82-I98 VanDerWaalsContact O-N 3.11Å; A84-I98 HydrophobicContact CB-CD1 4.19Å; I98-H103 HydrophobicContact CG2-CB 4.06Å; I98-L105 HydrophobicContact CD1-CD1 3.93Å; I98-L105 HydrophobicContact CG1-CD1 4.23Å; I98-L105 HydrophobicContact CG2-CD1 4.42Å; I98-V128 HydrophobicContact CG1-CG2 4.18Å; I98-R130 VanDerWaalsContact CG2-NH2 3.32Å | ||
| 99 | P | 96.9 | Very high | 96.6 | Very high | 34 Ų | 34 | 65.9 Ų | 65.9 | 22% | 0.221 | 37% | 0.37 | C | S | . | . | trans | -78.3 | 159.5 | -176.8 | 32.9 | -35.1 | 0 | 0 | 0 | 111.9 | F97 T127 V128 R130 | F97-P99 HydrophobicContact CD1-CB 4.46Å; F97-P99 HydrophobicContact CE1-CB 4.05Å; P99-T127 HydrophobicContact CB-CG2 4.24Å; P99-T127 HydrophobicContact CG-CG2 3.88Å; P99-V128 WeakPolarHBondContact CD-O 3.18Å; P99-V128 WeakPolarHBondContact CG-O 3.24Å; P99-R130 HydrophobicContact CG-CG 4.05Å; P99-R130 VanDerWaalsContact O-CZ 3.24Å; P99-R130 PolarHBondContact O-NE 3.19Å; P99-R130 PolarHBondContact O-NH2 2.89Å | ||
| 100 | G | 94.4 | Very high | 96.7 | Very high | 59 Ų | 59 | 64 Ų | 64 | 61% | 0.608 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 79.3 | -172.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 101 | E | 93.4 | Very high | 96.8 | Very high | 154 Ų | 154 | 61.2 Ų | 61.2 | 72% | 0.72 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -100 | 131.3 | -176.4 | -63.4 | -179.6 | -170.9 | 0 | 0 | 111.3 | ||
| 102 | G | 92.3 | Very high | 96.9 | Very high | 53 Ų | 53 | 60.9 Ų | 60.9 | 55% | 0.546 | 33% | 0.329 | S | S | . | . | trans | 66.4 | 149.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | R130 | G102-R130 PolarHBondContact O-NH1 3.42Å; G102-R130 PolarHBondContact O-NH2 3.17Å | ||
| 103 | H | 95.8 | Very high | 97 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 28% | 0.282 | 31% | 0.305 | S | S | . | . | trans | -153.3 | 151.2 | 168.3 | 59.9 | -86.9 | 0 | 0 | 0 | 109.4 | I98 L105 | I98-H103 HydrophobicContact CG2-CB 4.06Å; H103-L105 HydrophobicContact CB-CD1 4.43Å; H103-L105 HydrophobicContact CB-CG 4.32Å | ||
| 104 | N | 95.1 | Very high | 97 | Very high | 129 Ų | 129 | 53.7 Ų | 53.7 | 69% | 0.69 | 30% | 0.297 | S | S | * | . | trans | -107.8 | 29.3 | 173.6 | -169.6 | 30.6 | 0 | 0 | 0 | 111.3 | ||||
| 105 | L | 96.9 | Very high | 96.9 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | trans | -77.8 | 136.3 | 179.3 | -63.7 | 169.8 | 0 | 0 | 0 | 109.7 | I65 T68 I98 H103 N109 V111 D134 C135 | I65-L105 HydrophobicContact CD1-CB 3.71Å; I65-L105 HydrophobicContact CD1-CD1 3.94Å; I65-L105 HydrophobicContact CD1-CD2 4.08Å; I65-L105 HydrophobicContact CD1-CG 4.12Å; T68-L105 WeakPolarHBondContact CG2-O 3.41Å; I98-L105 HydrophobicContact CD1-CD1 3.93Å; I98-L105 HydrophobicContact CG1-CD1 4.23Å; I98-L105 HydrophobicContact CG2-CD1 4.42Å; H103-L105 HydrophobicContact CB-CD1 4.43Å; H103-L105 HydrophobicContact CB-CG 4.32Å; L105-N109 HydrophobicContact CD2-CB 4.37Å; L105-V111 HydrophobicContact CD1-CG1 4.15Å; L105-V111 HydrophobicContact CD2-CG1 3.69Å; L105-D134 HydrophobicContact CD2-CB 4.44Å; L105-C135 HydrophobicContact CD2-CB 4.13Å | ||
| 106 | Q | 97.5 | Very high | 96.8 | Very high | 116 Ų | 116 | 54.9 Ų | 54.9 | 54% | 0.542 | 32% | 0.316 | S | S | . | . | trans | -124 | 177 | 178.3 | -59.4 | -179.4 | 16.7 | 0 | 0 | 109.6 | I65 N109 | I65-Q106 WeakPolarHBondContact CG2-O 3.47Å; Q106-N109 PolarHBondContact N-ND2 3.32Å; Q106-N109 WeakPolarHBondContact O-CB 3.42Å; Q106-N109 PolarHBondContact O-N 2.92Å | ||
| 107 | E | 97.8 | Very high | 96.8 | Very high | 102 Ų | 102 | 62 Ų | 62 | 48% | 0.477 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 147.5 | 171.5 | -57.3 | -175.1 | 172.1 | 0 | 0 | 109.8 | L66 N109 | L66-E107 WeakPolarHBondContact O-CG 3.32Å; E107-N109 PolarHBondContact O-N 2.81Å; E107-N109 VanDerWaalsContact O-N 3.11Å |
| 108 | H | 97.3 | Very high | 96.7 | Very high | 149 Ų | 149 | 60.7 Ų | 60.7 | 69% | 0.69 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | -7.6 | -175.1 | -47.2 | 137.3 | 0 | 0 | 0 | 117 | I65 | I65-H108 PolarHBondContact O-N 2.83Š|
| 109 | N | 98.1 | Very high | 96.6 | Very high | 36 Ų | 36 | 67.5 Ų | 67.5 | 19% | 0.193 | 37% | 0.374 | C | S | . | . | trans | -61.8 | 145 | 172.1 | -73.2 | 30.5 | 0 | 0 | 0 | 111.2 | I65 L105 Q106 E107 D134 | I65-N109 HydrophobicContact CD1-CB 4.24Å; I65-N109 PolarHBondContact N-O 3.09Å; L105-N109 HydrophobicContact CD2-CB 4.37Å; Q106-N109 PolarHBondContact N-ND2 3.32Å; Q106-N109 WeakPolarHBondContact O-CB 3.42Å; Q106-N109 PolarHBondContact O-N 2.92Å; E107-N109 PolarHBondContact O-N 2.81Å; E107-N109 VanDerWaalsContact O-N 3.11Å; N109-D134 WeakPolarHBondContact CA-OD2 3.3Å; N109-D134 HydrophobicContact CB-CB 3.99Å | ||
| 110 | V | 98.4 | Very high | 96.5 | Very high | 33 Ų | 33 | 67.2 Ų | 67.2 | 20% | 0.2 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 132.5 | 178.2 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | K62 A63 V64 Y133 D134 | K62-V110 HydrophobicContact CD-CG1 4.22Å; K62-V110 HydrophobicContact CG-CG1 3.93Å; A63-V110 WeakPolarHBondContact O-CA 3.46Å; V64-V110 HydrophobicContact CG2-CG2 4.45Å; V110-Y133 HydrophobicContact CG1-CD1 4.01Å; V110-Y133 HydrophobicContact CG1-CD2 4.25Å; V110-Y133 HydrophobicContact CG1-CE1 4.42Å; V110-Y133 HydrophobicContact CG1-CG 3.93Å; V110-Y133 WeakPolarHBondContact O-CB 3.25Å; V110-D134 PolarHBondContact N-OD2 2.87Å; V110-D134 PolarHBondContact O-N 3.02Å; V110-D134 VanDerWaalsContact O-N 3.15Å |
| 111 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 155.4 | 179.1 | -64.3 | 0 | 0 | 0 | 0 | 112 | A63 I65 L105 V113 V128 C135 | A63-V111 HydrophobicContact CB-CG2 4.23Å; A63-V111 PolarHBondContact N-O 3.16Å; A63-V111 PolarHBondContact O-N 2.94Å; I65-V111 HydrophobicContact CD1-CG1 3.85Å; I65-V111 HydrophobicContact CD1-CG2 4.47Å; I65-V111 HydrophobicContact CG1-CG1 4.34Å; I65-V111 HydrophobicContact CG1-CG2 4.15Å; L105-V111 HydrophobicContact CD1-CG1 4.15Å; L105-V111 HydrophobicContact CD2-CG1 3.69Å; V111-V113 HydrophobicContact CG2-CG2 4.09Å; V111-V128 HydrophobicContact CB-CG1 4.1Å; V111-V128 HydrophobicContact CG1-CG1 4.33Å; V111-V128 HydrophobicContact CG2-CG2 4.49Å; V111-C135 HydrophobicContact CG1-CB 4.25Å |
| 112 | L | 98.4 | Very high | 96.7 | Very high | 32 Ų | 32 | 61.8 Ų | 61.8 | 17% | 0.168 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 130.6 | 170.6 | -170.7 | 67.4 | 0 | 0 | 0 | 108.3 | Q60 V129 K132 Y133 | Q60-L112 HydrophobicContact CB-CD1 3.77Å; Q60-L112 HydrophobicContact CB-CD2 4.28Å; Q60-L112 HydrophobicContact CB-CG 4.01Å; Q60-L112 HydrophobicContact CG-CD2 4.27Å; Q60-L112 HydrophobicContact CG-CG 4.39Å; L112-V129 HydrophobicContact CB-CB 4.2Å; L112-V129 HydrophobicContact CB-CG2 4.42Å; L112-V129 HydrophobicContact CD2-CB 4.28Å; L112-V129 HydrophobicContact CD2-CG1 4.49Å; L112-V129 HydrophobicContact CD2-CG2 4.16Å; L112-V129 HydrophobicContact CG-CB 4.42Å; L112-V129 HydrophobicContact CG-CG2 4.18Å; L112-V129 PolarHBondContact O-N 3.38Å; L112-K132 HydrophobicContact CB-CB 4.31Å; L112-K132 HydrophobicContact CB-CG 4.01Å; L112-K132 HydrophobicContact CD2-CG 3.99Å; L112-Y133 HydrophobicContact CB-CD2 3.76Å; L112-Y133 HydrophobicContact CB-CE2 3.66Å; L112-Y133 HydrophobicContact CD1-CE2 3.97Å; L112-Y133 HydrophobicContact CG-CE2 4.35Å |
| 113 | V | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 137.1 | -176.9 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | Q60 L61 A63 L88 V96 V111 L126 | Q60-V113 CarbonylContact C-O 3.54Å; Q60-V113 WeakPolarHBondContact CA-O 3.49Å; Q60-V113 WeakPolarHBondContact CB-O 3.22Å; L61-V113 PolarHBondContact N-O 3.47Å; L61-V113 PolarHBondContact O-N 3.14Å; A63-V113 HydrophobicContact CB-CG2 3.76Å; L88-V113 HydrophobicContact CD2-CG2 4.49Å; V96-V113 HydrophobicContact CB-CG1 4.47Å; V96-V113 HydrophobicContact CG1-CG1 3.69Å; V96-V113 HydrophobicContact CG1-CG2 4.05Å; V111-V113 HydrophobicContact CG2-CG2 4.09Å; V113-L126 HydrophobicContact CG1-CB 3.63Å; V113-L126 HydrophobicContact CG1-CD1 4.12Å; V113-L126 HydrophobicContact CG1-CD2 4.17Å; V113-L126 HydrophobicContact CG1-CG 4.18Å |
| 114 | Q | 97.9 | Very high | 97 | Very high | 75 Ų | 75 | 59.6 Ų | 59.6 | 35% | 0.35 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 162.4 | 175.4 | 68 | -178.5 | 12.6 | 0 | 0 | 111.6 | Q60 G116 L126 T127 V129 | Q60-Q114 HydrophobicContact CG-CB 3.96Å; Q114-G116 PolarHBondContact O-N 2.88Å; Q114-L126 WeakPolarHBondContact O-CA 3.07Å; Q114-T127 PolarHBondContact N-O 2.81Å; Q114-T127 PolarHBondContact O-N 3.48Å; Q114-V129 HydrophobicContact CB-CG2 3.97Å; Q114-V129 HydrophobicContact CG-CG2 3.86Å |
| 115 | G | 96.9 | Very high | 97 | Very high | 43 Ų | 43 | 59.6 Ų | 59.6 | 44% | 0.443 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 131.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 116 | G | 95.6 | Very high | 97.1 | Very high | 26 Ų | 26 | 59.4 Ų | 59.4 | 27% | 0.268 | 32% | 0.324 | S | S | . | . | trans | 177.4 | 108.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q114 T118 K125 L126 T127 | Q114-G116 PolarHBondContact O-N 2.88Å; G116-T118 PolarHBondContact O-N 3.29Å; G116-K125 CarbonylContact C-O 3.49Å; G116-K125 VanDerWaalsContact C-O 3.26Å; G116-K125 PolarHBondContact N-O 3.25Å; G116-K125 CarbonylContact O-C 3.03Å; G116-K125 VanDerWaalsContact O-O 3.05Å; G116-L126 PolarHBondContact O-N 3.21Å; G116-T127 PolarHBondContact O-OG1 2.89Å | ||
| 117 | K | 96.9 | Very high | 97.1 | Very high | 150 Ų | 150 | 54.8 Ų | 54.8 | 65% | 0.652 | 30% | 0.303 | S | S | * | . | trans | -76 | 119.4 | 177.9 | -177.4 | -173.6 | 176.8 | -175.1 | 0 | 109.5 | Q119 | K117-Q119 PolarHBondContact O-N 2.78Å; K117-Q119 PolarHBondContact O-OE1 2.87Å | ||
| 118 | T | 97.1 | Very high | 97.1 | Very high | 11 Ų | 11 | 50 Ų | 50 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | trans | -76.7 | 112.2 | 167.7 | -50 | 0 | 0 | 0 | 0 | 108.4 | F97 G116 D120 L121 V124 | F97-T118 WeakPolarHBondContact CB-OG1 3.49Å; F97-T118 HydrophobicContact CD1-CG2 4.42Å; F97-T118 HydrophobicContact CD2-CG2 4.28Å; F97-T118 HydrophobicContact CG-CG2 4.2Å; F97-T118 WeakPolarHBondContact CG-OG1 3.36Å; G116-T118 PolarHBondContact O-N 3.29Å; T118-D120 PolarHBondContact O-N 3.26Å; T118-L121 HydrophobicContact CG2-CB 4.18Å; T118-L121 HydrophobicContact CG2-CD1 3.98Å; T118-L121 HydrophobicContact CG2-CG 4.03Å; T118-L121 PolarHBondContact O-N 3.39Å; T118-V124 PolarHBondContact N-O 3.32Å; T118-V124 VanDerWaalsContact N-O 3.07Å | ||
| 119 | Q | 94.9 | Very high | 97.2 | Very high | 145 Ų | 145 | 44.4 Ų | 44.4 | 68% | 0.678 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -33.2 | -171.2 | -70.9 | 76.3 | 4.8 | 0 | 0 | 112.8 | K74 K117 | K74-Q119 WeakPolarHBondContact CE-O 3.43Å; K117-Q119 PolarHBondContact O-N 2.78Å; K117-Q119 PolarHBondContact O-OE1 2.87Å |
| 120 | D | 94.8 | Very high | 97.1 | Very high | 27 Ų | 27 | 45 Ų | 45 | 14% | 0.144 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -27.5 | -177.2 | -66.9 | -26.9 | 0 | 0 | 0 | 114.1 | P73 K74 N77 R81 T118 | P73-D120 HydrophobicContact CB-CB 3.75Å; K74-D120 WeakPolarHBondContact CG-O 3.47Å; K74-D120 PolarHBondContact N-O 3.39Å; N77-D120 PolarHBondContact ND2-OD1 3.23Å; R81-D120 IonicContact CZ-OD2 3.42Å; R81-D120 IonicContact NE-OD2 3.46Å; R81-D120 PolarHBondContact NE-OD2 2.93Å; R81-D120 IonicContact NH2-OD2 2.69Å; R81-D120 PolarHBondContact NH2-OD2 3.24Å; T118-D120 PolarHBondContact O-N 3.26Å |
| 121 | L | 97 | Very high | 97 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -103.7 | 113.2 | -171.4 | -67 | 176 | 0 | 0 | 0 | 110 | R71 R81 C83 F97 T118 G123 V124 | R71-L121 HydrophobicContact CB-CD2 3.85Å; R81-L121 HydrophobicContact CB-CD1 3.82Å; R81-L121 HydrophobicContact CB-CD2 4.1Å; R81-L121 HydrophobicContact CB-CG 4.29Å; R81-L121 HydrophobicContact CG-CD1 4.24Å; R81-L121 HydrophobicContact CG-CD2 4.08Å; R81-L121 HydrophobicContact CG-CG 4.24Å; C83-L121 WeakPolarHBondContact SG-CD1 3.02Å; F97-L121 HydrophobicContact CD2-CD1 4.18Å; T118-L121 HydrophobicContact CG2-CB 4.18Å; T118-L121 HydrophobicContact CG2-CD1 3.98Å; T118-L121 HydrophobicContact CG2-CG 4.03Å; T118-L121 PolarHBondContact O-N 3.39Å; L121-G123 PolarHBondContact O-N 3.34Å; L121-V124 HydrophobicContact CB-CB 3.81Å; L121-V124 HydrophobicContact CB-CG2 3.66Å; L121-V124 HydrophobicContact CD1-CB 4.33Å; L121-V124 HydrophobicContact CD1-CG1 4.47Å; L121-V124 HydrophobicContact CD1-CG2 4.05Å; L121-V124 HydrophobicContact CG-CG2 4.49Å; L121-V124 PolarHBondContact O-N 2.96Å |
| 122 | P | 96.2 | Very high | 96.9 | Very high | 95 Ų | 95 | 50 Ų | 50 | 62% | 0.617 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 134.9 | 175.4 | 27.1 | -33 | 0 | 0 | 0 | 110.1 | V124 | P122-V124 VanDerWaalsContact C-N 3.26Å; P122-V124 PolarHBondContact O-N 3.32Å |
| 123 | G | 95.2 | Very high | 96.9 | Very high | 67 Ų | 67 | 53.6 Ų | 53.6 | 69% | 0.691 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -9.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L121 K125 | L121-G123 PolarHBondContact O-N 3.34Å; G123-K125 PolarHBondContact O-N 3.4Å |
| 124 | V | 97.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | trans | -90 | 97.7 | 179.2 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | V95 F97 T118 L121 P122 | V95-V124 HydrophobicContact CB-CG2 4.43Å; V95-V124 HydrophobicContact CG1-CG2 3.89Å; F97-V124 HydrophobicContact CB-CG1 3.83Å; T118-V124 PolarHBondContact N-O 3.32Å; T118-V124 VanDerWaalsContact N-O 3.07Å; L121-V124 HydrophobicContact CB-CB 3.81Å; L121-V124 HydrophobicContact CB-CG2 3.66Å; L121-V124 HydrophobicContact CD1-CB 4.33Å; L121-V124 HydrophobicContact CD1-CG1 4.47Å; L121-V124 HydrophobicContact CD1-CG2 4.05Å; L121-V124 HydrophobicContact CG-CG2 4.49Å; L121-V124 PolarHBondContact O-N 2.96Å; P122-V124 VanDerWaalsContact C-N 3.26Å; P122-V124 PolarHBondContact O-N 3.32Å | ||
| 125 | K | 97.1 | Very high | 96.8 | Very high | 130 Ų | 130 | 54 Ų | 54 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | trans | -105.1 | -0.6 | -175.1 | -61.8 | -179.2 | -177.2 | 176.6 | 0 | 113.9 | A54 G116 G123 | A54-K125 HydrophobicContact CB-CB 3.65Å; A54-K125 HydrophobicContact CB-CD 4.28Å; G116-K125 CarbonylContact C-O 3.49Å; G116-K125 VanDerWaalsContact C-O 3.26Å; G116-K125 PolarHBondContact N-O 3.25Å; G116-K125 CarbonylContact O-C 3.03Å; G116-K125 VanDerWaalsContact O-O 3.05Å; G123-K125 PolarHBondContact O-N 3.4Å | ||
| 126 | L | 98 | Very high | 96.8 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 140.9 | -171.9 | -68.3 | 179.9 | 0 | 0 | 0 | 109.7 | A54 T55 L88 A94 V96 F97 V113 Q114 G116 | A54-L126 HydrophobicContact CB-CD2 3.72Å; A54-L126 HydrophobicContact CB-CG 4.1Å; T55-L126 HydrophobicContact CG2-CD2 3.66Å; L88-L126 HydrophobicContact CD1-CD1 4.08Å; L88-L126 HydrophobicContact CD2-CD1 4.25Å; A94-L126 HydrophobicContact CB-CD1 3.78Å; V96-L126 WeakPolarHBondContact CA-O 3.4Å; V96-L126 HydrophobicContact CB-CB 4.38Å; V96-L126 HydrophobicContact CG1-CB 3.76Å; V96-L126 HydrophobicContact CG1-CD1 4.25Å; F97-L126 PolarHBondContact N-O 2.82Å; V113-L126 HydrophobicContact CG1-CB 3.63Å; V113-L126 HydrophobicContact CG1-CD1 4.12Å; V113-L126 HydrophobicContact CG1-CD2 4.17Å; V113-L126 HydrophobicContact CG1-CG 4.18Å; Q114-L126 WeakPolarHBondContact O-CA 3.07Å; G116-L126 PolarHBondContact O-N 3.21Å |
| 127 | T | 98.1 | Very high | 96.8 | Very high | 19 Ų | 19 | 60.8 Ų | 60.8 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138.7 | -179 | -60.2 | 0 | 0 | 0 | 0 | 109.8 | F97 P99 Q114 G116 | F97-T127 HydrophobicContact CD1-CG2 4.13Å; F97-T127 WeakPolarHBondContact O-CA 3.39Å; P99-T127 HydrophobicContact CB-CG2 4.24Å; P99-T127 HydrophobicContact CG-CG2 3.88Å; Q114-T127 PolarHBondContact N-O 2.81Å; Q114-T127 PolarHBondContact O-N 3.48Å; G116-T127 PolarHBondContact O-OG1 2.89Å |
| 128 | V | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 136.9 | 175.9 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | V96 F97 I98 P99 V111 C135 | V96-V128 HydrophobicContact CB-CG2 4.02Å; V96-V128 HydrophobicContact CG2-CG2 3.48Å; V96-V128 VanDerWaalsContact CG2-CG2 3.48Å; F97-V128 PolarHBondContact O-N 2.98Å; I98-V128 HydrophobicContact CG1-CG2 4.18Å; P99-V128 WeakPolarHBondContact CD-O 3.18Å; P99-V128 WeakPolarHBondContact CG-O 3.24Å; V111-V128 HydrophobicContact CB-CG1 4.1Å; V111-V128 HydrophobicContact CG1-CG1 4.33Å; V111-V128 HydrophobicContact CG2-CG2 4.49Å; V128-C135 HydrophobicContact CG1-CB 4.17Å |
| 129 | V | 97.8 | Very high | 96.4 | Very high | 32 Ų | 32 | 62.4 Ų | 62.4 | 19% | 0.194 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -82 | 128 | 171.8 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | L112 Q114 | L112-V129 HydrophobicContact CB-CB 4.2Å; L112-V129 HydrophobicContact CB-CG2 4.42Å; L112-V129 HydrophobicContact CD2-CB 4.28Å; L112-V129 HydrophobicContact CD2-CG1 4.49Å; L112-V129 HydrophobicContact CD2-CG2 4.16Å; L112-V129 HydrophobicContact CG-CB 4.42Å; L112-V129 HydrophobicContact CG-CG2 4.18Å; L112-V129 PolarHBondContact O-N 3.38Å; Q114-V129 HydrophobicContact CB-CG2 3.97Å; Q114-V129 HydrophobicContact CG-CG2 3.86Å |
| 130 | R | 97 | Very high | 96.2 | Very high | 49 Ų | 49 | 64.9 Ų | 64.9 | 19% | 0.185 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 149.6 | 175.1 | -72.9 | -77.8 | 179.8 | 168 | 13.3 | 110.8 | I98 P99 G102 C135 A136 | I98-R130 VanDerWaalsContact CG2-NH2 3.32Å; P99-R130 HydrophobicContact CG-CG 4.05Å; P99-R130 VanDerWaalsContact O-CZ 3.24Å; P99-R130 PolarHBondContact O-NE 3.19Å; P99-R130 PolarHBondContact O-NH2 2.89Å; G102-R130 PolarHBondContact O-NH1 3.42Å; G102-R130 PolarHBondContact O-NH2 3.17Å; R130-C135 VanDerWaalsContact CD-SG 3.56Å; R130-A136 WeakPolarHBondContact CD-O 3.18Å |
| 131 | G | 95.9 | Very high | 95.8 | Very high | 32 Ų | 32 | 72 Ų | 72 | 33% | 0.33 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 18 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | C135 H137 | G131-C135 CarbonylContact C-O 3.56Å; G131-C135 VanDerWaalsContact CA-O 3.3Å; G131-C135 WeakPolarHBondContact CA-O 3.35Å; G131-C135 PolarHBondContact N-O 2.94Å; G131-H137 VanDerWaalsContact CA-CE1 3.43Å; G131-H137 WeakPolarHBondContact CA-CE1 3.37Å; G131-H137 WeakPolarHBondContact CA-NE2 3.45Å |
| 132 | K | 97 | Very high | 95.1 | Very high | 106 Ų | 106 | 82 Ų | 82 | 46% | 0.461 | 43% | 0.43 | S | S | . | . | B | Isolated β-bridge | trans | -139.7 | 140.6 | -179.2 | -169.8 | 66 | 176.7 | -176.9 | 0 | 111.9 | L112 C135 | L112-K132 HydrophobicContact CB-CB 4.31Å; L112-K132 HydrophobicContact CB-CG 4.01Å; L112-K132 HydrophobicContact CD2-CG 3.99Å; K132-C135 PolarHBondContact N-O 3.5Å; K132-C135 PolarHBondContact O-N 2.9Å |
| 133 | Y | 97.5 | Very high | 93.7 | Very high | 107 Ų | 107 | 90.1 Ų | 90.1 | 42% | 0.42 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | -133.1 | -170.9 | -55.3 | -69.2 | 0 | 0 | 0 | 110.1 | K62 V110 L112 C135 | K62-Y133 HydrophobicContact CG-CE2 4.27Å; V110-Y133 HydrophobicContact CG1-CD1 4.01Å; V110-Y133 HydrophobicContact CG1-CD2 4.25Å; V110-Y133 HydrophobicContact CG1-CE1 4.42Å; V110-Y133 HydrophobicContact CG1-CG 3.93Å; V110-Y133 WeakPolarHBondContact O-CB 3.25Å; L112-Y133 HydrophobicContact CB-CD2 3.76Å; L112-Y133 HydrophobicContact CB-CE2 3.66Å; L112-Y133 HydrophobicContact CD1-CE2 3.97Å; L112-Y133 HydrophobicContact CG-CE2 4.35Å; Y133-C135 PolarHBondContact O-N 2.76Å |
| 134 | D | 97.5 | Very high | 93.7 | Very high | 82 Ų | 82 | 91.3 Ų | 91.3 | 44% | 0.439 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -2.4 | -175.1 | -53.3 | -31.8 | 0 | 0 | 0 | 112.7 | L105 N109 V110 A136 | L105-D134 HydrophobicContact CD2-CB 4.44Å; N109-D134 WeakPolarHBondContact CA-OD2 3.3Å; N109-D134 HydrophobicContact CB-CB 3.99Å; V110-D134 PolarHBondContact N-OD2 2.87Å; V110-D134 PolarHBondContact O-N 3.02Å; V110-D134 VanDerWaalsContact O-N 3.15Å; D134-A136 PolarHBondContact O-N 2.85Å |
| 135 | C | 96.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 96 Ų | 96 | 1% | 0.007 | 47% | 0.471 | C | S | . | . | B | Isolated β-bridge | trans | -89.7 | 92.2 | 178 | -162.1 | 0 | 0 | 0 | 0 | 110.5 | L105 V111 V128 R130 G131 K132 Y133 | L105-C135 HydrophobicContact CD2-CB 4.13Å; V111-C135 HydrophobicContact CG1-CB 4.25Å; V128-C135 HydrophobicContact CG1-CB 4.17Å; R130-C135 VanDerWaalsContact CD-SG 3.56Å; G131-C135 CarbonylContact C-O 3.56Å; G131-C135 VanDerWaalsContact CA-O 3.3Å; G131-C135 WeakPolarHBondContact CA-O 3.35Å; G131-C135 PolarHBondContact N-O 2.94Å; K132-C135 PolarHBondContact N-O 3.5Å; K132-C135 PolarHBondContact O-N 2.9Å; Y133-C135 PolarHBondContact O-N 2.76Å |
| 136 | A | 95.9 | Very high | 93.3 | Very high | 68 Ų | 68 | 94.1 Ų | 94.1 | 56% | 0.562 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 161 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R130 D134 | R130-A136 WeakPolarHBondContact CD-O 3.18Å; D134-A136 PolarHBondContact O-N 2.85Å |
| 137 | H | 95.9 | Very high | 93 | Very high | 143 Ų | 143 | 99.4 Ų | 99.4 | 66% | 0.662 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 152.7 | 170.5 | -66.3 | 98 | 0 | 0 | 0 | 111.2 | G131 V139 | G131-H137 VanDerWaalsContact CA-CE1 3.43Å; G131-H137 WeakPolarHBondContact CA-CE1 3.37Å; G131-H137 WeakPolarHBondContact CA-NE2 3.45Å; H137-V139 PolarHBondContact O-N 2.88Å |
| 138 | V | 95.1 | Very high | 92.7 | Very high | 67 Ų | 67 | 104.4 Ų | 104.4 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -72 | 126.2 | 175.3 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | ||
| 139 | V | 92.1 | Very high | 92.3 | Very high | 128 Ų | 128 | 111.2 Ų | 111.2 | 78% | 0.776 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 123.4 | 176.3 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | H137 K141 | H137-V139 PolarHBondContact O-N 2.88Å; V139-K141 PolarHBondContact O-N 2.82Å |
| 140 | K | 89.4 | Confident | 91.9 | Very high | 198 Ų | 198 | 116.9 Ų | 116.9 | 86% | 0.861 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 124.8 | 171.6 | -70.4 | -175.6 | 178 | -178.7 | 0 | 108.9 | ||
| 141 | K | 86.8 | Confident | 91.5 | Very high | 177 Ų | 177 | 122.1 Ų | 122.1 | 77% | 0.77 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 132.7 | 168.1 | -62.7 | -177.6 | -179 | 179.7 | 0 | 108 | V139 Q143 | V139-K141 PolarHBondContact O-N 2.82Å; K141-Q143 PolarHBondContact O-N 3.14Å |
| 142 | K | 81.6 | Confident | 91.2 | Very high | 213 Ų | 213 | 129.6 Ų | 129.6 | 93% | 0.926 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 120.1 | 163.5 | -73.2 | -176.8 | 177.8 | -178.5 | 0 | 106.1 | ||
| 143 | Q | 68.6 | Low | 90.6 | Very high | 265 Ų | 265 | 131.7 Ų | 131.7 | 100% | 1.238 | 64% | 0.642 | S | S | * | * | trans | -74.1 | 0 | 172.6 | -78.3 | -179.2 | -60.3 | 0 | 0 | 110 | K141 | K141-Q143 PolarHBondContact O-N 3.14Š|
Retrieved 143 of 143 residues in 125.7 ms
(Link to these results)