| 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 | 33.4 | Very low | 34.5 | Very low | 236 Ų | 236 | 131.6 Ų | 131.6 | 100% | 1.163 | 79% | 0.79 | S | S | * | * | 0 | 127.8 | 0 | -59 | -71.2 | -176.8 | 0 | 0 | 106.8 | |||||
| 2 | P | 44.2 | Very low | 34.6 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | cis | -103.4 | 158.2 | -14.2 | 4.9 | 20.8 | 0 | 0 | 0 | 110.7 | ||||
| 3 | S | 33.2 | Very low | 34.9 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | 68.3 | 142.3 | 73.7 | -33.7 | 0 | 0 | 0 | 0 | 112 | |||||
| 4 | L | 33.2 | Very low | 35.2 | Very low | 146 Ų | 146 | 127.6 Ų | 127.6 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | cis | -179.4 | 162.3 | 3.8 | -118.4 | 163.5 | 0 | 0 | 0 | 104.1 | ||||
| 5 | L | 34.7 | Very low | 35.7 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | 79 | 86.5 | 150.6 | -65.1 | 152.8 | 0 | 0 | 0 | 119.3 | ||||
| 6 | T | 31.5 | Very low | 35.4 | Very low | 127 Ų | 127 | 128 Ų | 128 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | 14.4 | 119.2 | 105.5 | -40.8 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 7 | A | 30.7 | Very low | 35.2 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | -122.1 | 115.3 | 144.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 8 | A | 32.3 | Very low | 35.3 | Very low | 80 Ų | 80 | 131.2 Ų | 131.2 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | trans | -101.6 | -177.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 9 | P | 51.5 | Low | 35.2 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | cis | -127.4 | 165 | -43.5 | 28.8 | -11.5 | 0 | 0 | 0 | 110.4 | ||||
| 10 | C | 25.6 | Very low | 35.9 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -154.5 | 115.1 | 147.6 | -140.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 11 | F | 29.5 | Very low | 36.2 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | trans | 81.9 | 98.4 | 146.2 | -96.4 | -109.1 | 0 | 0 | 0 | 120.9 | ||||
| 12 | Q | 35.2 | Very low | 36.6 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | 55 | 99.5 | 128.5 | -94.1 | 91.9 | -20.2 | 0 | 0 | 118.5 | |||||
| 13 | S | 38.8 | Very low | 36 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | 44.9 | 102 | 120.1 | 63 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 14 | A | 38.4 | Very low | 35.9 | Very low | 93 Ų | 93 | 128 Ų | 128 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -151.6 | 92 | 134.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | C16 | A14-C16 PolarHBondContact O-N 3.35Š| ||
| 15 | T | 43.8 | Very low | 35.7 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -57.9 | 117.4 | 150.9 | 45 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 16 | C | 29.9 | Very low | 35.7 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -133 | 103 | 161 | -90.4 | 0 | 0 | 0 | 0 | 109.6 | A14 | A14-C16 PolarHBondContact O-N 3.35Š| ||
| 17 | S | 33 | Very low | 36 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -54.6 | 151.6 | 169.9 | -56 | 0 | 0 | 0 | 0 | 112.6 | S19 | S17-S19 PolarHBondContact O-N 3.29Š| ||
| 18 | F | 35.8 | Very low | 36.1 | Very low | 198 Ų | 198 | 135.8 Ų | 135.8 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | -47.7 | 124.2 | 165.7 | -138.5 | -102.8 | 0 | 0 | 0 | 111.7 | ||||
| 19 | S | 34.6 | Very low | 36.6 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -151.1 | 126.4 | 144.1 | -166.6 | 0 | 0 | 0 | 0 | 109.7 | S17 | S17-S19 PolarHBondContact O-N 3.29Š| ||
| 20 | S | 48.4 | Very low | 36.1 | Very low | 91 Ų | 91 | 142.5 Ų | 142.5 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | -62.1 | 151.3 | 179.8 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 21 | N | 42.2 | Very low | 36.4 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 89.2 | 107.4 | 167.4 | -86 | -32.8 | 0 | 0 | 0 | 118.4 | ||
| 22 | Q | 42.6 | Very low | 36.7 | Very low | 184 Ų | 184 | 144.9 Ų | 144.9 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | 74.8 | 126.3 | 164.4 | -59.4 | -154.6 | -11.4 | 0 | 0 | 117.2 | ||||
| 23 | V | 31.3 | Very low | 37 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | -153.7 | 126.5 | 117.9 | 176.8 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 24 | S | 30.9 | Very low | 37.1 | Very low | 92 Ų | 92 | 145.6 Ų | 145.6 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | trans | 12.8 | 129.7 | 144.3 | -48.9 | 0 | 0 | 0 | 0 | 120.3 | Y26 | S24-Y26 PolarHBondContact O-N 3.04Š| ||
| 25 | L | 29.9 | Very low | 37.5 | Very low | 183 Ų | 183 | 148 Ų | 148 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | trans | -68.6 | 113.9 | 155.4 | -66.5 | 172.3 | 0 | 0 | 0 | 108.6 | ||||
| 26 | Y | 33.3 | Very low | 37.5 | Very low | 226 Ų | 226 | 144.6 Ų | 144.6 | 89% | 0.886 | 80% | 0.797 | S | S | * | * | trans | -101.6 | 140.3 | 162.9 | -118.9 | -93.5 | 0 | 0 | 0 | 108.8 | S24 | S24-Y26 PolarHBondContact O-N 3.04Š| ||
| 27 | E | 37.7 | Very low | 38.3 | Very low | 182 Ų | 182 | 150.3 Ų | 150.3 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -99.8 | 144.7 | -169.1 | -151.3 | 164 | 127.3 | 0 | 0 | 112.3 | ||||
| 28 | A | 34.6 | Very low | 38.8 | Very low | 90 Ų | 90 | 153.8 Ų | 153.8 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | 73.8 | 157.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 29 | P | 42.5 | Very low | 38.9 | Very low | 118 Ų | 118 | 150 Ų | 150 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | cis | -134 | 158.7 | 9.8 | 37.1 | -17 | 0 | 0 | 0 | 117.5 | ||||
| 30 | R | 39.7 | Very low | 39 | Very low | 223 Ų | 223 | 150.4 Ų | 150.4 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | 16.5 | 120.4 | 149.6 | -52.9 | -166.4 | 165.7 | 177.4 | -3 | 119.9 | ||||
| 31 | F | 32.6 | Very low | 38.9 | Very low | 179 Ų | 179 | 153.1 Ų | 153.1 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 174 | 137.2 | 97.5 | -108.7 | -89.2 | 0 | 0 | 0 | 112.6 | |||||
| 32 | L | 35.5 | Very low | 39 | Very low | 150 Ų | 150 | 151.3 Ų | 151.3 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | 74.8 | 101.2 | 152.8 | -114.9 | 74.8 | 0 | 0 | 0 | 122.3 | ||||
| 33 | S | 42.3 | Very low | 39.2 | Very low | 106 Ų | 106 | 153.8 Ų | 153.8 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | 65.4 | 132.8 | 129.7 | -154.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 34 | L | 40.8 | Very low | 40 | Very low | 155 Ų | 155 | 151.4 Ų | 151.4 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | 73.9 | 84.3 | 171.3 | -99.7 | 71.2 | 0 | 0 | 0 | 117.3 | A36 | L34-A36 VanDerWaalsContact C-N 3.28Å; L34-A36 PolarHBondContact O-N 3.45Å | ||
| 35 | T | 45.9 | Very low | 40.8 | Very low | 143 Ų | 143 | 151 Ų | 151 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -68.3 | 83.4 | 158.4 | 45.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 36 | A | 44.2 | Very low | 41.4 | Very low | 65 Ų | 65 | 150.4 Ų | 150.4 | 54% | 0.537 | 80% | 0.801 | S | S | . | * | trans | -85.8 | 104.6 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | L34 F38 | L34-A36 VanDerWaalsContact C-N 3.28Å; L34-A36 PolarHBondContact O-N 3.45Å; A36-F38 HydrophobicContact CB-CD2 4.12Å; A36-F38 HydrophobicContact CB-CE2 3.82Å; A36-F38 PolarHBondContact O-N 3.23Å; A36-F38 VanDerWaalsContact O-N 3.15Å | ||
| 37 | R | 46.7 | Very low | 42.2 | Very low | 245 Ų | 245 | 148.7 Ų | 148.7 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -76.7 | 98.1 | 168.5 | -74 | -164.6 | 175.5 | -153.2 | 0.1 | 108.3 | C39 | R37-C39 PolarHBondContact O-N 3.46Š| ||
| 38 | F | 43.5 | Very low | 42.8 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -74.5 | 114.5 | 166.5 | -79 | -88.8 | 0 | 0 | 0 | 109 | A36 | A36-F38 HydrophobicContact CB-CD2 4.12Å; A36-F38 HydrophobicContact CB-CE2 3.82Å; A36-F38 PolarHBondContact O-N 3.23Å; A36-F38 VanDerWaalsContact O-N 3.15Å | ||
| 39 | C | 37.5 | Very low | 43.6 | Very low | 118 Ų | 118 | 148.6 Ų | 148.6 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -88.6 | 109.7 | 169.2 | -150.3 | 0 | 0 | 0 | 0 | 107.9 | R37 L41 | R37-C39 PolarHBondContact O-N 3.46Å; C39-L41 PolarHBondContact O-N 3.16Å | ||
| 40 | C | 36.8 | Very low | 44.4 | Very low | 127 Ų | 127 | 146.7 Ų | 146.7 | 86% | 0.858 | 77% | 0.771 | S | S | * | * | trans | -68.3 | 116 | 170.6 | -84.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 41 | L | 46.9 | Very low | 45.3 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | -95.6 | 142.4 | 164 | -119.3 | 75.2 | 0 | 0 | 0 | 109.9 | C39 R43 | C39-L41 PolarHBondContact O-N 3.16Å; L41-R43 PolarHBondContact O-N 3.46Å; L41-R43 VanDerWaalsContact O-N 3.13Å | ||
| 42 | P | 43.9 | Very low | 46.3 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -89.6 | 78.8 | -177.6 | 35.7 | -29.2 | 0 | 0 | 0 | 109.2 | ||
| 43 | R | 46.7 | Very low | 47.4 | Very low | 237 Ų | 237 | 134.9 Ų | 134.9 | 89% | 0.894 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 174.8 | 110.3 | 159.5 | -97.2 | 150.2 | -169.1 | -157.8 | 4 | 108.1 | L41 S45 | L41-R43 PolarHBondContact O-N 3.46Å; L41-R43 VanDerWaalsContact O-N 3.13Å; R43-S45 PolarHBondContact O-N 3.01Å |
| 44 | G | 49 | Very low | 48.2 | Very low | 86 Ų | 86 | 134.2 Ų | 134.2 | 89% | 0.887 | 73% | 0.728 | S | S | * | * | trans | -56 | 101 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 45 | S | 46.4 | Very low | 49 | Very low | 83 Ų | 83 | 132.5 Ų | 132.5 | 58% | 0.58 | 72% | 0.719 | S | S | * | * | trans | -150.6 | 120.8 | 154.8 | -87.9 | 0 | 0 | 0 | 0 | 109.9 | R43 Y47 | R43-S45 PolarHBondContact O-N 3.01Å; S45-Y47 PolarHBondContact O-N 2.97Å | ||
| 46 | L | 42.8 | Very low | 49.5 | Very low | 171 Ų | 171 | 131.3 Ų | 131.3 | 90% | 0.895 | 71% | 0.706 | S | S | * | * | trans | -68.2 | 118.9 | 166.5 | -103.3 | 90.3 | 0 | 0 | 0 | 108.3 | ||||
| 47 | Y | 49.8 | Very low | 50.2 | Low | 191 Ų | 191 | 134.8 Ų | 134.8 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | trans | -110.6 | 120.2 | 161.9 | -69.7 | -84.3 | 0 | 0 | 0 | 108.5 | S45 L49 | S45-Y47 PolarHBondContact O-N 2.97Å; Y47-L49 PolarHBondContact O-N 2.9Å | ||
| 48 | I | 51.4 | Low | 50.7 | Low | 156 Ų | 156 | 129.7 Ų | 129.7 | 80% | 0.8 | 70% | 0.695 | S | S | * | * | trans | -73.3 | 105.7 | 168.3 | -63 | 162.4 | 0 | 0 | 0 | 106 | T50 | I48-T50 PolarHBondContact O-N 2.84Å; I48-T50 VanDerWaalsContact O-N 3.09Å | ||
| 49 | L | 51.3 | Low | 51.3 | Low | 114 Ų | 114 | 125.4 Ų | 125.4 | 60% | 0.597 | 68% | 0.679 | S | S | * | * | trans | -70.5 | 105.1 | 172.9 | -86.8 | 90.1 | 0 | 0 | 0 | 108.6 | Y47 A53 L54 | Y47-L49 PolarHBondContact O-N 2.9Å; L49-A53 HydrophobicContact CD2-CB 4.32Å; L49-A53 HydrophobicContact CG-CB 4.4Å; L49-L54 HydrophobicContact CD2-CG 4.44Å | ||
| 50 | T | 59.2 | Low | 52.2 | Low | 77 Ų | 77 | 124.4 Ų | 124.4 | 47% | 0.472 | 67% | 0.67 | S | S | . | * | trans | -62.2 | 150.1 | 164.9 | 55.8 | 0 | 0 | 0 | 0 | 109.3 | I48 Q52 A53 | I48-T50 PolarHBondContact O-N 2.84Å; I48-T50 VanDerWaalsContact O-N 3.09Å; T50-Q52 PolarHBondContact O-N 3.46Å; T50-A53 PolarHBondContact O-N 2.93Å | ||
| 51 | P | 58.5 | Low | 53.1 | Low | 114 Ų | 114 | 124.5 Ų | 124.5 | 74% | 0.74 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -57.6 | -16.6 | -179.3 | 20.2 | -31.7 | 0 | 0 | 0 | 114 | ||
| 52 | Q | 54.3 | Low | 53.2 | Low | 156 Ų | 156 | 125.3 Ų | 125.3 | 73% | 0.729 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.5 | -29.5 | 171.8 | -88.8 | 173.8 | -26.2 | 0 | 0 | 114.2 | T50 L55 L56 | T50-Q52 PolarHBondContact O-N 3.46Å; Q52-L55 PolarHBondContact O-N 3.47Å; Q52-L56 PolarHBondContact O-N 2.08Å |
| 53 | A | 58.6 | Low | 53.5 | Low | 35 Ų | 35 | 126.1 Ų | 126.1 | 29% | 0.289 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -76 | -29.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | L49 T50 L55 F57 | L49-A53 HydrophobicContact CD2-CB 4.32Å; L49-A53 HydrophobicContact CG-CB 4.4Å; T50-A53 PolarHBondContact O-N 2.93Å; A53-L55 VanDerWaalsContact C-N 3.34Å; A53-F57 PolarHBondContact O-N 2.89Å |
| 54 | L | 57.7 | Low | 53.6 | Low | 92 Ų | 92 | 118.9 Ų | 118.9 | 48% | 0.482 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.5 | -34.9 | 171.7 | -89.1 | 163.1 | 0 | 0 | 0 | 111.8 | L49 L56 F57 F58 | L49-L54 HydrophobicContact CD2-CG 4.44Å; L54-L56 PolarHBondContact O-N 3.32Å; L54-F57 PolarHBondContact O-N 2.81Å; L54-F58 HydrophobicContact CD2-CE2 4.38Å; L54-F58 WeakPolarHBondContact O-CD2 3.18Å; L54-F58 PolarHBondContact O-N 3.33Å |
| 55 | L | 57.1 | Low | 53.7 | Low | 119 Ų | 119 | 123.8 Ų | 123.8 | 62% | 0.623 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.7 | -37.4 | 178.6 | -117.1 | 159 | 0 | 0 | 0 | 112.2 | Q52 A53 F58 L59 | Q52-L55 PolarHBondContact O-N 3.47Å; A53-L55 VanDerWaalsContact C-N 3.34Å; L55-F58 PolarHBondContact O-N 3.03Å; L55-L59 VanDerWaalsContact O-CB 3.3Å; L55-L59 WeakPolarHBondContact O-CB 3.43Å; L55-L59 PolarHBondContact O-N 2.79Å |
| 56 | L | 58.2 | Low | 54 | Low | 117 Ų | 117 | 124.1 Ų | 124.1 | 61% | 0.613 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -71.3 | -32.1 | 174.4 | -66.6 | 178.2 | 0 | 0 | 0 | 112.7 | Q52 L54 L59 T60 | Q52-L56 PolarHBondContact O-N 2.08Å; L54-L56 PolarHBondContact O-N 3.32Å; L56-L59 PolarHBondContact O-N 3.23Å; L56-T60 WeakPolarHBondContact O-CG2 3.46Å; L56-T60 PolarHBondContact O-N 2.98Å; L56-T60 VanDerWaalsContact O-N 3.08Å; L56-T60 PolarHBondContact O-OG1 3.04Å; L56-T60 VanDerWaalsContact O-OG1 3.08Å |
| 57 | F | 58.7 | Low | 54.5 | Low | 138 Ų | 138 | 121 Ų | 121 | 61% | 0.605 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.2 | -38 | 174.3 | -129.8 | -85.9 | 0 | 0 | 0 | 112.2 | A53 L54 T60 H61 | A53-F57 PolarHBondContact O-N 2.89Å; L54-F57 PolarHBondContact O-N 2.81Å; F57-T60 PolarHBondContact O-OG1 2.83Å; F57-H61 PolarHBondContact O-N 3.42Å |
| 58 | F | 56.8 | Low | 54.4 | Low | 139 Ų | 139 | 119 Ų | 119 | 61% | 0.61 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.4 | -37 | 173 | -87.8 | -80.4 | 0 | 0 | 0 | 111.8 | L54 L55 H61 F62 | L54-F58 HydrophobicContact CD2-CE2 4.38Å; L54-F58 WeakPolarHBondContact O-CD2 3.18Å; L54-F58 PolarHBondContact O-N 3.33Å; L55-F58 PolarHBondContact O-N 3.03Å; F58-H61 PolarHBondContact O-N 3.41Å; F58-F62 VanDerWaalsContact O-CB 3.26Å; F58-F62 WeakPolarHBondContact O-CB 3.29Å; F58-F62 PolarHBondContact O-N 3.14Å |
| 59 | L | 55.2 | Low | 54.5 | Low | 97 Ų | 97 | 117.8 Ų | 117.8 | 51% | 0.508 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -68.3 | -35.7 | 179.4 | -153.8 | 74.4 | 0 | 0 | 0 | 112.6 | L55 L56 L63 | L55-L59 VanDerWaalsContact O-CB 3.3Å; L55-L59 WeakPolarHBondContact O-CB 3.43Å; L55-L59 PolarHBondContact O-N 2.79Å; L56-L59 PolarHBondContact O-N 3.23Å; L59-L63 HydrophobicContact CG-CD1 4.38Å; L59-L63 PolarHBondContact O-N 2.92Å |
| 60 | T | 56.4 | Low | 54.5 | Low | 98 Ų | 98 | 115.5 Ų | 115.5 | 60% | 0.601 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.8 | -28.8 | 173.9 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | L56 F57 | L56-T60 WeakPolarHBondContact O-CG2 3.46Å; L56-T60 PolarHBondContact O-N 2.98Å; L56-T60 VanDerWaalsContact O-N 3.08Å; L56-T60 PolarHBondContact O-OG1 3.04Å; L56-T60 VanDerWaalsContact O-OG1 3.08Å; F57-T60 PolarHBondContact O-OG1 2.83Å |
| 61 | H | 55.9 | Low | 53.9 | Low | 129 Ų | 129 | 115.7 Ų | 115.7 | 60% | 0.597 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -81.4 | -27.4 | 173.2 | -96.4 | -80.1 | 0 | 0 | 0 | 114.2 | F57 F58 | F57-H61 PolarHBondContact O-N 3.42Å; F58-H61 PolarHBondContact O-N 3.41Å |
| 62 | F | 49.9 | Very low | 53.4 | Low | 165 Ų | 165 | 118.6 Ų | 118.6 | 72% | 0.724 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -85.9 | -26.9 | -178.2 | -137.4 | -99.4 | 0 | 0 | 0 | 113 | F58 A64 | F58-F62 VanDerWaalsContact O-CB 3.26Å; F58-F62 WeakPolarHBondContact O-CB 3.29Å; F58-F62 PolarHBondContact O-N 3.14Å; F62-A64 VanDerWaalsContact C-N 3.28Å; F62-A64 PolarHBondContact O-N 3.33Å |
| 63 | L | 49.2 | Very low | 53.3 | Low | 134 Ų | 134 | 119 Ų | 119 | 70% | 0.702 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 6.5 | 171.7 | -68.7 | 174.4 | 0 | 0 | 0 | 114.1 | L59 | L59-L63 HydrophobicContact CG-CD1 4.38Å; L59-L63 PolarHBondContact O-N 2.92Å |
| 64 | A | 50.3 | Low | 53 | Low | 86 Ų | 86 | 123.9 Ų | 123.9 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 8 | 169 | 0 | 0 | 0 | 0 | 0 | 113 | F62 | F62-A64 VanDerWaalsContact C-N 3.28Å; F62-A64 PolarHBondContact O-N 3.33Å |
| 65 | K | 50.2 | Low | 52.5 | Low | 189 Ų | 189 | 127.4 Ų | 127.4 | 82% | 0.822 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -130.3 | 41.2 | -173.3 | -151.7 | 159.1 | -174.2 | 174.9 | 0 | 114 | ||
| 66 | S | 51.6 | Low | 52 | Low | 90 Ų | 90 | 128.3 Ų | 128.3 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -151.1 | 60.6 | 173.9 | 66.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 67 | S | 53.6 | Low | 51.8 | Low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -176 | 80.2 | 155.3 | 42.6 | 0 | 0 | 0 | 0 | 109.8 | ||
| 68 | D | 48.1 | Very low | 51.2 | Low | 147 Ų | 147 | 133.6 Ų | 133.6 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | trans | -161.3 | 46.4 | 147.5 | -95.3 | -48.5 | 0 | 0 | 0 | 109.4 | G70 | D68-G70 PolarHBondContact O-N 3.05Š| ||
| 69 | S | 54.7 | Low | 51.3 | Low | 132 Ų | 132 | 132.5 Ų | 132.5 | 92% | 0.923 | 73% | 0.729 | S | S | * | * | trans | -81.5 | 74.8 | 154.5 | 51.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 70 | G | 50.8 | Low | 51.4 | Low | 66 Ų | 66 | 138.2 Ų | 138.2 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | trans | -176.1 | 30.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D68 | D68-G70 PolarHBondContact O-N 3.05Š| ||
| 71 | S | 47.2 | Very low | 51.6 | Low | 81 Ų | 81 | 136.7 Ų | 136.7 | 57% | 0.566 | 75% | 0.754 | S | S | * | * | trans | -135.9 | 52.7 | 172.3 | 82.8 | 0 | 0 | 0 | 0 | 112.7 | L73 | S71-L73 VanDerWaalsContact C-N 3.29Š| ||
| 72 | L | 47.9 | Very low | 52.2 | Low | 174 Ų | 174 | 134.8 Ų | 134.8 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -88.1 | 13 | 164.7 | -88.5 | 177.9 | 0 | 0 | 0 | 113.4 | ||
| 73 | L | 51.8 | Low | 53.4 | Low | 165 Ų | 165 | 128.4 Ų | 128.4 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -142.9 | 16.5 | 178.9 | -78.3 | -171.2 | 0 | 0 | 0 | 117.5 | S71 | S71-L73 VanDerWaalsContact C-N 3.29Š|
| 74 | L | 50.9 | Low | 54.9 | Low | 138 Ų | 138 | 125.9 Ų | 125.9 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | trans | -153.4 | 78.1 | 173.9 | -151.2 | 78.6 | 0 | 0 | 0 | 114.5 | ||||
| 75 | Q | 48.7 | Very low | 56.6 | Low | 165 Ų | 165 | 129 Ų | 129 | 77% | 0.771 | 73% | 0.734 | S | S | * | * | trans | -137.2 | 38.2 | 153.1 | -139.3 | 82.6 | 49.1 | 0 | 0 | 112.3 | R77 | Q75-R77 PolarHBondContact O-N 2.82Š| ||
| 76 | D | 46.4 | Very low | 58.4 | Low | 139 Ų | 139 | 120.1 Ų | 120.1 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | trans | -79 | 53.6 | 158.6 | -99.3 | -46.8 | 0 | 0 | 0 | 110.8 | ||||
| 77 | R | 53.2 | Low | 59.7 | Low | 214 Ų | 214 | 117.9 Ų | 117.9 | 81% | 0.808 | 69% | 0.687 | S | S | * | * | trans | -132.4 | 77.3 | 163 | -70.6 | -160.7 | 177.1 | 166.1 | 2.8 | 108 | Q75 P79 | Q75-R77 PolarHBondContact O-N 2.82Å; R77-P79 VanDerWaalsContact O-CD 3.27Å; R77-P79 WeakPolarHBondContact O-CD 3.44Å | ||
| 78 | M | 46.6 | Very low | 61.1 | Low | 152 Ų | 152 | 116.4 Ų | 116.4 | 75% | 0.749 | 68% | 0.676 | S | S | * | * | trans | -61.4 | 114 | 168.6 | -17.9 | 176.5 | -177.4 | 0 | 0 | 107.3 | F80 | M78-F80 PolarHBondContact O-N 3.4Š| ||
| 79 | P | 59.7 | Low | 62.7 | Low | 115 Ų | 115 | 111.2 Ų | 111.2 | 75% | 0.747 | 65% | 0.651 | S | S | * | * | trans | -62.3 | 124.3 | 166.3 | 26.3 | -30 | 0 | 0 | 0 | 106.7 | R77 G81 | R77-P79 VanDerWaalsContact O-CD 3.27Å; R77-P79 WeakPolarHBondContact O-CD 3.44Å; P79-G81 PolarHBondContact O-N 3.22Å | ||
| 80 | F | 57.1 | Low | 64 | Low | 218 Ų | 218 | 112.3 Ų | 112.3 | 96% | 0.956 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -27.7 | 107.2 | -177.1 | -74 | -86.7 | 0 | 0 | 0 | 112.7 | M78 | M78-F80 PolarHBondContact O-N 3.4Š|
| 81 | G | 59.4 | Low | 65.6 | Low | 66 Ų | 66 | 115.9 Ų | 115.9 | 68% | 0.68 | 64% | 0.638 | S | S | * | * | trans | -59.1 | 133.1 | -162.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P79 G83 | P79-G81 PolarHBondContact O-N 3.22Å; G81-G83 PolarHBondContact O-N 3.02Å | ||
| 82 | G | 69.1 | Low | 67.5 | Low | 88 Ų | 88 | 114.8 Ų | 114.8 | 91% | 0.907 | 63% | 0.628 | S | S | * | * | trans | -67.1 | 81.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 83 | G | 74.6 | Confident | 69.3 | Low | 31 Ų | 31 | 106.7 Ų | 106.7 | 32% | 0.32 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -77.3 | 147.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | G81 | G81-G83 PolarHBondContact O-N 3.02Š|
| 84 | N | 81.7 | Confident | 70.9 | Confident | 81 Ų | 81 | 106.6 Ų | 106.6 | 43% | 0.433 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 141.8 | 173.3 | -62.1 | -46.2 | 0 | 0 | 0 | 109.8 | T92 V93 S105 | N84-T92 WeakPolarHBondContact O-CA 3.4Å; N84-V93 PolarHBondContact O-N 3.1Å; N84-S105 WeakPolarHBondContact CB-OG 3.43Å |
| 85 | K | 85.8 | Confident | 72.1 | Confident | 152 Ų | 152 | 108.2 Ų | 108.2 | 66% | 0.661 | 58% | 0.577 | S | S | * | * | B | Isolated β-bridge | trans | -91.1 | 137.9 | -178 | -60.6 | 176.6 | -167.1 | -77.3 | 0 | 110 | G87 S105 | K85-G87 PolarHBondContact O-N 3.45Å; K85-S105 PolarHBondContact O-OG 3.11Å |
| 86 | C | 86.8 | Confident | 73.7 | Confident | 2 Ų | 2 | 105.2 Ų | 105.2 | 1% | 0.014 | 58% | 0.58 | C | S | . | * | B | Isolated β-bridge | trans | -66.6 | 127.6 | 176.3 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | C88 C89 Q90 K91 V93 S105 H107 | C86-C88 PolarHBondContact O-N 2.93Å; C86-C88 PolarHBondContact SG-N 3.35Å; C86-C89 VanDerWaalsContact CB-SG 3.54Å; C86-C89 VanDerWaalsContact SG-SG 3.63Å; C86-Q90 WeakPolarHBondContact O-CA 3.37Å; C86-Q90 PolarHBondContact O-N 3.46Å; C86-K91 WeakPolarHBondContact CB-O 3.3Å; C86-K91 PolarHBondContact N-O 3.4Å; C86-V93 HydrophobicContact CB-CG2 3.62Å; C86-S105 VanDerWaalsContact CA-O 3.27Å; C86-S105 WeakPolarHBondContact CA-O 3.32Å; C86-H107 VanDerWaalsContact CB-CE1 3.45Å; C86-H107 WeakPolarHBondContact CB-CE1 3.43Å; C86-H107 WeakPolarHBondContact CB-ND1 3.14Å; C86-H107 PolarHBondContact SG-ND1 3.26Å |
| 87 | G | 79.6 | Confident | 75.2 | Confident | 43 Ų | 43 | 103.7 Ų | 103.7 | 44% | 0.443 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.2 | -24.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K85 S105 W106 | K85-G87 PolarHBondContact O-N 3.45Å; G87-S105 PolarHBondContact N-O 2.97Å; G87-W106 VanDerWaalsContact C-CZ3 3.44Å |
| 88 | C | 82.5 | Confident | 76.7 | Confident | 75 Ų | 75 | 95.8 Ų | 95.8 | 51% | 0.507 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -51.7 | -179 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | C86 W106 C110 | C86-C88 PolarHBondContact O-N 2.93Å; C86-C88 PolarHBondContact SG-N 3.35Å; C88-W106 HydrophobicContact CB-CE3 3.73Å; C88-W106 HydrophobicContact CB-CZ3 3.64Å; C88-W106 VanDerWaalsContact N-CZ3 3.25Å; C88-C110 HydrophobicContact CB-CB 3.76Å |
| 89 | C | 82.8 | Confident | 78.6 | Confident | 38 Ų | 38 | 89.8 Ų | 89.8 | 26% | 0.257 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 0.2 | -170.4 | 74.4 | 0 | 0 | 0 | 0 | 114.1 | C86 K91 H107 C110 | C86-C89 VanDerWaalsContact CB-SG 3.54Å; C86-C89 VanDerWaalsContact SG-SG 3.63Å; C89-K91 PolarHBondContact O-N 2.95Å; C89-K91 WeakPolarHBondContact SG-CE 3.44Å; C89-H107 PolarHBondContact SG-CE1 3.15Å; C89-H107 PolarHBondContact SG-ND1 3.09Å; C89-C110 VanDerWaalsContact SG-SG 3.7Å |
| 90 | Q | 81.2 | Confident | 79.8 | Confident | 155 Ų | 155 | 90.6 Ų | 90.6 | 72% | 0.724 | 51% | 0.506 | S | S | * | . | trans | 59.7 | -1.3 | 177.2 | -60.1 | 164.4 | 10.4 | 0 | 0 | 115.6 | C86 | C86-Q90 WeakPolarHBondContact O-CA 3.37Å; C86-Q90 PolarHBondContact O-N 3.46Å | ||
| 91 | K | 85.8 | Confident | 80.9 | Confident | 141 Ų | 141 | 80.8 Ų | 80.8 | 61% | 0.613 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -71.9 | 152.6 | 172 | -69.1 | 177.6 | -77 | -173.2 | 0 | 110.3 | C86 C89 V93 | C86-K91 WeakPolarHBondContact CB-O 3.3Å; C86-K91 PolarHBondContact N-O 3.4Å; C89-K91 PolarHBondContact O-N 2.95Å; C89-K91 WeakPolarHBondContact SG-CE 3.44Å; K91-V93 PolarHBondContact O-N 3.21Å |
| 92 | T | 86.9 | Confident | 81.7 | Confident | 59 Ų | 59 | 84.9 Ų | 84.9 | 36% | 0.362 | 47% | 0.466 | S | S | . | . | B | Isolated β-bridge | trans | -62.2 | 136.4 | 174.5 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | N84 H107 | N84-T92 WeakPolarHBondContact O-CA 3.4Å; T92-H107 PolarHBondContact O-NE2 3.07Å |
| 93 | V | 85.9 | Confident | 82.2 | Confident | 4 Ų | 4 | 84.8 Ų | 84.8 | 2% | 0.024 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -100.6 | 123.7 | 175.2 | -167 | 0 | 0 | 0 | 0 | 106.6 | N84 C86 K91 E98 | N84-V93 PolarHBondContact O-N 3.1Å; C86-V93 HydrophobicContact CB-CG2 3.62Å; K91-V93 PolarHBondContact O-N 3.21Å; V93-E98 HydrophobicContact CB-CB 4.37Å; V93-E98 VanDerWaalsContact CG1-CA 3.4Å; V93-E98 HydrophobicContact CG1-CB 3.41Å; V93-E98 VanDerWaalsContact CG1-CB 3.41Å |
| 94 | Y | 83.4 | Confident | 82.7 | Confident | 163 Ų | 163 | 87.9 Ų | 87.9 | 64% | 0.639 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -83.2 | 149.8 | 172.6 | -64.7 | -79.4 | 0 | 0 | 0 | 109.3 | A96 E97 E98 | Y94-A96 PolarHBondContact O-N 2.86Å; Y94-E97 PolarHBondContact O-N 3.41Å; Y94-E98 PolarHBondContact O-N 3.19Å; Y94-E98 VanDerWaalsContact O-N 3.17Å |
| 95 | F | 77.2 | Confident | 82.9 | Confident | 172 Ų | 172 | 84.4 Ų | 84.4 | 75% | 0.754 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -30.5 | 179.7 | -71.9 | -82.8 | 0 | 0 | 0 | 114.2 | E97 E98 | F95-E97 VanDerWaalsContact C-N 3.34Å; F95-E97 PolarHBondContact O-N 2.91Å; F95-E98 WeakPolarHBondContact CD1-OE1 3.38Å |
| 96 | A | 81.1 | Confident | 83.1 | Confident | 101 Ų | 101 | 78 Ų | 78 | 84% | 0.835 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -24.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y94 | Y94-A96 PolarHBondContact O-N 2.86Š|
| 97 | E | 79.6 | Confident | 83.1 | Confident | 108 Ų | 108 | 78.6 Ų | 78.6 | 51% | 0.505 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 6.8 | -175 | -62.3 | -166.4 | 139.4 | 0 | 0 | 113 | Y94 F95 H107 K108 | Y94-E97 PolarHBondContact O-N 3.41Å; F95-E97 VanDerWaalsContact C-N 3.34Å; F95-E97 PolarHBondContact O-N 2.91Å; E97-H107 WeakPolarHBondContact O-CA 3.42Å; E97-K108 PolarHBondContact O-N 2.88Å |
| 98 | E | 84.5 | Confident | 83.4 | Confident | 48 Ų | 48 | 83.9 Ų | 83.9 | 22% | 0.224 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 133.2 | -176.1 | 81 | 177.9 | 157.2 | 0 | 0 | 112.9 | V93 Y94 F95 W106 | V93-E98 HydrophobicContact CB-CB 4.37Å; V93-E98 VanDerWaalsContact CG1-CA 3.4Å; V93-E98 HydrophobicContact CG1-CB 3.41Å; V93-E98 VanDerWaalsContact CG1-CB 3.41Å; Y94-E98 PolarHBondContact O-N 3.19Å; Y94-E98 VanDerWaalsContact O-N 3.17Å; F95-E98 WeakPolarHBondContact CD1-OE1 3.38Å; E98-W106 WeakPolarHBondContact CA-O 3.42Å |
| 99 | V | 86.8 | Confident | 83.4 | Confident | 25 Ų | 25 | 84.2 Ų | 84.2 | 15% | 0.152 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 117 | 167.6 | -177.7 | 0 | 0 | 0 | 0 | 106.2 | W106 K108 F111 | V99-W106 PolarHBondContact N-O 3.21Å; V99-W106 PolarHBondContact O-N 2.8Å; V99-K108 HydrophobicContact CG2-CB 4.27Å; V99-F111 HydrophobicContact CB-CG 4.44Å; V99-F111 HydrophobicContact CG1-CD1 3.98Å; V99-F111 HydrophobicContact CG1-CD2 4.12Å; V99-F111 HydrophobicContact CG1-CE1 4.07Å; V99-F111 HydrophobicContact CG1-CE2 4.2Å; V99-F111 HydrophobicContact CG1-CG 4.01Å; V99-F111 HydrophobicContact CG1-CZ 4.16Å |
| 100 | Q | 84.3 | Confident | 83.5 | Confident | 132 Ų | 132 | 83.4 Ų | 83.4 | 62% | 0.617 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 129.9 | 179 | -65.4 | -176.8 | -24 | 0 | 0 | 109.9 | K104 | Q100-K104 WeakPolarHBondContact CA-O 3.23Å |
| 101 | C | 79.9 | Confident | 83.8 | Confident | 13 Ų | 13 | 76.1 Ų | 76.1 | 9% | 0.088 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 121.1 | 176.3 | -172.5 | 0 | 0 | 0 | 0 | 108.7 | G103 K104 F111 V125 V127 | C101-G103 PolarHBondContact O-N 3Å; C101-G103 VanDerWaalsContact O-N 3.15Å; C101-K104 PolarHBondContact N-O 3.14Å; C101-K104 PolarHBondContact O-N 3.21Å; C101-F111 HydrophobicContact CB-CE2 3.82Å; C101-F111 HydrophobicContact CB-CZ 4.35Å; C101-V125 VanDerWaalsContact SG-CG1 3.57Å; C101-V127 WeakPolarHBondContact SG-CG2 3.4Å |
| 102 | E | 76.9 | Confident | 83.9 | Confident | 152 Ų | 152 | 72.2 Ų | 72.2 | 71% | 0.71 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 41.3 | 176.5 | -150.5 | 163.4 | 138.6 | 0 | 0 | 113.9 | K104 V127 | E102-K104 VanDerWaalsContact C-N 3.31Å; E102-K104 PolarHBondContact O-N 3.02Å; E102-V127 HydrophobicContact CB-CG2 4.31Å; E102-V127 VanDerWaalsContact OE2-CB 3.29Å; E102-V127 WeakPolarHBondContact OE2-CB 3.2Å |
| 103 | G | 79.3 | Confident | 83.9 | Confident | 86 Ų | 86 | 69.5 Ų | 69.5 | 89% | 0.887 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 2.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | C101 | C101-G103 PolarHBondContact O-N 3Å; C101-G103 VanDerWaalsContact O-N 3.15Å |
| 104 | K | 84.3 | Confident | 83.8 | Confident | 95 Ų | 95 | 74.8 Ų | 74.8 | 41% | 0.413 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 140.6 | 173.8 | -59.6 | -176 | -175.4 | -165.8 | 0 | 110.8 | Q100 C101 E102 W106 D130 | Q100-K104 WeakPolarHBondContact CA-O 3.23Å; C101-K104 PolarHBondContact N-O 3.14Å; C101-K104 PolarHBondContact O-N 3.21Å; E102-K104 VanDerWaalsContact C-N 3.31Å; E102-K104 PolarHBondContact O-N 3.02Å; K104-W106 HydrophobicContact CB-CZ2 4.43Å; K104-W106 HydrophobicContact CD-CZ2 4.46Å; K104-W106 VanDerWaalsContact O-CD1 3.29Å; K104-W106 PolarHBondContact O-NE1 3.04Å; K104-D130 IonicContact NZ-OD1 2.61Å; K104-D130 PolarHBondContact NZ-OD1 3.07Å |
| 105 | S | 87.3 | Confident | 83.8 | Confident | 8 Ų | 8 | 68.9 Ų | 68.9 | 6% | 0.056 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 141.2 | 172.7 | 60.6 | 0 | 0 | 0 | 0 | 110.8 | N84 K85 C86 G87 | N84-S105 WeakPolarHBondContact CB-OG 3.43Å; K85-S105 PolarHBondContact O-OG 3.11Å; C86-S105 VanDerWaalsContact CA-O 3.27Å; C86-S105 WeakPolarHBondContact CA-O 3.32Å; G87-S105 PolarHBondContact N-O 2.97Å |
| 106 | W | 88.8 | Confident | 84.1 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 151.5 | 176.6 | -54.2 | 80.4 | 0 | 0 | 0 | 109.2 | G87 C88 E98 V99 K104 F111 I132 | G87-W106 VanDerWaalsContact C-CZ3 3.44Å; C88-W106 HydrophobicContact CB-CE3 3.73Å; C88-W106 HydrophobicContact CB-CZ3 3.64Å; C88-W106 VanDerWaalsContact N-CZ3 3.25Å; E98-W106 WeakPolarHBondContact CA-O 3.42Å; V99-W106 PolarHBondContact N-O 3.21Å; V99-W106 PolarHBondContact O-N 2.8Å; K104-W106 HydrophobicContact CB-CZ2 4.43Å; K104-W106 HydrophobicContact CD-CZ2 4.46Å; K104-W106 VanDerWaalsContact O-CD1 3.29Å; K104-W106 PolarHBondContact O-NE1 3.04Å; W106-F111 HydrophobicContact CB-CB 4.44Å; W106-F111 HydrophobicContact CB-CD2 4.06Å; W106-F111 HydrophobicContact CG-CD2 4.05Å; W106-I132 HydrophobicContact CE3-CD1 4.49Å; W106-I132 HydrophobicContact CH2-CG2 4.26Å; W106-I132 HydrophobicContact CZ2-CG2 4.01Å |
| 107 | H | 87.3 | Confident | 84.2 | Confident | 15 Ų | 15 | 66.1 Ų | 66.1 | 7% | 0.069 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 147.6 | 165.7 | -58.2 | 98.7 | 0 | 0 | 0 | 109.8 | C86 C89 T92 E97 S109 C110 F111 | C86-H107 VanDerWaalsContact CB-CE1 3.45Å; C86-H107 WeakPolarHBondContact CB-CE1 3.43Å; C86-H107 WeakPolarHBondContact CB-ND1 3.14Å; C86-H107 PolarHBondContact SG-ND1 3.26Å; C89-H107 PolarHBondContact SG-CE1 3.15Å; C89-H107 PolarHBondContact SG-ND1 3.09Å; T92-H107 PolarHBondContact O-NE2 3.07Å; E97-H107 WeakPolarHBondContact O-CA 3.42Å; H107-S109 PolarHBondContact O-N 2.81Å; H107-S109 VanDerWaalsContact O-N 3.12Å; H107-C110 HydrophobicContact CB-CB 3.92Å; H107-C110 CarbonylContact O-C 3.53Å; H107-C110 WeakPolarHBondContact O-CA 3.47Å; H107-C110 PolarHBondContact O-N 3.09Å; H107-F111 PolarHBondContact O-N 2.95Å |
| 108 | K | 85.2 | Confident | 84.4 | Confident | 154 Ų | 154 | 67.3 Ų | 67.3 | 67% | 0.67 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -34.7 | 171.3 | -168.2 | 174.4 | -176.2 | 179.8 | 0 | 113.5 | E97 V99 N119 | E97-K108 PolarHBondContact O-N 2.88Å; V99-K108 HydrophobicContact CG2-CB 4.27Å; K108-N119 PolarHBondContact O-ND2 2.94Å |
| 109 | S | 83.4 | Confident | 84.5 | Confident | 82 Ų | 82 | 69.8 Ų | 69.8 | 57% | 0.573 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -26.7 | 175.6 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | H107 L112 | H107-S109 PolarHBondContact O-N 2.81Å; H107-S109 VanDerWaalsContact O-N 3.12Å; S109-L112 WeakPolarHBondContact O-CD1 3.47Å; S109-L112 WeakPolarHBondContact O-CG 3.44Å |
| 110 | C | 85.1 | Confident | 84.3 | Confident | 21 Ų | 21 | 69.5 Ų | 69.5 | 14% | 0.142 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -11.3 | 178.4 | -69 | 0 | 0 | 0 | 0 | 113.3 | C88 C89 H107 L112 | C88-C110 HydrophobicContact CB-CB 3.76Å; C89-C110 VanDerWaalsContact SG-SG 3.7Å; H107-C110 HydrophobicContact CB-CB 3.92Å; H107-C110 CarbonylContact O-C 3.53Å; H107-C110 WeakPolarHBondContact O-CA 3.47Å; H107-C110 PolarHBondContact O-N 3.09Å; C110-L112 VanDerWaalsContact C-N 3.26Å; C110-L112 PolarHBondContact O-N 3.14Å |
| 111 | F | 87.5 | Confident | 84 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.009 | 37% | 0.366 | C | S | . | . | trans | -82.1 | 72.7 | -179.2 | -163.5 | -112.8 | 0 | 0 | 0 | 110.9 | V99 C101 W106 H107 L120 V125 I132 | V99-F111 HydrophobicContact CB-CG 4.44Å; V99-F111 HydrophobicContact CG1-CD1 3.98Å; V99-F111 HydrophobicContact CG1-CD2 4.12Å; V99-F111 HydrophobicContact CG1-CE1 4.07Å; V99-F111 HydrophobicContact CG1-CE2 4.2Å; V99-F111 HydrophobicContact CG1-CG 4.01Å; V99-F111 HydrophobicContact CG1-CZ 4.16Å; C101-F111 HydrophobicContact CB-CE2 3.82Å; C101-F111 HydrophobicContact CB-CZ 4.35Å; W106-F111 HydrophobicContact CB-CB 4.44Å; W106-F111 HydrophobicContact CB-CD2 4.06Å; W106-F111 HydrophobicContact CG-CD2 4.05Å; H107-F111 PolarHBondContact O-N 2.95Å; F111-L120 HydrophobicContact CD1-CB 3.58Å; F111-L120 WeakPolarHBondContact CD1-O 3.38Å; F111-L120 HydrophobicContact CE1-CB 3.35Å; F111-L120 WeakPolarHBondContact CE1-O 3.05Å; F111-L120 HydrophobicContact CG-CB 4.5Å; F111-L120 HydrophobicContact CZ-CB 4.14Å; F111-L120 PolarHBondContact O-N 2.81Å; F111-V125 HydrophobicContact CE1-CB 4.33Å; F111-V125 HydrophobicContact CE2-CG2 4.14Å; F111-V125 HydrophobicContact CZ-CB 3.67Å; F111-V125 HydrophobicContact CZ-CG1 3.86Å; F111-V125 HydrophobicContact CZ-CG2 3.69Å; F111-I132 HydrophobicContact CD2-CD1 3.81Å; F111-I132 HydrophobicContact CE2-CD1 4.19Å; F111-I132 HydrophobicContact CG-CD1 4.4Å | ||
| 112 | L | 86.8 | Confident | 83.6 | Confident | 59 Ų | 59 | 72 Ų | 72 | 31% | 0.309 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -121.9 | 142 | -173.3 | -59.4 | 171.3 | 0 | 0 | 0 | 110.7 | S109 C110 M114 K118 N119 I132 | S109-L112 WeakPolarHBondContact O-CD1 3.47Å; S109-L112 WeakPolarHBondContact O-CG 3.44Å; C110-L112 VanDerWaalsContact C-N 3.26Å; C110-L112 PolarHBondContact O-N 3.14Å; L112-M114 PolarHBondContact O-N 3.29Å; L112-K118 WeakPolarHBondContact CA-O 3.1Å; L112-N119 HydrophobicContact CD2-CB 4.2Å; L112-N119 WeakPolarHBondContact CD2-ND2 2.85Å; L112-N119 WeakPolarHBondContact CD2-OD1 3.3Å; L112-I132 WeakPolarHBondContact O-CD1 3.41Å; L112-I132 VanDerWaalsContact O-CG1 3.26Å; L112-I132 WeakPolarHBondContact O-CG1 3.3Å |
| 113 | C | 87.4 | Confident | 83.3 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.014 | 39% | 0.392 | C | S | . | . | trans | -68 | 131 | 173 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | V115 C116 K117 K118 L120 C134 C137 | C113-V115 PolarHBondContact O-N 3.38Å; C113-V115 PolarHBondContact SG-N 2.89Å; C113-V115 VanDerWaalsContact SG-N 3.44Å; C113-C116 WeakPolarHBondContact CB-SG 3.46Å; C113-C116 VanDerWaalsContact SG-SG 3.63Å; C113-K117 WeakPolarHBondContact O-CA 3.39Å; C113-K117 PolarHBondContact O-N 3Å; C113-K118 PolarHBondContact N-O 3.49Å; C113-L120 HydrophobicContact CB-CD1 3.85Å; C113-L120 HydrophobicContact CB-CG 4.24Å; C113-C134 HydrophobicContact CB-CB 4.12Å; C113-C134 PolarHBondContact SG-N 3.46Å; C113-C137 PolarHBondContact SG-SG 2.86Å | ||
| 114 | M | 83.2 | Confident | 82.9 | Confident | 115 Ų | 115 | 70.1 Ų | 70.1 | 57% | 0.567 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -29.3 | 178.6 | -68.8 | -64.9 | -83.6 | 0 | 0 | 113.9 | L112 E131 I132 Y133 | L112-M114 PolarHBondContact O-N 3.29Å; M114-E131 HydrophobicContact CG-CB 4.5Å; M114-I132 PolarHBondContact N-O 2.6Å; M114-Y133 HydrophobicContact CB-CE1 4.4Å |
| 115 | V | 84.1 | Confident | 82.8 | Confident | 39 Ų | 39 | 67.3 Ų | 67.3 | 24% | 0.236 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -50.7 | -176.8 | -176.9 | 0 | 0 | 0 | 0 | 112 | C113 Y133 C137 L164 | C113-V115 PolarHBondContact O-N 3.38Å; C113-V115 PolarHBondContact SG-N 2.89Å; C113-V115 VanDerWaalsContact SG-N 3.44Å; V115-Y133 HydrophobicContact CG2-CD1 3.68Å; V115-Y133 HydrophobicContact CG2-CE1 3.6Å; V115-C137 HydrophobicContact CB-CB 4.17Å; V115-C137 HydrophobicContact CG2-CB 4.35Å; V115-L164 HydrophobicContact CG1-CD1 3.51Å |
| 116 | C | 83.5 | Confident | 82.6 | Confident | 46 Ų | 46 | 68 Ų | 68 | 31% | 0.311 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -3.9 | -172.4 | 67.3 | 0 | 0 | 0 | 0 | 114.4 | C113 K118 C137 | C113-C116 WeakPolarHBondContact CB-SG 3.46Å; C113-C116 VanDerWaalsContact SG-SG 3.63Å; C116-K118 HydrophobicContact CB-CG 4.49Å; C116-K118 PolarHBondContact O-N 3.17Å; C116-K118 WeakPolarHBondContact SG-CE 3.33Å; C116-C137 PolarHBondContact SG-SG 3.46Å |
| 117 | K | 82.9 | Confident | 82.2 | Confident | 168 Ų | 168 | 68.7 Ų | 68.7 | 73% | 0.73 | 37% | 0.374 | S | S | * | . | trans | 52.2 | 20.8 | -178.4 | -50.1 | -170.9 | -167.6 | -160.7 | 0 | 114.8 | C113 | C113-K117 WeakPolarHBondContact O-CA 3.39Å; C113-K117 PolarHBondContact O-N 3Å | ||
| 118 | K | 84.8 | Confident | 81.9 | Confident | 134 Ų | 134 | 71.7 Ų | 71.7 | 58% | 0.583 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -81.3 | 141.9 | 173 | -70.2 | -172.7 | -71.7 | -166.2 | 0 | 109.8 | L112 C113 C116 L120 | L112-K118 WeakPolarHBondContact CA-O 3.1Å; C113-K118 PolarHBondContact N-O 3.49Å; C116-K118 HydrophobicContact CB-CG 4.49Å; C116-K118 PolarHBondContact O-N 3.17Å; C116-K118 WeakPolarHBondContact SG-CE 3.33Å; K118-L120 PolarHBondContact O-N 3.24Å |
| 119 | N | 85.9 | Confident | 81.7 | Confident | 100 Ų | 100 | 67.2 Ų | 67.2 | 54% | 0.535 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -57.3 | 130.2 | 166.5 | -72.9 | 86.2 | 0 | 0 | 0 | 109.6 | K108 L112 | K108-N119 PolarHBondContact O-ND2 2.94Å; L112-N119 HydrophobicContact CD2-CB 4.2Å; L112-N119 WeakPolarHBondContact CD2-ND2 2.85Å; L112-N119 WeakPolarHBondContact CD2-OD1 3.3Å |
| 120 | L | 83.4 | Confident | 81.2 | Confident | 18 Ų | 18 | 69.1 Ų | 69.1 | 9% | 0.094 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -93.8 | 152 | 175 | -73.1 | 157.4 | 0 | 0 | 0 | 108.6 | F111 C113 K118 V125 I132 C134 | F111-L120 HydrophobicContact CD1-CB 3.58Å; F111-L120 WeakPolarHBondContact CD1-O 3.38Å; F111-L120 HydrophobicContact CE1-CB 3.35Å; F111-L120 WeakPolarHBondContact CE1-O 3.05Å; F111-L120 HydrophobicContact CG-CB 4.5Å; F111-L120 HydrophobicContact CZ-CB 4.14Å; F111-L120 PolarHBondContact O-N 2.81Å; C113-L120 HydrophobicContact CB-CD1 3.85Å; C113-L120 HydrophobicContact CB-CG 4.24Å; K118-L120 PolarHBondContact O-N 3.24Å; L120-V125 HydrophobicContact CD1-CG2 4.27Å; L120-I132 HydrophobicContact CD1-CD1 4.32Å; L120-C134 VanDerWaalsContact CD2-CA 3.45Å; L120-C134 HydrophobicContact CD2-CB 3.59Å |
| 121 | D | 77.2 | Confident | 81 | Confident | 115 Ų | 115 | 72.1 Ų | 72.1 | 62% | 0.615 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -99.6 | 145.9 | 168.3 | -56.6 | -64.5 | 0 | 0 | 0 | 108 | T123 T124 | D121-T123 PolarHBondContact O-N 3.03Å; D121-T124 PolarHBondContact O-N 2.9Å |
| 122 | S | 71.4 | Confident | 80.9 | Confident | 82 Ų | 82 | 72.3 Ų | 72.3 | 57% | 0.573 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -21.9 | -176.8 | 48.2 | 0 | 0 | 0 | 0 | 114 | ||
| 123 | T | 71.1 | Confident | 80.9 | Confident | 127 Ų | 127 | 70.3 Ų | 70.3 | 78% | 0.779 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -20.7 | -178.4 | -41.4 | 0 | 0 | 0 | 0 | 114.8 | D121 | D121-T123 PolarHBondContact O-N 3.03Š|
| 124 | T | 69.8 | Low | 80.9 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -122.8 | 16.9 | -169.3 | 64.2 | 0 | 0 | 0 | 0 | 114.9 | D121 | D121-T124 PolarHBondContact O-N 2.9Š|
| 125 | V | 82.7 | Confident | 81 | Confident | 35 Ų | 35 | 73.3 Ų | 73.3 | 21% | 0.212 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 139.4 | 178.5 | 62.8 | 0 | 0 | 0 | 0 | 111.4 | C101 F111 L120 V127 I132 | C101-V125 VanDerWaalsContact SG-CG1 3.57Å; F111-V125 HydrophobicContact CE1-CB 4.33Å; F111-V125 HydrophobicContact CE2-CG2 4.14Å; F111-V125 HydrophobicContact CZ-CB 3.67Å; F111-V125 HydrophobicContact CZ-CG1 3.86Å; F111-V125 HydrophobicContact CZ-CG2 3.69Å; L120-V125 HydrophobicContact CD1-CG2 4.27Å; V125-V127 HydrophobicContact CG2-CG2 4.33Å; V125-I132 HydrophobicContact CG2-CB 4.28Å; V125-I132 HydrophobicContact CG2-CG2 4.46Å |
| 126 | A | 83.1 | Confident | 81.1 | Confident | 22 Ų | 22 | 75.1 Ų | 75.1 | 18% | 0.182 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | Y133 Y138 | A126-Y133 PolarHBondContact N-O 3.11Å; A126-Y133 WeakPolarHBondContact O-CA 3.32Å; A126-Y133 WeakPolarHBondContact O-CB 3.48Å; A126-Y133 PolarHBondContact O-N 3.08Å; A126-Y138 HydrophobicContact CB-CD1 4.27Å; A126-Y138 HydrophobicContact CB-CD2 3.64Å; A126-Y138 HydrophobicContact CB-CE2 4.25Å; A126-Y138 HydrophobicContact CB-CG 3.64Å |
| 127 | V | 81.4 | Confident | 81.1 | Confident | 33 Ų | 33 | 73.3 Ų | 73.3 | 20% | 0.2 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 136.2 | 174.9 | -172.1 | 0 | 0 | 0 | 0 | 107.6 | C101 E102 V125 G129 I132 | C101-V127 WeakPolarHBondContact SG-CG2 3.4Å; E102-V127 HydrophobicContact CB-CG2 4.31Å; E102-V127 VanDerWaalsContact OE2-CB 3.29Å; E102-V127 WeakPolarHBondContact OE2-CB 3.2Å; V125-V127 HydrophobicContact CG2-CG2 4.33Å; V127-G129 VanDerWaalsContact CG1-O 3.23Å; V127-G129 WeakPolarHBondContact CG1-O 3.41Å; V127-I132 HydrophobicContact CG2-CG2 4.28Å |
| 128 | H | 80.8 | Confident | 81.3 | Confident | 79 Ų | 79 | 69.2 Ų | 69.2 | 37% | 0.366 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 99.8 | 170.2 | -163.2 | -81.3 | 0 | 0 | 0 | 107.8 | D130 E131 Y133 Y138 Y142 | H128-D130 PolarHBondContact O-N 2.92Å; H128-E131 PolarHBondContact N-O 3.16Å; H128-Y133 HydrophobicContact CB-CD2 4Å; H128-Y133 HydrophobicContact CB-CE2 3.9Å; H128-Y138 HydrophobicContact CB-CD2 4.41Å; H128-Y138 HydrophobicContact CB-CE2 3.92Å; H128-Y138 AromaticContact CD2-CE2 3.73Å; H128-Y142 HydrophobicContact CB-CD2 4.49Å; H128-Y142 HydrophobicContact CB-CE2 3.91Å; H128-Y142 AromaticContact CD2-CD1 3.97Å; H128-Y142 AromaticContact CE1-CE1 3.6Å; H128-Y142 AromaticContact CG-CE1 3.93Å; H128-Y142 AromaticContact CG-CE2 3.86Å; H128-Y142 AromaticContact CG-CZ 3.67Å; H128-Y142 AromaticContact ND1-CE1 3.67Å; H128-Y142 AromaticContact ND1-CZ 3.63Å; H128-Y142 AromaticContact NE2-CD1 3.76Å; H128-Y142 AromaticContact NE2-CE1 3.81Å |
| 129 | G | 79.6 | Confident | 81.3 | Confident | 59 Ų | 59 | 64 Ų | 64 | 61% | 0.608 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | -125.4 | -172 | 0 | 0 | 0 | 0 | 0 | 112 | V127 | V127-G129 VanDerWaalsContact CG1-O 3.23Å; V127-G129 WeakPolarHBondContact CG1-O 3.41Å |
| 130 | D | 73.1 | Confident | 81 | Confident | 123 Ų | 123 | 66.3 Ų | 66.3 | 66% | 0.658 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 4.9 | -179.6 | -72.5 | -44.2 | 0 | 0 | 0 | 114.1 | K104 H128 | K104-D130 IonicContact NZ-OD1 2.61Å; K104-D130 PolarHBondContact NZ-OD1 3.07Å; H128-D130 PolarHBondContact O-N 2.92Å |
| 131 | E | 80.8 | Confident | 80.9 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 39% | 0.393 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 140.8 | -173.5 | -62.5 | 178.1 | 143.1 | 0 | 0 | 112.1 | M114 H128 Y133 | M114-E131 HydrophobicContact CG-CB 4.5Å; H128-E131 PolarHBondContact N-O 3.16Å; E131-Y133 HydrophobicContact CB-CD2 4.5Å; E131-Y133 HydrophobicContact CB-CE2 3.62Å; E131-Y133 PolarHBondContact OE2-OH 3.31Å |
| 132 | I | 85.8 | Confident | 81.1 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 132.2 | -178 | 59.7 | 168.5 | 0 | 0 | 0 | 112.3 | W106 F111 L112 M114 L120 V125 V127 | W106-I132 HydrophobicContact CE3-CD1 4.49Å; W106-I132 HydrophobicContact CH2-CG2 4.26Å; W106-I132 HydrophobicContact CZ2-CG2 4.01Å; F111-I132 HydrophobicContact CD2-CD1 3.81Å; F111-I132 HydrophobicContact CE2-CD1 4.19Å; F111-I132 HydrophobicContact CG-CD1 4.4Å; L112-I132 WeakPolarHBondContact O-CD1 3.41Å; L112-I132 VanDerWaalsContact O-CG1 3.26Å; L112-I132 WeakPolarHBondContact O-CG1 3.3Å; M114-I132 PolarHBondContact N-O 2.6Å; L120-I132 HydrophobicContact CD1-CD1 4.32Å; V125-I132 HydrophobicContact CG2-CB 4.28Å; V125-I132 HydrophobicContact CG2-CG2 4.46Å; V127-I132 HydrophobicContact CG2-CG2 4.28Å |
| 133 | Y | 87.4 | Confident | 81.6 | Confident | 17 Ų | 17 | 64.1 Ų | 64.1 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 151.4 | -175.8 | -63.2 | -80.8 | 0 | 0 | 0 | 112.4 | M114 V115 A126 H128 E131 Y142 | M114-Y133 HydrophobicContact CB-CE1 4.4Å; V115-Y133 HydrophobicContact CG2-CD1 3.68Å; V115-Y133 HydrophobicContact CG2-CE1 3.6Å; A126-Y133 PolarHBondContact N-O 3.11Å; A126-Y133 WeakPolarHBondContact O-CA 3.32Å; A126-Y133 WeakPolarHBondContact O-CB 3.48Å; A126-Y133 PolarHBondContact O-N 3.08Å; H128-Y133 HydrophobicContact CB-CD2 4Å; H128-Y133 HydrophobicContact CB-CE2 3.9Å; E131-Y133 HydrophobicContact CB-CD2 4.5Å; E131-Y133 HydrophobicContact CB-CE2 3.62Å; E131-Y133 PolarHBondContact OE2-OH 3.31Å; Y133-Y142 HydrophobicContact CD2-CE2 4.23Å; Y133-Y142 AromaticContact CE2-CE2 3.96Å; Y133-Y142 HydrophobicContact CE2-CE2 3.96Å; Y133-Y142 PolarHBondContact OH-OH 3.04Å |
| 134 | C | 87.9 | Confident | 81.8 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 9% | 0.088 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 145.7 | 167.5 | 91.6 | 0 | 0 | 0 | 0 | 110.4 | C113 L120 S136 C137 Y138 | C113-C134 HydrophobicContact CB-CB 4.12Å; C113-C134 PolarHBondContact SG-N 3.46Å; L120-C134 VanDerWaalsContact CD2-CA 3.45Å; L120-C134 HydrophobicContact CD2-CB 3.59Å; C134-S136 PolarHBondContact O-N 3.04Å; C134-S136 VanDerWaalsContact O-N 3.11Å; C134-C137 HydrophobicContact CB-CB 4.08Å; C134-C137 WeakPolarHBondContact CB-SG 3.44Å; C134-C137 CarbonylContact O-C 3.57Å; C134-C137 WeakPolarHBondContact O-CA 3.28Å; C134-C137 WeakPolarHBondContact O-CB 3.34Å; C134-C137 PolarHBondContact O-N 3.03Å; C134-C137 WeakPolarHBondContact SG-CB 3.3Å; C134-C137 PolarHBondContact SG-N 3.38Å; C134-C137 CovalentContact SG-SG 2.07Å; C134-C137 PolarHBondContact SG-SG 2.95Å; C134-Y138 WeakPolarHBondContact O-CB 3.37Å; C134-Y138 PolarHBondContact O-N 2.97Å |
| 135 | K | 84.4 | Confident | 81.6 | Confident | 166 Ų | 166 | 65.5 Ų | 65.5 | 72% | 0.722 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -48.9 | -42.5 | 177.7 | -175.1 | 178.1 | -178.8 | 178 | 0 | 113.3 | G139 | K135-G139 PolarHBondContact O-N 3.22Å; K135-G139 VanDerWaalsContact O-N 3.08Å |
| 136 | S | 84.9 | Confident | 80.6 | Confident | 77 Ų | 77 | 66.1 Ų | 66.1 | 54% | 0.538 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.7 | -36 | 177.1 | -175.6 | 0 | 0 | 0 | 0 | 112.9 | C134 K140 | C134-S136 PolarHBondContact O-N 3.04Å; C134-S136 VanDerWaalsContact O-N 3.11Å; S136-K140 VanDerWaalsContact O-CG 3.24Å; S136-K140 WeakPolarHBondContact O-CG 3.12Å; S136-K140 PolarHBondContact O-N 3.33Å |
| 137 | C | 84.2 | Confident | 79.4 | Confident | 9 Ų | 9 | 75.5 Ų | 75.5 | 6% | 0.061 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -75.6 | -42.5 | -179.2 | -50.7 | 0 | 0 | 0 | 0 | 110.6 | C113 V115 C116 C134 K140 K141 | C113-C137 PolarHBondContact SG-SG 2.86Å; V115-C137 HydrophobicContact CB-CB 4.17Å; V115-C137 HydrophobicContact CG2-CB 4.35Å; C116-C137 PolarHBondContact SG-SG 3.46Å; C134-C137 HydrophobicContact CB-CB 4.08Å; C134-C137 WeakPolarHBondContact CB-SG 3.44Å; C134-C137 CarbonylContact O-C 3.57Å; C134-C137 WeakPolarHBondContact O-CA 3.28Å; C134-C137 WeakPolarHBondContact O-CB 3.34Å; C134-C137 PolarHBondContact O-N 3.03Å; C134-C137 WeakPolarHBondContact SG-CB 3.3Å; C134-C137 PolarHBondContact SG-N 3.38Å; C134-C137 CovalentContact SG-SG 2.07Å; C134-C137 PolarHBondContact SG-SG 2.95Å; C137-K140 PolarHBondContact O-N 2.97Å; C137-K141 PolarHBondContact O-N 2.79Å |
| 138 | Y | 87 | Confident | 78 | Confident | 82 Ų | 82 | 75.7 Ų | 75.7 | 32% | 0.322 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.5 | -49.2 | 176.3 | -176.9 | -89.3 | 0 | 0 | 0 | 110.8 | A126 H128 C134 K140 K141 Y142 | A126-Y138 HydrophobicContact CB-CD1 4.27Å; A126-Y138 HydrophobicContact CB-CD2 3.64Å; A126-Y138 HydrophobicContact CB-CE2 4.25Å; A126-Y138 HydrophobicContact CB-CG 3.64Å; H128-Y138 HydrophobicContact CB-CD2 4.41Å; H128-Y138 HydrophobicContact CB-CE2 3.92Å; H128-Y138 AromaticContact CD2-CE2 3.73Å; C134-Y138 WeakPolarHBondContact O-CB 3.37Å; C134-Y138 PolarHBondContact O-N 2.97Å; Y138-K140 VanDerWaalsContact C-N 3.28Å; Y138-K140 PolarHBondContact O-N 3.25Å; Y138-K141 PolarHBondContact O-N 2.07Å; Y138-Y142 AromaticContact CD2-CD2 3.66Å; Y138-Y142 HydrophobicContact CD2-CD2 3.66Å; Y138-Y142 HydrophobicContact CD2-CE2 4.25Å; Y138-Y142 AromaticContact CE2-CD2 3.77Å; Y138-Y142 HydrophobicContact CE2-CD2 3.77Å; Y138-Y142 HydrophobicContact CE2-CE2 4.43Å; Y138-Y142 HydrophobicContact CE2-CG 4.31Å; Y138-Y142 HydrophobicContact CG-CD2 4.24Å; Y138-Y142 PolarHBondContact O-N 2.95Å |
| 139 | G | 84.3 | Confident | 76.7 | Confident | 24 Ų | 24 | 79.4 Ų | 79.4 | 25% | 0.247 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61 | -32.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K135 G143 | K135-G139 PolarHBondContact O-N 3.22Å; K135-G139 VanDerWaalsContact O-N 3.08Å; G139-G143 WeakPolarHBondContact O-CA 3.37Å; G139-G143 PolarHBondContact O-N 2.85Å |
| 140 | K | 81.2 | Confident | 75.4 | Confident | 148 Ų | 148 | 79.4 Ų | 79.4 | 64% | 0.643 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -74 | -34.3 | 176.3 | -70.8 | 173.5 | -174.6 | -167.3 | 0 | 113.4 | S136 C137 Y138 K145 | S136-K140 VanDerWaalsContact O-CG 3.24Å; S136-K140 WeakPolarHBondContact O-CG 3.12Å; S136-K140 PolarHBondContact O-N 3.33Å; C137-K140 PolarHBondContact O-N 2.97Å; Y138-K140 VanDerWaalsContact C-N 3.28Å; Y138-K140 PolarHBondContact O-N 3.25Å; K140-K145 PolarHBondContact O-NZ 3.45Å |
| 141 | K | 79.9 | Confident | 74.7 | Confident | 62 Ų | 62 | 78 Ų | 78 | 27% | 0.27 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -85.6 | -47.9 | -177.9 | -73.3 | -68.5 | -169.4 | -177.1 | 0 | 112.1 | C137 Y138 I166 | C137-K141 PolarHBondContact O-N 2.79Å; Y138-K141 PolarHBondContact O-N 2.07Å; K141-I166 VanDerWaalsContact NZ-CD1 3.34Å |
| 142 | Y | 82.2 | Confident | 73.5 | Confident | 93 Ų | 93 | 76.8 Ų | 76.8 | 37% | 0.365 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -115.2 | -4.2 | -171 | -55 | -76.1 | 0 | 0 | 0 | 114.3 | H128 Y133 Y138 | H128-Y142 HydrophobicContact CB-CD2 4.49Å; H128-Y142 HydrophobicContact CB-CE2 3.91Å; H128-Y142 AromaticContact CD2-CD1 3.97Å; H128-Y142 AromaticContact CE1-CE1 3.6Å; H128-Y142 AromaticContact CG-CE1 3.93Å; H128-Y142 AromaticContact CG-CE2 3.86Å; H128-Y142 AromaticContact CG-CZ 3.67Å; H128-Y142 AromaticContact ND1-CE1 3.67Å; H128-Y142 AromaticContact ND1-CZ 3.63Å; H128-Y142 AromaticContact NE2-CD1 3.76Å; H128-Y142 AromaticContact NE2-CE1 3.81Å; Y133-Y142 HydrophobicContact CD2-CE2 4.23Å; Y133-Y142 AromaticContact CE2-CE2 3.96Å; Y133-Y142 HydrophobicContact CE2-CE2 3.96Å; Y133-Y142 PolarHBondContact OH-OH 3.04Å; Y138-Y142 AromaticContact CD2-CD2 3.66Å; Y138-Y142 HydrophobicContact CD2-CD2 3.66Å; Y138-Y142 HydrophobicContact CD2-CE2 4.25Å; Y138-Y142 AromaticContact CE2-CD2 3.77Å; Y138-Y142 HydrophobicContact CE2-CD2 3.77Å; Y138-Y142 HydrophobicContact CE2-CE2 4.43Å; Y138-Y142 HydrophobicContact CE2-CG 4.31Å; Y138-Y142 HydrophobicContact CG-CD2 4.24Å; Y138-Y142 PolarHBondContact O-N 2.95Å |
| 143 | G | 80.9 | Confident | 71.8 | Confident | 15 Ų | 15 | 82.1 Ų | 82.1 | 16% | 0.155 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -67.8 | 160.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | G139 K145 | G139-G143 WeakPolarHBondContact O-CA 3.37Å; G139-G143 PolarHBondContact O-N 2.85Å; G143-K145 PolarHBondContact O-N 3.19Å |
| 144 | P | 77.1 | Confident | 70.2 | Confident | 98 Ų | 98 | 84.1 Ų | 84.1 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | trans | -51 | 114.4 | 177 | 21.3 | -33.5 | 0 | 0 | 0 | 110.2 | G146 F149 | P144-G146 VanDerWaalsContact C-N 3.28Å; P144-G146 PolarHBondContact O-N 3.02Å; P144-F149 HydrophobicContact CG-CE2 4.1Å; P144-F149 HydrophobicContact CG-CZ 3.98Å | ||
| 145 | K | 65.5 | Low | 68.4 | Low | 131 Ų | 131 | 89.9 Ų | 89.9 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -83.8 | 76 | -176.6 | -145.8 | 96.6 | 172.3 | -174.8 | 0 | 108.3 | K140 G143 | K140-K145 PolarHBondContact O-NZ 3.45Å; G143-K145 PolarHBondContact O-N 3.19Å |
| 146 | G | 61.4 | Low | 66.6 | Low | 47 Ų | 47 | 89.1 Ų | 89.1 | 49% | 0.485 | 55% | 0.552 | S | S | . | * | S | Bend | trans | 158.9 | 117.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | P144 | P144-G146 VanDerWaalsContact C-N 3.28Å; P144-G146 PolarHBondContact O-N 3.02Å |
| 147 | Y | 56.5 | Low | 65.3 | Low | 219 Ų | 219 | 90.2 Ų | 90.2 | 86% | 0.859 | 56% | 0.559 | S | S | * | * | S | Bend | trans | 78.6 | 116.6 | -174.2 | -172.9 | -97.2 | 0 | 0 | 0 | 114.9 | ||
| 148 | G | 52.2 | Low | 63.9 | Low | 37 Ų | 37 | 96.2 Ų | 96.2 | 38% | 0.381 | 59% | 0.588 | S | S | . | * | trans | -60.5 | 139.4 | -157 | 0 | 0 | 0 | 0 | 0 | 116.8 | G150 | G148-G150 PolarHBondContact O-N 3.03Š| ||
| 149 | F | 54.9 | Low | 62.3 | Low | 157 Ų | 157 | 98.2 Ų | 98.2 | 69% | 0.689 | 61% | 0.605 | S | S | * | * | trans | -72.8 | 70.3 | 160.4 | -77.3 | -87.1 | 0 | 0 | 0 | 109.7 | P144 G151 | P144-F149 HydrophobicContact CG-CE2 4.1Å; P144-F149 HydrophobicContact CG-CZ 3.98Å; F149-G151 PolarHBondContact O-N 2.81Å | ||
| 150 | G | 52.5 | Low | 61 | Low | 60 Ų | 60 | 99.8 Ų | 99.8 | 62% | 0.619 | 61% | 0.609 | S | S | * | * | trans | -86.7 | 96.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | G148 G152 | G148-G150 PolarHBondContact O-N 3.03Å; G150-G152 PolarHBondContact O-N 3.29Å | ||
| 151 | G | 56.7 | Low | 59.8 | Low | 92 Ų | 92 | 94 Ų | 94 | 95% | 0.948 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -70.1 | 82.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | F149 | F149-G151 PolarHBondContact O-N 2.81Š|
| 152 | G | 56.1 | Low | 58.6 | Low | 60 Ų | 60 | 98.5 Ų | 98.5 | 62% | 0.619 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 98 | 159 | 174 | 0 | 0 | 0 | 0 | 0 | 115.8 | G150 G154 | G150-G152 PolarHBondContact O-N 3.29Å; G152-G154 PolarHBondContact O-N 3.24Å |
| 153 | A | 50.3 | Low | 57.2 | Low | 118 Ų | 118 | 97.3 Ų | 97.3 | 98% | 0.975 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -66.9 | 99.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 154 | G | 53.9 | Low | 55.9 | Low | 58 Ų | 58 | 101.2 Ų | 101.2 | 60% | 0.598 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 172.4 | 104.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | G152 | G152-G154 PolarHBondContact O-N 3.24Š|
| 155 | T | 49.8 | Very low | 54.6 | Low | 134 Ų | 134 | 100.3 Ų | 100.3 | 82% | 0.822 | 66% | 0.655 | S | S | * | * | trans | 44.1 | 100 | 168.1 | 68.1 | 0 | 0 | 0 | 0 | 116.2 | S157 | T155-S157 PolarHBondContact O-N 3.35Š| ||
| 156 | L | 47.6 | Very low | 54.1 | Low | 150 Ų | 150 | 99.8 Ų | 99.8 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | trans | -59.7 | 103.4 | 171.3 | 26.9 | 158.9 | 0 | 0 | 0 | 109.4 | ||||
| 157 | S | 56 | Low | 53.4 | Low | 100 Ų | 100 | 105.7 Ų | 105.7 | 70% | 0.699 | 67% | 0.67 | S | S | * | * | trans | -84.8 | 112.7 | 173.2 | -167.2 | 0 | 0 | 0 | 0 | 108.9 | T155 D159 | T155-S157 PolarHBondContact O-N 3.35Å; S157-D159 VanDerWaalsContact C-N 3.29Å; S157-D159 PolarHBondContact O-N 3Å | ||
| 158 | M | 54.7 | Low | 53.2 | Low | 136 Ų | 136 | 101.3 Ų | 101.3 | 67% | 0.67 | 67% | 0.668 | S | S | * | * | trans | -88.4 | 69.6 | 167.1 | -68.7 | -134.2 | 70.7 | 0 | 0 | 109.1 | T160 | M158-T160 PolarHBondContact O-N 2.9Š| ||
| 159 | D | 55 | Low | 52.8 | Low | 124 Ų | 124 | 106.8 Ų | 106.8 | 66% | 0.663 | 68% | 0.684 | S | S | * | * | trans | -86.7 | 79.7 | 165.4 | -147.2 | -87.2 | 0 | 0 | 0 | 107.3 | S157 G161 | S157-D159 VanDerWaalsContact C-N 3.29Å; S157-D159 PolarHBondContact O-N 3Å; D159-G161 PolarHBondContact O-N 3.03Å | ||
| 160 | T | 55.8 | Low | 52.5 | Low | 56 Ų | 56 | 106 Ų | 106 | 34% | 0.344 | 69% | 0.692 | S | S | . | * | trans | -55 | 102.3 | 156.9 | -44.1 | 0 | 0 | 0 | 0 | 103.7 | M158 E162 | M158-T160 PolarHBondContact O-N 2.9Å; T160-E162 VanDerWaalsContact CB-OE2 3.29Å; T160-E162 WeakPolarHBondContact CB-OE2 3.39Å; T160-E162 HydrophobicContact CG2-CG 4.14Å; T160-E162 WeakPolarHBondContact CG2-OE2 3.47Å; T160-E162 WeakPolarHBondContact O-CB 3.36Å; T160-E162 PolarHBondContact O-N 3.18Å | ||
| 161 | G | 56.3 | Low | 52.5 | Low | 26 Ų | 26 | 110.8 Ų | 110.8 | 27% | 0.268 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -63.1 | 56 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | D159 G163 | D159-G161 PolarHBondContact O-N 3.03Å; G161-G163 VanDerWaalsContact C-N 3.28Å |
| 162 | E | 55 | Low | 52.4 | Low | 157 Ų | 157 | 110.2 Ų | 110.2 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -12.1 | 171.3 | -69 | 166.5 | 122.9 | 0 | 0 | 110.1 | T160 L164 | T160-E162 VanDerWaalsContact CB-OE2 3.29Å; T160-E162 WeakPolarHBondContact CB-OE2 3.39Å; T160-E162 HydrophobicContact CG2-CG 4.14Å; T160-E162 WeakPolarHBondContact CG2-OE2 3.47Å; T160-E162 WeakPolarHBondContact O-CB 3.36Å; T160-E162 PolarHBondContact O-N 3.18Å; E162-L164 PolarHBondContact O-N 3.17Å |
| 163 | G | 53.5 | Low | 52 | Low | 69 Ų | 69 | 113.2 Ų | 113.2 | 71% | 0.711 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -2.2 | 166 | 0 | 0 | 0 | 0 | 0 | 114.8 | G161 | G161-G163 VanDerWaalsContact C-N 3.28Š|
| 164 | L | 52.9 | Low | 52.3 | Low | 96 Ų | 96 | 115.3 Ų | 115.3 | 50% | 0.503 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -113.7 | 80.1 | 171 | -62 | 179.8 | 0 | 0 | 0 | 108.5 | V115 E162 I166 | V115-L164 HydrophobicContact CG1-CD1 3.51Å; E162-L164 PolarHBondContact O-N 3.17Å; L164-I166 VanDerWaalsContact C-N 3.34Å; L164-I166 PolarHBondContact O-N 2.99Å |
| 165 | G | 49.4 | Very low | 52 | Low | 80 Ų | 80 | 123.5 Ų | 123.5 | 83% | 0.825 | 70% | 0.695 | S | S | * | * | trans | -57 | 91.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K167 | G165-K167 PolarHBondContact O-N 3.17Š| ||
| 166 | I | 54.9 | Low | 52.2 | Low | 119 Ų | 119 | 122.5 Ų | 122.5 | 61% | 0.61 | 69% | 0.69 | S | S | * | * | trans | -94.8 | 81.2 | 164.4 | -45.7 | 170.8 | 0 | 0 | 0 | 105.7 | K141 L164 | K141-I166 VanDerWaalsContact NZ-CD1 3.34Å; L164-I166 VanDerWaalsContact C-N 3.34Å; L164-I166 PolarHBondContact O-N 2.99Å | ||
| 167 | K | 46.7 | Very low | 52.7 | Low | 172 Ų | 172 | 121.7 Ų | 121.7 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | trans | -67.4 | 130.2 | 148.7 | -101 | -177.9 | 163.6 | -172.7 | 0 | 105.5 | G165 E169 | G165-K167 PolarHBondContact O-N 3.17Å; K167-E169 PolarHBondContact O-N 2.92Å | ||
| 168 | P | 52 | Low | 52.8 | Low | 127 Ų | 127 | 123.4 Ų | 123.4 | 83% | 0.825 | 69% | 0.693 | S | S | * | * | trans | -71.5 | 78 | 167 | 30.3 | -29.6 | 0 | 0 | 0 | 107 | ||||
| 169 | E | 44.5 | Very low | 53.1 | Low | 152 Ų | 152 | 123 Ų | 123 | 71% | 0.71 | 69% | 0.694 | S | S | * | * | trans | -87.9 | 116 | 167.5 | -165.3 | 154.7 | 124.6 | 0 | 0 | 107.2 | K167 Q171 | K167-E169 PolarHBondContact O-N 2.92Å; E169-Q171 PolarHBondContact O-N 2.8Å | ||
| 170 | V | 48.7 | Very low | 53.4 | Low | 140 Ų | 140 | 122 Ų | 122 | 85% | 0.848 | 69% | 0.694 | S | S | * | * | trans | -51.3 | 108 | 176.8 | 175.3 | 0 | 0 | 0 | 0 | 108.4 | A172 | V170-A172 PolarHBondContact O-N 3.03Š| ||
| 171 | Q | 52.8 | Low | 53.4 | Low | 161 Ų | 161 | 125.6 Ų | 125.6 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 119.6 | 175.1 | -71.2 | 175 | 14.3 | 0 | 0 | 108.5 | E169 | E169-Q171 PolarHBondContact O-N 2.8Š|
| 172 | A | 55.3 | Low | 53.2 | Low | 79 Ų | 79 | 128.5 Ų | 128.5 | 65% | 0.653 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -50 | 146.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V170 H174 | V170-A172 PolarHBondContact O-N 3.03Å; A172-H174 PolarHBondContact O-N 2.81Å |
| 173 | P | 46 | Very low | 53.6 | Low | 124 Ų | 124 | 125.9 Ų | 125.9 | 81% | 0.805 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 135.2 | -175.1 | 23.3 | -32.7 | 0 | 0 | 0 | 110.7 | R175 | P173-R175 PolarHBondContact O-N 3.15Š|
| 174 | H | 57.4 | Low | 53.4 | Low | 162 Ų | 162 | 132.1 Ų | 132.1 | 75% | 0.75 | 74% | 0.74 | S | S | * | * | trans | -59.3 | 102.2 | 175.2 | -72.9 | -149.5 | 0 | 0 | 0 | 109 | A172 P176 | A172-H174 PolarHBondContact O-N 2.81Å; H174-P176 WeakPolarHBondContact O-CD 3.43Å | ||
| 175 | R | 47.9 | Very low | 53.3 | Low | 230 Ų | 230 | 137.2 Ų | 137.2 | 87% | 0.868 | 76% | 0.758 | S | S | * | * | trans | -66.6 | 122.2 | 163.5 | -174.3 | 177.6 | 179.4 | -160.1 | 0.1 | 106.8 | P173 T177 | P173-R175 PolarHBondContact O-N 3.15Å; R175-T177 PolarHBondContact O-N 3.47Å | ||
| 176 | P | 53.1 | Low | 53.6 | Low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -61 | 118.7 | 172.9 | 25.1 | -30.9 | 0 | 0 | 0 | 107.4 | H174 N178 | H174-P176 WeakPolarHBondContact O-CD 3.43Å; P176-N178 PolarHBondContact O-N 2.93Å | ||
| 177 | T | 58.6 | Low | 53.8 | Low | 133 Ų | 133 | 139.2 Ų | 139.2 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | trans | -67.8 | 91.6 | 165.6 | 173.8 | 0 | 0 | 0 | 0 | 106.8 | R175 N179 | R175-T177 PolarHBondContact O-N 3.47Å; T177-N179 PolarHBondContact O-N 2.94Å; T177-N179 VanDerWaalsContact O-N 3.13Å | ||
| 178 | N | 57.4 | Low | 54 | Low | 137 Ų | 137 | 139.6 Ų | 139.6 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | -69.3 | 103.4 | 161.6 | -177.7 | -34 | 0 | 0 | 0 | 105.3 | P176 P180 | P176-N178 PolarHBondContact O-N 2.93Å; N178-P180 WeakPolarHBondContact O-CD 3.01Å | ||
| 179 | N | 62.7 | Low | 53.8 | Low | 127 Ų | 127 | 139.1 Ų | 139.1 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | trans | -75.9 | 108 | 165.9 | -178.7 | 33.4 | 0 | 0 | 0 | 107.2 | T177 N181 | T177-N179 PolarHBondContact O-N 2.94Å; T177-N179 VanDerWaalsContact O-N 3.13Å; N179-N181 VanDerWaalsContact C-N 3.3Å; N179-N181 PolarHBondContact O-N 3.4Å | ||
| 180 | P | 59.6 | Low | 54.1 | Low | 104 Ų | 104 | 136.4 Ų | 136.4 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | trans | -72 | 99.7 | 165.3 | 31.5 | -28.3 | 0 | 0 | 0 | 105.5 | N178 A182 | N178-P180 WeakPolarHBondContact O-CD 3.01Å; P180-A182 PolarHBondContact O-N 2.82Å | ||
| 181 | N | 56.5 | Low | 54.6 | Low | 130 Ų | 130 | 133.7 Ų | 133.7 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | trans | -55.8 | 96.1 | 162 | 167.6 | 6.2 | 0 | 0 | 0 | 107.7 | N179 S183 | N179-N181 VanDerWaalsContact C-N 3.3Å; N179-N181 PolarHBondContact O-N 3.4Å; N181-S183 WeakPolarHBondContact OD1-CA 3.28Å; N181-S183 PolarHBondContact OD1-N 2.96Å | ||
| 182 | A | 52.3 | Low | 55.2 | Low | 88 Ų | 88 | 129.7 Ų | 129.7 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -89.3 | 98.2 | 156 | 0 | 0 | 0 | 0 | 0 | 106.2 | P180 K184 | P180-A182 PolarHBondContact O-N 2.82Å; A182-K184 VanDerWaalsContact C-N 3.28Å; A182-K184 PolarHBondContact O-N 2.88Å | ||
| 183 | S | 62.9 | Low | 56.3 | Low | 101 Ų | 101 | 128.5 Ų | 128.5 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | -62.6 | 89.4 | 174.4 | 54 | 0 | 0 | 0 | 0 | 109.1 | N181 | N181-S183 WeakPolarHBondContact OD1-CA 3.28Å; N181-S183 PolarHBondContact OD1-N 2.96Å | ||
| 184 | K | 49.9 | Very low | 58.1 | Low | 201 Ų | 201 | 126 Ų | 126 | 87% | 0.874 | 72% | 0.715 | S | S | * | * | trans | -93.9 | 102 | 171.2 | -153.3 | 135.8 | -173.8 | 176.5 | 0 | 108.3 | A182 | A182-K184 VanDerWaalsContact C-N 3.28Å; A182-K184 PolarHBondContact O-N 2.88Å | ||
| 185 | F | 51.3 | Low | 59.5 | Low | 202 Ų | 202 | 118.3 Ų | 118.3 | 89% | 0.886 | 68% | 0.679 | S | S | * | * | trans | -51.4 | 141.5 | 169.4 | -119.3 | -102.4 | 0 | 0 | 0 | 110.7 | ||||
| 186 | A | 56.3 | Low | 61.1 | Low | 76 Ų | 76 | 111 Ų | 111 | 63% | 0.628 | 66% | 0.661 | S | S | * | * | trans | -42.6 | 146.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 187 | Q | 58.1 | Low | 62.5 | Low | 165 Ų | 165 | 110.6 Ų | 110.6 | 77% | 0.771 | 65% | 0.645 | S | S | * | * | trans | -158.8 | 124.7 | 131.4 | -82.4 | -50.2 | -89.3 | 0 | 0 | 112.5 | ||||
| 188 | K | 50.3 | Low | 63.7 | Low | 181 Ų | 181 | 106.5 Ų | 106.5 | 79% | 0.787 | 62% | 0.621 | S | S | * | * | trans | 75.2 | 118.9 | 140.1 | -97.5 | 168.1 | 175.4 | 172.6 | 0 | 123.1 | ||||
| 189 | S | 48 | Very low | 64.8 | Low | 117 Ų | 117 | 102.7 Ų | 102.7 | 82% | 0.818 | 61% | 0.614 | S | S | * | * | trans | 58.4 | 76.7 | 142.1 | 60.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 190 | A | 51.3 | Low | 65.7 | Low | 94 Ų | 94 | 103.4 Ų | 103.4 | 78% | 0.777 | 61% | 0.612 | S | S | * | * | trans | -116.8 | 121.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | S192 | A190-S192 PolarHBondContact O-N 3.12Š| ||
| 191 | G | 58.2 | Low | 67 | Low | 84 Ų | 84 | 100.8 Ų | 100.8 | 87% | 0.866 | 59% | 0.594 | S | S | * | * | trans | -50 | 96.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113 | E193 | G191-E193 PolarHBondContact O-N 3.44Š| ||
| 192 | S | 65.5 | Low | 68.3 | Low | 77 Ų | 77 | 95 Ų | 95 | 54% | 0.538 | 56% | 0.563 | S | S | . | * | trans | -72.7 | 100.6 | 170.7 | 58 | 0 | 0 | 0 | 0 | 106.5 | A190 V194 | A190-S192 PolarHBondContact O-N 3.12Å; S192-V194 WeakPolarHBondContact O-CG2 3.48Å; S192-V194 PolarHBondContact O-N 2.96Å | ||
| 193 | E | 78.8 | Confident | 69.7 | Low | 53 Ų | 53 | 98.6 Ų | 98.6 | 25% | 0.248 | 56% | 0.559 | C | S | . | * | P | Polyproline II helix | trans | -60.4 | 119.1 | 176.7 | 57.6 | -165.3 | 153.1 | 0 | 0 | 109.4 | G191 V202 K207 S214 | G191-E193 PolarHBondContact O-N 3.44Å; E193-V202 HydrophobicContact CG-CB 4.25Å; E193-V202 PolarHBondContact O-N 2.6Å; E193-K207 WeakPolarHBondContact OE1-CD 3.24Å; E193-K207 IonicContact OE1-NZ 3.25Å; E193-K207 PolarHBondContact OE1-NZ 2.8Å; E193-K207 IonicContact OE2-NZ 3.75Å; E193-S214 WeakPolarHBondContact CB-OG 3.43Å; E193-S214 WeakPolarHBondContact OE2-CB 3.09Å; E193-S214 PolarHBondContact OE2-OG 3.3Å |
| 194 | V | 85.2 | Confident | 70.4 | Confident | 73 Ų | 73 | 98 Ų | 98 | 44% | 0.442 | 56% | 0.56 | S | S | . | * | B | Isolated β-bridge | trans | -101.6 | 136.4 | -172.4 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | S192 P196 G199 T201 | S192-V194 WeakPolarHBondContact O-CG2 3.48Å; S192-V194 PolarHBondContact O-N 2.96Å; V194-P196 WeakPolarHBondContact O-CD 3.13Å; V194-G199 WeakPolarHBondContact CG1-O 3.17Å; V194-T201 HydrophobicContact CG2-CG2 4.44Å |
| 195 | C | 86.4 | Confident | 71.8 | Confident | 0 Ų | 0 | 92.4 Ų | 92.4 | 0% | 0 | 55% | 0.551 | C | S | . | * | P | Polyproline II helix | trans | -77.4 | 121.7 | 174.3 | -179.6 | 0 | 0 | 0 | 0 | 111.1 | R197 C198 G199 K200 V202 S214 H216 | C195-R197 PolarHBondContact O-N 3.05Å; C195-C198 PolarHBondContact O-N 3.2Å; C195-G199 VanDerWaalsContact O-CA 3.3Å; C195-G199 WeakPolarHBondContact O-CA 3.41Å; C195-G199 PolarHBondContact O-N 3.44Å; C195-K200 PolarHBondContact N-O 2.79Å; C195-V202 HydrophobicContact CB-CG2 3.67Å; C195-S214 VanDerWaalsContact CA-O 3.28Å; C195-S214 WeakPolarHBondContact CA-O 3.42Å; C195-H216 VanDerWaalsContact CB-CE1 3.41Å; C195-H216 WeakPolarHBondContact CB-CE1 3.47Å; C195-H216 VanDerWaalsContact CB-ND1 3.32Å; C195-H216 WeakPolarHBondContact CB-ND1 3.5Å |
| 196 | P | 81.8 | Confident | 73.2 | Confident | 75 Ų | 75 | 87.5 Ų | 87.5 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18.8 | -179.2 | 26.6 | -35.2 | 0 | 0 | 0 | 113.6 | V194 W215 | V194-P196 WeakPolarHBondContact O-CD 3.13Å; P196-W215 HydrophobicContact CG-CD2 4.23Å; P196-W215 HydrophobicContact CG-CE3 4.22Å; P196-W215 HydrophobicContact CG-CH2 3.5Å; P196-W215 VanDerWaalsContact CG-CH2 3.5Å; P196-W215 HydrophobicContact CG-CZ2 3.49Å; P196-W215 VanDerWaalsContact CG-CZ2 3.49Å; P196-W215 HydrophobicContact CG-CZ3 3.89Å |
| 197 | R | 81.4 | Confident | 74.4 | Confident | 104 Ų | 104 | 88 Ų | 88 | 39% | 0.392 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -33.3 | 179.9 | -174.6 | 165.9 | -69.6 | -166.8 | 1.4 | 114.2 | C195 W215 C219 R221 | C195-R197 PolarHBondContact O-N 3.05Å; R197-W215 HydrophobicContact CB-CE3 4.23Å; R197-W215 HydrophobicContact CB-CZ3 3.81Å; R197-C219 HydrophobicContact CB-CB 4.4Å; R197-C219 WeakPolarHBondContact CD-O 3.35Å; R197-C219 PolarHBondContact NH1-O 2.82Å; R197-R221 PolarHBondContact NH1-O 2.85Å; R197-R221 PolarHBondContact NH2-O 3.21Å |
| 198 | C | 84.1 | Confident | 75.7 | Confident | 47 Ų | 47 | 81.1 Ų | 81.1 | 32% | 0.318 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -6 | -176.4 | 68.5 | 0 | 0 | 0 | 0 | 113.7 | C195 K200 H216 | C195-C198 PolarHBondContact O-N 3.2Å; C198-K200 PolarHBondContact O-N 3.42Å; C198-K200 VanDerWaalsContact O-N 3.11Å; C198-H216 PolarHBondContact SG-CE1 3.48Å; C198-H216 PolarHBondContact SG-ND1 3.23Å |
| 199 | G | 79.6 | Confident | 77.2 | Confident | 57 Ų | 57 | 76.9 Ų | 76.9 | 59% | 0.588 | 47% | 0.473 | S | S | * | . | trans | 67.7 | 3.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V194 C195 | V194-G199 WeakPolarHBondContact CG1-O 3.17Å; C195-G199 VanDerWaalsContact O-CA 3.3Å; C195-G199 WeakPolarHBondContact O-CA 3.41Å; C195-G199 PolarHBondContact O-N 3.44Å | ||
| 200 | K | 83.4 | Confident | 78.6 | Confident | 143 Ų | 143 | 71.6 Ų | 71.6 | 62% | 0.622 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -90.6 | 148.8 | -179 | -59.1 | 172.6 | -170 | 177.7 | 0 | 110.6 | C195 C198 H216 | C195-K200 PolarHBondContact N-O 2.79Å; C198-K200 PolarHBondContact O-N 3.42Å; C198-K200 VanDerWaalsContact O-N 3.11Å; K200-H216 PolarHBondContact O-CE1 3.2Å |
| 201 | T | 85.4 | Confident | 79.5 | Confident | 49 Ų | 49 | 69 Ų | 69 | 30% | 0.301 | 42% | 0.42 | S | S | . | . | B | Isolated β-bridge | trans | -63.3 | 138.3 | 172.3 | 53.9 | 0 | 0 | 0 | 0 | 110.2 | V194 H216 | V194-T201 HydrophobicContact CG2-CG2 4.44Å; T201-H216 PolarHBondContact O-NE2 3.3Å; T201-H216 VanDerWaalsContact O-NE2 3.17Å |
| 202 | V | 83.2 | Confident | 80.5 | Confident | 7 Ų | 7 | 68.6 Ų | 68.6 | 4% | 0.042 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -98.3 | 118.6 | 177.2 | -175 | 0 | 0 | 0 | 0 | 107.6 | E193 C195 K207 | E193-V202 HydrophobicContact CG-CB 4.25Å; E193-V202 PolarHBondContact O-N 2.6Å; C195-V202 HydrophobicContact CB-CG2 3.67Å; V202-K207 HydrophobicContact CG1-CB 3.5Å |
| 203 | Y | 83.1 | Confident | 81.3 | Confident | 165 Ų | 165 | 68.7 Ų | 68.7 | 65% | 0.647 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -84.8 | 155.1 | 175.5 | -62.7 | -78.4 | 0 | 0 | 0 | 110.5 | A205 E206 K207 | Y203-A205 PolarHBondContact O-N 3.18Å; Y203-E206 PolarHBondContact O-N 3.04Å; Y203-K207 PolarHBondContact O-N 3.48Å; Y203-K207 VanDerWaalsContact O-N 3.16Å |
| 204 | A | 77.3 | Confident | 81.6 | Confident | 87 Ų | 87 | 66.9 Ų | 66.9 | 72% | 0.719 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -28.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 205 | A | 80.1 | Confident | 81.7 | Confident | 84 Ų | 84 | 63.6 Ų | 63.6 | 69% | 0.694 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -30.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y203 K217 | Y203-A205 PolarHBondContact O-N 3.18Å; A205-K217 VanDerWaalsContact O-CE 3.3Å; A205-K217 WeakPolarHBondContact O-CE 3.46Å |
| 206 | E | 79.4 | Confident | 81.8 | Confident | 99 Ų | 99 | 64.6 Ų | 64.6 | 46% | 0.463 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 4.1 | -173.7 | -62.8 | -166.8 | 120.3 | 0 | 0 | 113.2 | Y203 H216 K217 | Y203-E206 PolarHBondContact O-N 3.04Å; E206-H216 IonicContact OE2-CD2 3.93Å; E206-K217 PolarHBondContact O-N 3.21Å; E206-K217 VanDerWaalsContact O-N 3.15Å |
| 207 | K | 82.7 | Confident | 81.8 | Confident | 88 Ų | 88 | 67.4 Ų | 67.4 | 38% | 0.383 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 133.5 | -173.9 | 94.8 | 174.4 | -173.3 | 175 | 0 | 113 | E193 V202 Y203 | E193-K207 WeakPolarHBondContact OE1-CD 3.24Å; E193-K207 IonicContact OE1-NZ 3.25Å; E193-K207 PolarHBondContact OE1-NZ 2.8Å; E193-K207 IonicContact OE2-NZ 3.75Å; V202-K207 HydrophobicContact CG1-CB 3.5Å; Y203-K207 PolarHBondContact O-N 3.48Å; Y203-K207 VanDerWaalsContact O-N 3.16Å |
| 208 | V | 83.6 | Confident | 81.9 | Confident | 20 Ų | 20 | 64.4 Ų | 64.4 | 12% | 0.121 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 121.5 | 168 | -174.6 | 0 | 0 | 0 | 0 | 106.7 | W215 K217 F220 | V208-W215 PolarHBondContact N-O 3.31Å; V208-W215 PolarHBondContact O-N 3.18Å; V208-K217 HydrophobicContact CG2-CB 4.43Å; V208-K217 HydrophobicContact CG2-CG 3.69Å; V208-F220 HydrophobicContact CG1-CD1 4.19Å; V208-F220 HydrophobicContact CG1-CD2 4.31Å; V208-F220 HydrophobicContact CG1-CE1 4.26Å; V208-F220 HydrophobicContact CG1-CE2 4.39Å; V208-F220 HydrophobicContact CG1-CG 4.2Å; V208-F220 HydrophobicContact CG1-CZ 4.34Å |
| 209 | I | 83.1 | Confident | 82 | Confident | 92 Ų | 92 | 63.3 Ų | 63.3 | 47% | 0.472 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 126.7 | 178.5 | -57.9 | 172.5 | 0 | 0 | 0 | 107.7 | ||
| 210 | G | 76.1 | Confident | 82.3 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 6% | 0.062 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 128.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G212 N213 W215 L234 | G210-G212 VanDerWaalsContact C-N 3.3Å; G210-G212 PolarHBondContact O-N 2.98Å; G210-N213 PolarHBondContact N-O 2.87Å; G210-N213 PolarHBondContact O-N 2.95Å; G210-N213 VanDerWaalsContact O-N 3.14Å; G210-W215 PolarHBondContact O-NE1 3.34Å; G210-W215 VanDerWaalsContact O-NE1 3.09Å; G210-L234 VanDerWaalsContact C-CD2 3.42Å |
| 211 | G | 71.9 | Confident | 82.4 | Confident | 40 Ų | 40 | 60.2 Ų | 60.2 | 41% | 0.412 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 26.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | N213 D236 | G211-N213 PolarHBondContact O-N 3.42Å; G211-D236 WeakPolarHBondContact CA-OD1 3.12Å; G211-D236 WeakPolarHBondContact CA-OD2 3.46Å; G211-D236 PolarHBondContact N-OD2 2.94Å; G211-D236 VanDerWaalsContact N-OD2 3.14Å |
| 212 | G | 78.1 | Confident | 82.5 | Confident | 75 Ų | 75 | 58 Ų | 58 | 77% | 0.773 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 0.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G210 | G210-G212 VanDerWaalsContact C-N 3.3Å; G210-G212 PolarHBondContact O-N 2.98Å |
| 213 | N | 81.9 | Confident | 82.5 | Confident | 78 Ų | 78 | 60 Ų | 60 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 158 | 176.9 | -67.6 | -55.7 | 0 | 0 | 0 | 111.6 | G210 G211 W215 | G210-N213 PolarHBondContact N-O 2.87Å; G210-N213 PolarHBondContact O-N 2.95Å; G210-N213 VanDerWaalsContact O-N 3.14Å; G211-N213 PolarHBondContact O-N 3.42Å; N213-W215 VanDerWaalsContact O-CD1 3.26Å |
| 214 | S | 85.6 | Confident | 82.7 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 11% | 0.105 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 130.4 | 179.3 | -53.5 | 0 | 0 | 0 | 0 | 110.8 | E193 C195 | E193-S214 WeakPolarHBondContact CB-OG 3.43Å; E193-S214 WeakPolarHBondContact OE2-CB 3.09Å; E193-S214 PolarHBondContact OE2-OG 3.3Å; C195-S214 VanDerWaalsContact CA-O 3.28Å; C195-S214 WeakPolarHBondContact CA-O 3.42Å |
| 215 | W | 87.1 | Confident | 83.1 | Confident | 5 Ų | 5 | 57.5 Ų | 57.5 | 2% | 0.019 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 153.7 | -175.1 | -56.6 | 78.8 | 0 | 0 | 0 | 110.2 | P196 R197 V208 G210 N213 F220 I241 | P196-W215 HydrophobicContact CG-CD2 4.23Å; P196-W215 HydrophobicContact CG-CE3 4.22Å; P196-W215 HydrophobicContact CG-CH2 3.5Å; P196-W215 VanDerWaalsContact CG-CH2 3.5Å; P196-W215 HydrophobicContact CG-CZ2 3.49Å; P196-W215 VanDerWaalsContact CG-CZ2 3.49Å; P196-W215 HydrophobicContact CG-CZ3 3.89Å; R197-W215 HydrophobicContact CB-CE3 4.23Å; R197-W215 HydrophobicContact CB-CZ3 3.81Å; V208-W215 PolarHBondContact N-O 3.31Å; V208-W215 PolarHBondContact O-N 3.18Å; G210-W215 PolarHBondContact O-NE1 3.34Å; G210-W215 VanDerWaalsContact O-NE1 3.09Å; N213-W215 VanDerWaalsContact O-CD1 3.26Å; W215-F220 HydrophobicContact CB-CB 4.21Å; W215-F220 HydrophobicContact CB-CD2 3.77Å; W215-F220 HydrophobicContact CB-CG 4.44Å; W215-F220 AromaticContact CD1-CD2 3.93Å; W215-F220 HydrophobicContact CD2-CD2 4.23Å; W215-F220 AromaticContact CG-CD2 3.72Å; W215-F220 HydrophobicContact CG-CD2 3.72Å; W215-F220 HydrophobicContact CG-CE2 4.37Å; W215-I241 HydrophobicContact CE3-CD1 4.25Å; W215-I241 HydrophobicContact CH2-CG1 4.38Å; W215-I241 HydrophobicContact CH2-CG2 3.75Å; W215-I241 HydrophobicContact CZ2-CG2 3.49Å; W215-I241 VanDerWaalsContact CZ2-CG2 3.49Å; W215-I241 HydrophobicContact CZ3-CD1 4.15Å; W215-I241 HydrophobicContact CZ3-CG1 4.39Å; W215-I241 HydrophobicContact CZ3-CG2 4.4Å |
| 216 | H | 87.9 | Confident | 83.2 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 9% | 0.093 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 147.2 | 165.8 | -53.5 | 92.6 | 0 | 0 | 0 | 110.4 | C195 C198 K200 T201 E206 G218 C219 F220 | C195-H216 VanDerWaalsContact CB-CE1 3.41Å; C195-H216 WeakPolarHBondContact CB-CE1 3.47Å; C195-H216 VanDerWaalsContact CB-ND1 3.32Å; C195-H216 WeakPolarHBondContact CB-ND1 3.5Å; C198-H216 PolarHBondContact SG-CE1 3.48Å; C198-H216 PolarHBondContact SG-ND1 3.23Å; K200-H216 PolarHBondContact O-CE1 3.2Å; T201-H216 PolarHBondContact O-NE2 3.3Å; T201-H216 VanDerWaalsContact O-NE2 3.17Å; E206-H216 IonicContact OE2-CD2 3.93Å; H216-G218 PolarHBondContact O-N 2.61Å; H216-G218 VanDerWaalsContact O-N 3.09Å; H216-C219 HydrophobicContact CB-CB 4.01Å; H216-C219 PolarHBondContact O-N 3.5Å; H216-F220 WeakPolarHBondContact O-CB 3.46Å; H216-F220 PolarHBondContact O-N 3.42Å |
| 217 | K | 82.5 | Confident | 83.4 | Confident | 135 Ų | 135 | 57.7 Ų | 57.7 | 59% | 0.587 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47 | -38.8 | 169.5 | -67.4 | 171.7 | -174.9 | -76 | 0 | 112.8 | A205 E206 V208 | A205-K217 VanDerWaalsContact O-CE 3.3Å; A205-K217 WeakPolarHBondContact O-CE 3.46Å; E206-K217 PolarHBondContact O-N 3.21Å; E206-K217 VanDerWaalsContact O-N 3.15Å; V208-K217 HydrophobicContact CG2-CB 4.43Å; V208-K217 HydrophobicContact CG2-CG 3.69Å |
| 218 | G | 84.1 | Confident | 83.4 | Confident | 40 Ų | 40 | 55.9 Ų | 55.9 | 41% | 0.412 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -31.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | H216 R221 | H216-G218 PolarHBondContact O-N 2.61Å; H216-G218 VanDerWaalsContact O-N 3.09Å; G218-R221 PolarHBondContact O-NE 3.46Å |
| 219 | C | 85.6 | Confident | 83.1 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 17% | 0.169 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -20.6 | -177.6 | -67.9 | 0 | 0 | 0 | 0 | 112.7 | R197 H216 R221 | R197-C219 HydrophobicContact CB-CB 4.4Å; R197-C219 WeakPolarHBondContact CD-O 3.35Å; R197-C219 PolarHBondContact NH1-O 2.82Å; H216-C219 HydrophobicContact CB-CB 4.01Å; H216-C219 PolarHBondContact O-N 3.5Å; C219-R221 PolarHBondContact O-N 2.59Å |
| 220 | F | 85.2 | Confident | 82.5 | Confident | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.013 | 35% | 0.35 | C | S | . | . | trans | -77.5 | 70 | -176 | -162.6 | -102.8 | 0 | 0 | 0 | 112 | V208 W215 H216 G228 L229 L234 I241 | V208-F220 HydrophobicContact CG1-CD1 4.19Å; V208-F220 HydrophobicContact CG1-CD2 4.31Å; V208-F220 HydrophobicContact CG1-CE1 4.26Å; V208-F220 HydrophobicContact CG1-CE2 4.39Å; V208-F220 HydrophobicContact CG1-CG 4.2Å; V208-F220 HydrophobicContact CG1-CZ 4.34Å; W215-F220 HydrophobicContact CB-CB 4.21Å; W215-F220 HydrophobicContact CB-CD2 3.77Å; W215-F220 HydrophobicContact CB-CG 4.44Å; W215-F220 AromaticContact CD1-CD2 3.93Å; W215-F220 HydrophobicContact CD2-CD2 4.23Å; W215-F220 AromaticContact CG-CD2 3.72Å; W215-F220 HydrophobicContact CG-CD2 3.72Å; W215-F220 HydrophobicContact CG-CE2 4.37Å; H216-F220 WeakPolarHBondContact O-CB 3.46Å; H216-F220 PolarHBondContact O-N 3.42Å; F220-G228 WeakPolarHBondContact O-CA 3.23Å; F220-L229 VanDerWaalsContact CD1-C 3.49Å; F220-L229 HydrophobicContact CD1-CB 3.71Å; F220-L229 WeakPolarHBondContact CD1-O 3.42Å; F220-L229 HydrophobicContact CE1-CB 3.37Å; F220-L229 WeakPolarHBondContact CE1-O 3.43Å; F220-L229 HydrophobicContact CZ-CB 4.25Å; F220-L229 PolarHBondContact O-N 3.4Å; F220-L234 HydrophobicContact CE2-CD1 4.29Å; F220-L234 HydrophobicContact CE2-CD2 3.74Å; F220-L234 HydrophobicContact CZ-CB 4.12Å; F220-L234 HydrophobicContact CZ-CD1 4.07Å; F220-L234 HydrophobicContact CZ-CD2 3.72Å; F220-L234 HydrophobicContact CZ-CG 4.19Å; F220-I241 HydrophobicContact CD2-CD1 3.99Å; F220-I241 HydrophobicContact CE2-CD1 4.46Å; F220-I241 HydrophobicContact CG-CD1 4.31Å | ||
| 221 | R | 86.9 | Confident | 82.1 | Confident | 132 Ų | 132 | 60.8 Ų | 60.8 | 50% | 0.498 | 37% | 0.368 | S | S | . | . | B | Isolated β-bridge | trans | -128.3 | 139.8 | -178 | -56.6 | -178.3 | -169.9 | -170.6 | -1.9 | 111.4 | R197 G218 C219 A223 K227 I241 | R197-R221 PolarHBondContact NH1-O 2.85Å; R197-R221 PolarHBondContact NH2-O 3.21Å; G218-R221 PolarHBondContact O-NE 3.46Å; C219-R221 PolarHBondContact O-N 2.59Å; R221-A223 PolarHBondContact O-N 2.98Å; R221-K227 WeakPolarHBondContact CA-O 3.44Å; R221-I241 VanDerWaalsContact N-CD1 3.34Å; R221-I241 VanDerWaalsContact O-CD1 3.23Å; R221-I241 WeakPolarHBondContact O-CD1 3.32Å; R221-I241 WeakPolarHBondContact O-CG1 3.43Å |
| 222 | C | 87.7 | Confident | 81.8 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.014 | 39% | 0.386 | C | S | . | . | trans | -59 | 133.2 | 176.9 | -179.8 | 0 | 0 | 0 | 0 | 112 | K224 C225 G226 K227 L229 I241 C243 C246 | C222-K224 VanDerWaalsContact C-N 3.28Å; C222-K224 PolarHBondContact O-N 2.83Å; C222-K224 PolarHBondContact SG-N 2.81Å; C222-C225 WeakPolarHBondContact CB-SG 3.16Å; C222-C225 VanDerWaalsContact SG-SG 3.62Å; C222-G226 VanDerWaalsContact O-CA 3.29Å; C222-G226 WeakPolarHBondContact O-CA 3.29Å; C222-G226 PolarHBondContact O-N 3.29Å; C222-K227 PolarHBondContact N-O 2.87Å; C222-L229 HydrophobicContact CB-CD1 3.95Å; C222-I241 WeakPolarHBondContact CA-O 3.26Å; C222-C243 HydrophobicContact CB-CB 4.12Å; C222-C243 PolarHBondContact SG-N 2.92Å; C222-C243 VanDerWaalsContact SG-N 3.35Å; C222-C246 PolarHBondContact SG-SG 3.24Å | ||
| 223 | A | 83.6 | Confident | 81.2 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 41% | 0.405 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -26.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R221 I241 Y242 | R221-A223 PolarHBondContact O-N 2.98Å; A223-I241 PolarHBondContact N-O 2.89Å; A223-I241 VanDerWaalsContact N-O 3.14Å; A223-Y242 HydrophobicContact CB-CE1 4.41Å |
| 224 | K | 85.8 | Confident | 80.7 | Confident | 132 Ų | 132 | 63.2 Ų | 63.2 | 57% | 0.574 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -41.9 | -178.3 | -64.3 | -61.8 | -172 | -168.8 | 0 | 114 | C222 Y242 C246 | C222-K224 VanDerWaalsContact C-N 3.28Å; C222-K224 PolarHBondContact O-N 2.83Å; C222-K224 PolarHBondContact SG-N 2.81Å; K224-Y242 HydrophobicContact CD-CE1 4.43Å; K224-Y242 HydrophobicContact CG-CD1 3.97Å; K224-Y242 HydrophobicContact CG-CE1 3.75Å; K224-C246 HydrophobicContact CB-CB 4.48Å |
| 225 | C | 85.6 | Confident | 80.3 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 45% | 0.453 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -4.7 | -173 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | C222 K227 C246 | C222-C225 WeakPolarHBondContact CB-SG 3.16Å; C222-C225 VanDerWaalsContact SG-SG 3.62Å; C225-K227 PolarHBondContact O-N 3Å; C225-K227 VanDerWaalsContact SG-CB 3.59Å; C225-C246 PolarHBondContact SG-SG 2.83Å |
| 226 | G | 82 | Confident | 80 | Confident | 45 Ų | 45 | 66.1 Ų | 66.1 | 46% | 0.464 | 38% | 0.379 | S | S | . | . | trans | 66.1 | -2.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | C222 G228 | C222-G226 VanDerWaalsContact O-CA 3.29Å; C222-G226 WeakPolarHBondContact O-CA 3.29Å; C222-G226 PolarHBondContact O-N 3.29Å; G226-G228 PolarHBondContact O-N 3.47Å | ||
| 227 | K | 83.5 | Confident | 79.3 | Confident | 143 Ų | 143 | 71.3 Ų | 71.3 | 62% | 0.622 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -66 | 130.3 | 179.1 | -174.5 | 178.8 | -90.7 | -83.2 | 0 | 109.7 | R221 C222 C225 L229 | R221-K227 WeakPolarHBondContact CA-O 3.44Å; C222-K227 PolarHBondContact N-O 2.87Å; C225-K227 PolarHBondContact O-N 3Å; C225-K227 VanDerWaalsContact SG-CB 3.59Å; K227-L229 PolarHBondContact O-N 3.46Å |
| 228 | G | 83.2 | Confident | 78.6 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 52% | 0.515 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -59.6 | 127.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | F220 G226 | F220-G228 WeakPolarHBondContact O-CA 3.23Å; G226-G228 PolarHBondContact O-N 3.47Å |
| 229 | L | 77.6 | Confident | 78.1 | Confident | 16 Ų | 16 | 71.8 Ų | 71.8 | 8% | 0.084 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -94.2 | 163.2 | 176.7 | -74.5 | 161.4 | 0 | 0 | 0 | 109.2 | F220 C222 K227 L234 C243 | F220-L229 VanDerWaalsContact CD1-C 3.49Å; F220-L229 HydrophobicContact CD1-CB 3.71Å; F220-L229 WeakPolarHBondContact CD1-O 3.42Å; F220-L229 HydrophobicContact CE1-CB 3.37Å; F220-L229 WeakPolarHBondContact CE1-O 3.43Å; F220-L229 HydrophobicContact CZ-CB 4.25Å; F220-L229 PolarHBondContact O-N 3.4Å; C222-L229 HydrophobicContact CB-CD1 3.95Å; K227-L229 PolarHBondContact O-N 3.46Å; L229-L234 HydrophobicContact CD1-CD1 4.13Å; L229-C243 HydrophobicContact CD1-CB 4.37Å; L229-C243 HydrophobicContact CD2-CB 3.74Å; L229-C243 HydrophobicContact CG-CB 4.48Å |
| 230 | E | 71.6 | Confident | 77.7 | Confident | 141 Ų | 141 | 75.2 Ų | 75.2 | 66% | 0.659 | 42% | 0.424 | S | S | * | . | trans | -113.4 | 148 | 167.3 | -72.1 | -68.8 | 131.9 | 0 | 0 | 107.6 | T232 T233 | E230-T232 PolarHBondContact O-N 3.49Å; E230-T233 PolarHBondContact O-N 2.89Å | ||
| 231 | S | 67 | Low | 77.7 | Confident | 63 Ų | 63 | 75 Ų | 75 | 44% | 0.441 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -50 | -25.2 | -171.3 | 43.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 232 | T | 65.3 | Low | 77.7 | Confident | 128 Ų | 128 | 69.3 Ų | 69.3 | 79% | 0.785 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -78.3 | -17.6 | -177.9 | -49.7 | 0 | 0 | 0 | 0 | 115 | E230 | E230-T232 PolarHBondContact O-N 3.49Š|
| 233 | T | 65.5 | Low | 77.6 | Confident | 80 Ų | 80 | 70.1 Ų | 70.1 | 49% | 0.491 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -127.7 | 32.8 | -169.5 | 59.3 | 0 | 0 | 0 | 0 | 114.7 | E230 | E230-T233 PolarHBondContact O-N 2.89Š|
| 234 | L | 72.5 | Confident | 77.6 | Confident | 36 Ų | 36 | 75.8 Ų | 75.8 | 19% | 0.188 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 141.6 | -175.5 | 175 | 68.1 | 0 | 0 | 0 | 112.4 | G210 F220 L229 D236 I241 | G210-L234 VanDerWaalsContact C-CD2 3.42Å; F220-L234 HydrophobicContact CE2-CD1 4.29Å; F220-L234 HydrophobicContact CE2-CD2 3.74Å; F220-L234 HydrophobicContact CZ-CB 4.12Å; F220-L234 HydrophobicContact CZ-CD1 4.07Å; F220-L234 HydrophobicContact CZ-CD2 3.72Å; F220-L234 HydrophobicContact CZ-CG 4.19Å; L229-L234 HydrophobicContact CD1-CD1 4.13Å; L234-D236 VanDerWaalsContact CD2-OD1 3.3Å; L234-D236 WeakPolarHBondContact CD2-OD1 3.5Å; L234-D236 WeakPolarHBondContact CD2-OD2 3.03Å; L234-D236 WeakPolarHBondContact CG-OD2 3.29Å; L234-I241 HydrophobicContact CD1-CB 3.51Å; L234-I241 HydrophobicContact CD1-CG2 3.66Å; L234-I241 HydrophobicContact CD2-CG2 4.43Å |
| 235 | A | 75.6 | Confident | 77.6 | Confident | 21 Ų | 21 | 71.4 Ų | 71.4 | 17% | 0.174 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 120 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y242 Y247 | A235-Y242 PolarHBondContact N-O 3.23Å; A235-Y242 PolarHBondContact O-N 3.49Å; A235-Y247 HydrophobicContact CB-CD1 4.21Å; A235-Y247 HydrophobicContact CB-CD2 3.58Å; A235-Y247 HydrophobicContact CB-CE2 4.1Å; A235-Y247 HydrophobicContact CB-CG 3.65Å |
| 236 | D | 80.5 | Confident | 77.6 | Confident | 61 Ų | 61 | 68.8 Ų | 68.8 | 33% | 0.326 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 128 | 177.7 | -58.5 | -83.1 | 0 | 0 | 0 | 110 | G211 L234 I241 | G211-D236 WeakPolarHBondContact CA-OD1 3.12Å; G211-D236 WeakPolarHBondContact CA-OD2 3.46Å; G211-D236 PolarHBondContact N-OD2 2.94Å; G211-D236 VanDerWaalsContact N-OD2 3.14Å; L234-D236 VanDerWaalsContact CD2-OD1 3.3Å; L234-D236 WeakPolarHBondContact CD2-OD1 3.5Å; L234-D236 WeakPolarHBondContact CD2-OD2 3.03Å; L234-D236 WeakPolarHBondContact CG-OD2 3.29Å; D236-I241 WeakPolarHBondContact OD1-CG2 3.38Å |
| 237 | R | 73.9 | Confident | 77.8 | Confident | 128 Ų | 128 | 70.6 Ų | 70.6 | 48% | 0.483 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 122.8 | 173 | -168.4 | 67.4 | -161.8 | 179.7 | -1.7 | 108.9 | G239 E240 Y242 Y247 | R237-G239 VanDerWaalsContact C-N 3.26Å; R237-G239 PolarHBondContact O-N 2.9Å; R237-E240 PolarHBondContact N-O 3.31Å; R237-E240 PolarHBondContact O-N 2.95Å; R237-Y242 HydrophobicContact CB-CD2 4.3Å; R237-Y242 HydrophobicContact CB-CE2 4.22Å; R237-Y247 HydrophobicContact CB-CE2 4.36Å |
| 238 | D | 67.7 | Low | 77.9 | Confident | 133 Ų | 133 | 66.6 Ų | 66.6 | 71% | 0.711 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 33.2 | 177.5 | -57.2 | -58.5 | 0 | 0 | 0 | 114.7 | E240 | D238-E240 PolarHBondContact O-N 3.25Š|
| 239 | G | 73.1 | Confident | 78 | Confident | 53 Ų | 53 | 72.3 Ų | 72.3 | 55% | 0.546 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 1.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R237 | R237-G239 VanDerWaalsContact C-N 3.26Å; R237-G239 PolarHBondContact O-N 2.9Å |
| 240 | E | 78.2 | Confident | 78.2 | Confident | 96 Ų | 96 | 76 Ų | 76 | 45% | 0.449 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 140.7 | 174.1 | -66.3 | 178.8 | 118 | 0 | 0 | 111.5 | R237 D238 Y242 | R237-E240 PolarHBondContact N-O 3.31Å; R237-E240 PolarHBondContact O-N 2.95Å; D238-E240 PolarHBondContact O-N 3.25Å; E240-Y242 HydrophobicContact CB-CE2 3.64Å; E240-Y242 WeakPolarHBondContact O-CD2 3.45Å; E240-Y242 PolarHBondContact OE2-OH 3.16Å |
| 241 | I | 84.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.9 | -176.6 | 56.8 | 169.6 | 0 | 0 | 0 | 111.8 | W215 F220 R221 C222 A223 L234 D236 | W215-I241 HydrophobicContact CE3-CD1 4.25Å; W215-I241 HydrophobicContact CH2-CG1 4.38Å; W215-I241 HydrophobicContact CH2-CG2 3.75Å; W215-I241 HydrophobicContact CZ2-CG2 3.49Å; W215-I241 VanDerWaalsContact CZ2-CG2 3.49Å; W215-I241 HydrophobicContact CZ3-CD1 4.15Å; W215-I241 HydrophobicContact CZ3-CG1 4.39Å; W215-I241 HydrophobicContact CZ3-CG2 4.4Å; F220-I241 HydrophobicContact CD2-CD1 3.99Å; F220-I241 HydrophobicContact CE2-CD1 4.46Å; F220-I241 HydrophobicContact CG-CD1 4.31Å; R221-I241 VanDerWaalsContact N-CD1 3.34Å; R221-I241 VanDerWaalsContact O-CD1 3.23Å; R221-I241 WeakPolarHBondContact O-CD1 3.32Å; R221-I241 WeakPolarHBondContact O-CG1 3.43Å; C222-I241 WeakPolarHBondContact CA-O 3.26Å; A223-I241 PolarHBondContact N-O 2.89Å; A223-I241 VanDerWaalsContact N-O 3.14Å; L234-I241 HydrophobicContact CD1-CB 3.51Å; L234-I241 HydrophobicContact CD1-CG2 3.66Å; L234-I241 HydrophobicContact CD2-CG2 4.43Å; D236-I241 WeakPolarHBondContact OD1-CG2 3.38Å |
| 242 | Y | 86.4 | Confident | 79.4 | Confident | 11 Ų | 11 | 72.1 Ų | 72.1 | 4% | 0.043 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 147.5 | -178.5 | -63.3 | -84.2 | 0 | 0 | 0 | 112.6 | A223 K224 A235 R237 E240 F251 | A223-Y242 HydrophobicContact CB-CE1 4.41Å; K224-Y242 HydrophobicContact CD-CE1 4.43Å; K224-Y242 HydrophobicContact CG-CD1 3.97Å; K224-Y242 HydrophobicContact CG-CE1 3.75Å; A235-Y242 PolarHBondContact N-O 3.23Å; A235-Y242 PolarHBondContact O-N 3.49Å; R237-Y242 HydrophobicContact CB-CD2 4.3Å; R237-Y242 HydrophobicContact CB-CE2 4.22Å; E240-Y242 HydrophobicContact CB-CE2 3.64Å; E240-Y242 WeakPolarHBondContact O-CD2 3.45Å; E240-Y242 PolarHBondContact OE2-OH 3.16Å; Y242-F251 HydrophobicContact CD1-CE2 4.41Å; Y242-F251 HydrophobicContact CD2-CE2 4.38Å; Y242-F251 HydrophobicContact CE1-CE2 4.28Å; Y242-F251 HydrophobicContact CE2-CE2 4.27Å; Y242-F251 HydrophobicContact CG-CE2 4.45Å |
| 243 | C | 87.4 | Confident | 80.1 | Confident | 19 Ų | 19 | 72.5 Ų | 72.5 | 13% | 0.128 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 146.1 | 171.4 | 88.4 | 0 | 0 | 0 | 0 | 110.1 | C222 L229 G245 C246 Y247 | C222-C243 HydrophobicContact CB-CB 4.12Å; C222-C243 PolarHBondContact SG-N 2.92Å; C222-C243 VanDerWaalsContact SG-N 3.35Å; L229-C243 HydrophobicContact CD1-CB 4.37Å; L229-C243 HydrophobicContact CD2-CB 3.74Å; L229-C243 HydrophobicContact CG-CB 4.48Å; C243-G245 PolarHBondContact O-N 3.08Å; C243-G245 VanDerWaalsContact O-N 3.1Å; C243-C246 HydrophobicContact CB-CB 4.13Å; C243-C246 WeakPolarHBondContact CB-SG 3.27Å; C243-C246 CarbonylContact O-C 3.59Å; C243-C246 WeakPolarHBondContact O-CA 3.27Å; C243-C246 WeakPolarHBondContact O-CB 3.37Å; C243-C246 PolarHBondContact O-N 3.49Å; C243-C246 WeakPolarHBondContact SG-CB 3.37Å; C243-C246 PolarHBondContact SG-N 3.08Å; C243-C246 CovalentContact SG-SG 2.08Å; C243-C246 PolarHBondContact SG-SG 3.41Å; C243-Y247 WeakPolarHBondContact O-CB 3.45Å; C243-Y247 PolarHBondContact O-N 2.96Å |
| 244 | K | 82.5 | Confident | 80.3 | Confident | 169 Ų | 169 | 78 Ų | 78 | 74% | 0.735 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -49 | -42 | 177.7 | -174.7 | -177.4 | 179.8 | -178.1 | 0 | 113 | A248 | K244-A248 WeakPolarHBondContact O-CB 3.46Å; K244-A248 PolarHBondContact O-N 2.9Å |
| 245 | G | 85.9 | Confident | 79.9 | Confident | 40 Ų | 40 | 79.8 Ų | 79.8 | 41% | 0.412 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.6 | -34.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | C243 K249 | C243-G245 PolarHBondContact O-N 3.08Å; C243-G245 VanDerWaalsContact O-N 3.1Å; G245-K249 WeakPolarHBondContact O-CB 3.49Å; G245-K249 WeakPolarHBondContact O-CD 3.3Å; G245-K249 WeakPolarHBondContact O-CG 3.15Å; G245-K249 PolarHBondContact O-N 3.05Å |
| 246 | C | 85.6 | Confident | 79.2 | Confident | 12 Ų | 12 | 88.8 Ų | 88.8 | 8% | 0.081 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -73.9 | -42.5 | 177.5 | -50 | 0 | 0 | 0 | 0 | 109.8 | C222 K224 C225 C243 K249 N250 | C222-C246 PolarHBondContact SG-SG 3.24Å; K224-C246 HydrophobicContact CB-CB 4.48Å; C225-C246 PolarHBondContact SG-SG 2.83Å; C243-C246 HydrophobicContact CB-CB 4.13Å; C243-C246 WeakPolarHBondContact CB-SG 3.27Å; C243-C246 CarbonylContact O-C 3.59Å; C243-C246 WeakPolarHBondContact O-CA 3.27Å; C243-C246 WeakPolarHBondContact O-CB 3.37Å; C243-C246 PolarHBondContact O-N 3.49Å; C243-C246 WeakPolarHBondContact SG-CB 3.37Å; C243-C246 PolarHBondContact SG-N 3.08Å; C243-C246 CovalentContact SG-SG 2.08Å; C243-C246 PolarHBondContact SG-SG 3.41Å; C246-K249 PolarHBondContact O-N 3.15Å; C246-N250 WeakPolarHBondContact O-CB 3.26Å; C246-N250 PolarHBondContact O-N 2.89Å; C246-N250 PolarHBondContact O-OD1 3Å |
| 247 | Y | 87 | Confident | 77.9 | Confident | 83 Ų | 83 | 88.9 Ų | 88.9 | 33% | 0.325 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 177.7 | -172.2 | -94.3 | 0 | 0 | 0 | 111.1 | A235 R237 C243 K249 N250 F251 G252 | A235-Y247 HydrophobicContact CB-CD1 4.21Å; A235-Y247 HydrophobicContact CB-CD2 3.58Å; A235-Y247 HydrophobicContact CB-CE2 4.1Å; A235-Y247 HydrophobicContact CB-CG 3.65Å; R237-Y247 HydrophobicContact CB-CE2 4.36Å; C243-Y247 WeakPolarHBondContact O-CB 3.45Å; C243-Y247 PolarHBondContact O-N 2.96Å; Y247-K249 VanDerWaalsContact C-N 3.35Å; Y247-K249 PolarHBondContact O-N 2.81Å; Y247-N250 PolarHBondContact O-N 3.34Å; Y247-F251 HydrophobicContact CD2-CB 4.43Å; Y247-F251 AromaticContact CD2-CD2 3.66Å; Y247-F251 HydrophobicContact CD2-CD2 3.66Å; Y247-F251 HydrophobicContact CD2-CE2 4.36Å; Y247-F251 HydrophobicContact CD2-CG 4.39Å; Y247-F251 HydrophobicContact CE2-CB 4.22Å; Y247-F251 AromaticContact CE2-CD2 3.95Å; Y247-F251 HydrophobicContact CE2-CD2 3.95Å; Y247-F251 HydrophobicContact CE2-CG 4.3Å; Y247-F251 HydrophobicContact CG-CD2 4.29Å; Y247-F251 CarbonylContact O-C 3.6Å; Y247-F251 WeakPolarHBondContact O-CA 3.36Å; Y247-F251 WeakPolarHBondContact O-CB 3.19Å; Y247-F251 PolarHBondContact O-N 2.8Å; Y247-G252 PolarHBondContact O-N 3.13Å |
| 248 | A | 85.2 | Confident | 77 | Confident | 58 Ų | 58 | 93 Ų | 93 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.4 | -35.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | K244 G252 | K244-A248 WeakPolarHBondContact O-CB 3.46Å; K244-A248 PolarHBondContact O-N 2.9Å; A248-G252 WeakPolarHBondContact O-CA 3.47Å; A248-G252 PolarHBondContact O-N 3.09Å |
| 249 | K | 84 | Confident | 76.5 | Confident | 170 Ų | 170 | 90.2 Ų | 90.2 | 74% | 0.739 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -73.1 | -37.7 | 179.3 | -74.8 | 173.8 | -175.6 | -173.8 | 0 | 113.2 | G245 C246 Y247 | G245-K249 WeakPolarHBondContact O-CB 3.49Å; G245-K249 WeakPolarHBondContact O-CD 3.3Å; G245-K249 WeakPolarHBondContact O-CG 3.15Å; G245-K249 PolarHBondContact O-N 3.05Å; C246-K249 PolarHBondContact O-N 3.15Å; Y247-K249 VanDerWaalsContact C-N 3.35Å; Y247-K249 PolarHBondContact O-N 2.81Å |
| 250 | N | 82.9 | Confident | 75.8 | Confident | 93 Ų | 93 | 96.8 Ų | 96.8 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -92.5 | -34.4 | -175.5 | -76.1 | 87.4 | 0 | 0 | 0 | 113.2 | C246 Y247 | C246-N250 WeakPolarHBondContact O-CB 3.26Å; C246-N250 PolarHBondContact O-N 2.89Å; C246-N250 PolarHBondContact O-OD1 3Å; Y247-N250 PolarHBondContact O-N 3.34Å |
| 251 | F | 82.4 | Confident | 74.6 | Confident | 98 Ų | 98 | 95.8 Ų | 95.8 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -124.9 | -0 | -172.1 | -51.7 | -75 | 0 | 0 | 0 | 113.6 | Y242 Y247 | Y242-F251 HydrophobicContact CD1-CE2 4.41Å; Y242-F251 HydrophobicContact CD2-CE2 4.38Å; Y242-F251 HydrophobicContact CE1-CE2 4.28Å; Y242-F251 HydrophobicContact CE2-CE2 4.27Å; Y242-F251 HydrophobicContact CG-CE2 4.45Å; Y247-F251 HydrophobicContact CD2-CB 4.43Å; Y247-F251 AromaticContact CD2-CD2 3.66Å; Y247-F251 HydrophobicContact CD2-CD2 3.66Å; Y247-F251 HydrophobicContact CD2-CE2 4.36Å; Y247-F251 HydrophobicContact CD2-CG 4.39Å; Y247-F251 HydrophobicContact CE2-CB 4.22Å; Y247-F251 AromaticContact CE2-CD2 3.95Å; Y247-F251 HydrophobicContact CE2-CD2 3.95Å; Y247-F251 HydrophobicContact CE2-CG 4.3Å; Y247-F251 HydrophobicContact CG-CD2 4.29Å; Y247-F251 CarbonylContact O-C 3.6Å; Y247-F251 WeakPolarHBondContact O-CA 3.36Å; Y247-F251 WeakPolarHBondContact O-CB 3.19Å; Y247-F251 PolarHBondContact O-N 2.8Å |
| 252 | G | 81.4 | Confident | 73.5 | Confident | 25 Ų | 25 | 100.8 Ų | 100.8 | 26% | 0.258 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -69 | 152.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y247 A248 K254 | Y247-G252 PolarHBondContact O-N 3.13Å; A248-G252 WeakPolarHBondContact O-CA 3.47Å; A248-G252 PolarHBondContact O-N 3.09Å; G252-K254 PolarHBondContact O-N 3.22Å |
| 253 | P | 78.9 | Confident | 72 | Confident | 136 Ų | 136 | 104.2 Ų | 104.2 | 88% | 0.883 | 63% | 0.631 | S | S | * | * | trans | -58.3 | 112.2 | 173.2 | 25.2 | -32.6 | 0 | 0 | 0 | 108.4 | G255 | P253-G255 VanDerWaalsContact C-N 3.3Å; P253-G255 PolarHBondContact O-N 3.32Å | ||
| 254 | K | 71.4 | Confident | 70.8 | Confident | 196 Ų | 196 | 107.3 Ų | 107.3 | 85% | 0.852 | 66% | 0.659 | S | S | * | * | trans | -69.2 | 93 | 172.4 | -109.5 | 168.1 | 176.5 | 164.4 | 0 | 107.2 | G252 F256 | G252-K254 PolarHBondContact O-N 3.22Å; K254-F256 PolarHBondContact O-N 3.29Å | ||
| 255 | G | 62.6 | Low | 69.3 | Low | 74 Ų | 74 | 107.8 Ų | 107.8 | 76% | 0.763 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 119.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | P253 | P253-G255 VanDerWaalsContact C-N 3.3Å; P253-G255 PolarHBondContact O-N 3.32Å |
| 256 | F | 61.9 | Low | 68 | Low | 209 Ų | 209 | 110.8 Ų | 110.8 | 92% | 0.917 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 143.2 | 173.3 | -158.4 | -97.4 | 0 | 0 | 0 | 109.3 | K254 | K254-F256 PolarHBondContact O-N 3.29Š|
| 257 | G | 52.5 | Low | 66.1 | Low | 64 Ų | 64 | 118.8 Ų | 118.8 | 66% | 0.66 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 152.7 | -159.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | G259 | G257-G259 PolarHBondContact O-N 3.13Š|
| 258 | F | 55.8 | Low | 64.4 | Low | 213 Ų | 213 | 120.1 Ų | 120.1 | 93% | 0.934 | 75% | 0.746 | S | S | * | * | trans | -80.4 | 109.8 | 160.5 | -66.9 | -83.6 | 0 | 0 | 0 | 108.1 | Q260 | F258-Q260 PolarHBondContact O-N 3.43Š| ||
| 259 | G | 56.7 | Low | 63.4 | Low | 75 Ų | 75 | 129.5 Ų | 129.5 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -70.9 | 120 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | G257 G261 | G257-G259 PolarHBondContact O-N 3.13Å; G259-G261 PolarHBondContact O-N 3.32Å | ||
| 260 | Q | 59.4 | Low | 62.3 | Low | 191 Ų | 191 | 127.5 Ų | 127.5 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -69.9 | 96.4 | 169.8 | -156.1 | 79.5 | 40.4 | 0 | 0 | 108 | F258 A262 | F258-Q260 PolarHBondContact O-N 3.43Å; Q260-A262 PolarHBondContact O-N 3.43Å | ||
| 261 | G | 51.7 | Low | 61.3 | Low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -75.4 | 111 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G259 G263 | G259-G261 PolarHBondContact O-N 3.32Å; G261-G263 PolarHBondContact O-N 2.96Å | ||
| 262 | A | 62.1 | Low | 60.1 | Low | 106 Ų | 106 | 131 Ų | 131 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | trans | -75.9 | 101.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109 | Q260 | Q260-A262 PolarHBondContact O-N 3.43Š| ||
| 263 | G | 55.3 | Low | 58.8 | Low | 82 Ų | 82 | 137.2 Ų | 137.2 | 85% | 0.845 | 85% | 0.85 | S | S | * | * | trans | -93.7 | 94.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | G261 | G261-G263 PolarHBondContact O-N 2.96Š| ||
| 264 | A | 61.1 | Low | 57.6 | Low | 85 Ų | 85 | 137.3 Ų | 137.3 | 70% | 0.702 | 85% | 0.848 | S | S | * | * | trans | -100.7 | 128.4 | 157 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 265 | L | 52.4 | Low | 56.7 | Low | 179 Ų | 179 | 133.4 Ų | 133.4 | 94% | 0.937 | 85% | 0.848 | S | S | * | * | trans | -168.1 | 133.5 | 131.6 | -79.8 | -160.3 | 0 | 0 | 0 | 109 | ||||
| 266 | A | 58.6 | Low | 56.2 | Low | 102 Ų | 102 | 137.6 Ų | 137.6 | 84% | 0.843 | 85% | 0.854 | S | S | * | * | trans | -76.7 | 149.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 267 | H | 43.9 | Very low | 55.8 | Low | 181 Ų | 181 | 132.2 Ų | 132.2 | 84% | 0.838 | 85% | 0.849 | S | S | * | * | trans | -141 | 116.3 | 152.7 | -168.9 | 9.5 | 0 | 0 | 0 | 108.8 | ||||
| 268 | S | 52.3 | Low | 56.1 | Low | 110 Ų | 110 | 137.8 Ų | 137.8 | 77% | 0.769 | 87% | 0.865 | S | S | * | * | trans | -121.3 | 138.3 | 161.2 | 48.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 269 | Q | 63.5 | Low | 56.1 | Low | 255 Ų | 255 | 131 Ų | 131 | 100% | 1.192 | 86% | 0.858 | S | S | * | * | trans | -82 | 0 | -166.7 | -165.8 | -178.5 | -13.1 | 0 | 0 | 112.5 |
Retrieved 269 of 269 residues in 374.8 ms
(Link to these results)