| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.8 | Very low | 49.2 | Very low | 235 Ų | 235 | 150.5 Ų | 150.5 | 100% | 1.158 | 80% | 0.797 | S | S | * | * | 0 | 127.8 | 0 | -73.9 | 173.4 | 156.9 | 0 | 0 | 107.3 | |||||
| 2 | S | 52.4 | Low | 48.9 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -107.3 | 136.2 | -165.2 | -49.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 3 | H | 51 | Low | 48.7 | Very low | 175 Ų | 175 | 154.8 Ų | 154.8 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -159.6 | 114.2 | 149.6 | 1.2 | -87.7 | 0 | 0 | 0 | 105.8 | ||||
| 4 | R | 51.2 | Low | 48.2 | Very low | 219 Ų | 219 | 150.5 Ų | 150.5 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | 43 | 126.1 | 59.5 | -65.5 | -174.5 | 95.7 | -131.9 | 7.5 | 110.7 | |||||
| 5 | T | 49.3 | Very low | 47.7 | Very low | 103 Ų | 103 | 154.7 Ų | 154.7 | 63% | 0.632 | 79% | 0.79 | S | S | * | * | cis | -178.9 | 151.7 | 19 | 14.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 6 | S | 50 | Low | 47.2 | Very low | 109 Ų | 109 | 154.8 Ų | 154.8 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | 68.9 | 113.1 | 139.7 | -49.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 7 | S | 49.4 | Very low | 46.6 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -105.5 | 108.9 | 156.2 | 171.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 8 | T | 52.3 | Low | 45.9 | Very low | 128 Ų | 128 | 150.9 Ų | 150.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -148.1 | 118.2 | 161.3 | 50.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 9 | F | 50.4 | Low | 45.4 | Very low | 204 Ų | 204 | 149.3 Ų | 149.3 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | -170.8 | 140.7 | 123.7 | -161.9 | -113.6 | 0 | 0 | 0 | 112 | |||||
| 10 | R | 50.2 | Low | 45.1 | Very low | 177 Ų | 177 | 147.4 Ų | 147.4 | 67% | 0.668 | 79% | 0.793 | S | S | * | * | trans | -75.1 | 140.3 | -179 | -179.8 | -172.7 | -176.8 | -173.2 | 5.5 | 110.7 | E12 | R10-E12 IonicContact CZ-OE2 3.06Å; R10-E12 IonicContact NE-OE2 3.28Å; R10-E12 PolarHBondContact NE-OE2 2.7Å; R10-E12 IonicContact NH2-OE2 2.66Å; R10-E12 PolarHBondContact NH2-OE2 3.48Å | ||
| 11 | A | 41.8 | Very low | 44.8 | Very low | 73 Ų | 73 | 146.3 Ų | 146.3 | 60% | 0.603 | 80% | 0.797 | S | S | * | * | trans | -143.6 | 94.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 12 | E | 44.7 | Very low | 44.6 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | trans | -70.9 | 136.1 | 158.3 | -64.1 | 178 | 96.7 | 0 | 0 | 108.2 | R10 | R10-E12 IonicContact CZ-OE2 3.06Å; R10-E12 IonicContact NE-OE2 3.28Å; R10-E12 PolarHBondContact NE-OE2 2.7Å; R10-E12 IonicContact NH2-OE2 2.66Å; R10-E12 PolarHBondContact NH2-OE2 3.48Å | ||
| 13 | R | 46.6 | Very low | 43.9 | Very low | 207 Ų | 207 | 141.3 Ų | 141.3 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | -146.2 | 117.3 | 164.7 | 37.7 | 179.7 | 168.5 | -88.4 | -0.7 | 110.2 | ||||
| 14 | S | 41.3 | Very low | 43.5 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | trans | -63.2 | 143.1 | -179.2 | -47.9 | 0 | 0 | 0 | 0 | 112.4 | H16 | S14-H16 VanDerWaalsContact CB-CD2 3.42Å; S14-H16 WeakPolarHBondContact CB-CD2 3.03Å; S14-H16 VanDerWaalsContact CB-NE2 3.31Å; S14-H16 WeakPolarHBondContact CB-NE2 3.43Å | ||
| 15 | F | 41.6 | Very low | 42.9 | Very low | 214 Ų | 214 | 133.7 Ų | 133.7 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | trans | -83.6 | 113 | 165.4 | -66.3 | -75.8 | 0 | 0 | 0 | 108.8 | ||||
| 16 | H | 38.8 | Very low | 42.3 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | trans | -107.4 | 126.9 | 170.2 | -69.9 | -124.6 | 0 | 0 | 0 | 108.5 | S14 | S14-H16 VanDerWaalsContact CB-CD2 3.42Å; S14-H16 WeakPolarHBondContact CB-CD2 3.03Å; S14-H16 VanDerWaalsContact CB-NE2 3.31Å; S14-H16 WeakPolarHBondContact CB-NE2 3.43Å | ||
| 17 | S | 38.1 | Very low | 42 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -50.7 | 132.2 | 176 | -45.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 18 | S | 33.6 | Very low | 41.4 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -108.7 | 104.7 | 166.9 | -60.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 19 | S | 36.9 | Very low | 40.8 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -98.2 | 127.7 | 162.1 | -59.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 20 | S | 38.2 | Very low | 40.1 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -127.6 | 111.7 | 171.2 | 51.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 21 | S | 39 | Very low | 39.6 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | trans | -129.2 | 121.5 | 165.8 | -61.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 22 | S | 38.8 | Very low | 39.4 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -77.9 | 146.7 | -176.8 | -30.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 23 | S | 39.6 | Very low | 38.9 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -83.3 | 153.2 | 174.6 | 44.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 24 | S | 40.8 | Very low | 38.4 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -154.1 | 122.7 | 151.3 | 58.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 25 | S | 38.9 | Very low | 39 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -92.5 | 149.1 | 179.1 | -35.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 26 | T | 37.9 | Very low | 38.8 | Very low | 147 Ų | 147 | 124.4 Ų | 124.4 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -149.2 | 140.6 | 148.4 | 44.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 27 | S | 42.5 | Very low | 38.6 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | trans | -77.2 | 163.1 | -175.2 | 48.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 28 | S | 37.9 | Very low | 38.4 | Very low | 99 Ų | 99 | 128 Ų | 128 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | 172 | 123.2 | 81.3 | -51.3 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 29 | S | 38.7 | Very low | 39.4 | Very low | 114 Ų | 114 | 127 Ų | 127 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | 88.6 | 113.9 | 92.8 | -56.6 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 30 | A | 35.7 | Very low | 40.1 | Very low | 96 Ų | 96 | 127 Ų | 127 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | 71.1 | 146.2 | 143.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 31 | S | 40 | Very low | 40.3 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | cis | -166.2 | 147.9 | 9.2 | -35.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 32 | R | 38.1 | Very low | 40.9 | Very low | 243 Ų | 243 | 133.4 Ų | 133.4 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | 47.5 | 125.7 | 139.6 | -68 | 174.3 | 104.2 | 167.5 | 3 | 124.9 | ||||
| 33 | A | 32.8 | Very low | 41 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | 88.3 | 138.2 | 131.6 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 34 | L | 36.3 | Very low | 41.4 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -94.9 | -171.5 | -175 | -60.2 | 167.9 | 0 | 0 | 0 | 113.5 | ||||
| 35 | P | 54.1 | Low | 41.7 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | cis | -139.9 | 176.9 | -14.7 | 26.4 | -1.1 | 0 | 0 | 0 | 117.6 | ||||
| 36 | A | 37.6 | Very low | 41.9 | Very low | 88 Ų | 88 | 137.6 Ų | 137.6 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 95.8 | 140.3 | 142 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 37 | Q | 35.3 | Very low | 42.5 | Very low | 196 Ų | 196 | 138.7 Ų | 138.7 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | 102.5 | 138.7 | 155.9 | -52.4 | -78.5 | -64.6 | 0 | 0 | 118.8 | ||||
| 38 | D | 33 | Very low | 42.8 | Very low | 154 Ų | 154 | 142 Ų | 142 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -89.5 | -168.5 | -156.7 | -148.3 | -115.9 | 0 | 0 | 0 | 115.2 | ||||
| 39 | P | 55.3 | Low | 42.7 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 66% | 0.656 | 82% | 0.815 | S | S | * | * | -97.9 | -148.2 | -121.5 | 46.7 | -25.6 | 0 | 0 | 0 | 112.9 | |||||
| 40 | P | 51.1 | Low | 42.8 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | cis | -128 | 165.4 | -17.4 | 39.7 | -23.4 | 0 | 0 | 0 | 113.3 | ||||
| 41 | M | 42.2 | Very low | 43.7 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 86% | 0.862 | 81% | 0.809 | S | S | * | * | trans | 177.9 | 115.3 | 133.2 | -161.1 | 167.8 | -170.5 | 0 | 0 | 109.5 | K43 | M41-K43 PolarHBondContact O-N 2.82Š| ||
| 42 | E | 51.7 | Low | 43.6 | Very low | 197 Ų | 197 | 151 Ų | 151 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -69.7 | 108.2 | 172.8 | -11 | 174.8 | 92 | 0 | 0 | 107.8 | ||||
| 43 | K | 40.8 | Very low | 43.6 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | trans | -140.7 | 106.5 | 162.7 | -164 | 166.7 | 177.7 | 171.5 | 0 | 109.5 | M41 | M41-K43 PolarHBondContact O-N 2.82Š| ||
| 44 | A | 49.6 | Very low | 44.6 | Very low | 82 Ų | 82 | 143.1 Ų | 143.1 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | 14 | 125.7 | 152.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 45 | L | 46.6 | Very low | 45.1 | Very low | 165 Ų | 165 | 143.1 Ų | 143.1 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | 166.8 | 78.6 | 118.2 | -81.9 | 169.4 | 0 | 0 | 0 | 107.3 | M47 | L45-M47 PolarHBondContact O-N 3.38Š| |||
| 46 | S | 42.3 | Very low | 44.7 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | trans | -91.7 | 80.9 | 167.1 | -171.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 47 | M | 51.8 | Low | 45.4 | Very low | 169 Ų | 169 | 152 Ų | 152 | 83% | 0.833 | 80% | 0.803 | S | S | * | * | trans | -111.8 | 137.5 | 155.4 | -85.9 | -179.1 | 174.3 | 0 | 0 | 106.6 | L45 | L45-M47 PolarHBondContact O-N 3.38Š| ||
| 48 | F | 47.4 | Very low | 45.9 | Very low | 174 Ų | 174 | 148 Ų | 148 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | 76.4 | 99 | -177 | -95.3 | -92.5 | 0 | 0 | 0 | 117.1 | D50 | F48-D50 VanDerWaalsContact CD1-OD2 3.25Å; F48-D50 WeakPolarHBondContact CD1-OD2 3.24Å; F48-D50 VanDerWaalsContact CE1-OD2 3.23Å; F48-D50 WeakPolarHBondContact CE1-OD2 3.4Å | ||
| 49 | S | 36.4 | Very low | 46.3 | Very low | 124 Ų | 124 | 148.8 Ų | 148.8 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -149.2 | 111 | 132.6 | -80.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 50 | D | 41.7 | Very low | 45.3 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 67% | 0.668 | 79% | 0.794 | S | S | * | * | trans | -51.5 | 133.4 | 164.2 | -71.1 | -103.8 | 0 | 0 | 0 | 112.2 | F48 | F48-D50 VanDerWaalsContact CD1-OD2 3.25Å; F48-D50 WeakPolarHBondContact CD1-OD2 3.24Å; F48-D50 VanDerWaalsContact CE1-OD2 3.23Å; F48-D50 WeakPolarHBondContact CE1-OD2 3.4Å | ||
| 51 | D | 54.7 | Low | 44.5 | Very low | 147 Ų | 147 | 151.4 Ų | 151.4 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | 40.7 | 95 | 123 | -152.6 | -99.9 | 0 | 0 | 0 | 118 | |||||
| 52 | F | 36.8 | Very low | 44.8 | Very low | 208 Ų | 208 | 147.5 Ų | 147.5 | 91% | 0.912 | 78% | 0.784 | S | S | * | * | trans | -156.8 | 118 | 138.8 | -145 | -100.1 | 0 | 0 | 0 | 111.8 | ||||
| 53 | G | 38.8 | Very low | 44.5 | Very low | 58 Ų | 58 | 145.6 Ų | 145.6 | 60% | 0.598 | 78% | 0.779 | S | S | * | * | trans | 77.2 | 99.6 | 145.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 54 | S | 54 | Low | 44.9 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | 31 | 147.7 | 124 | -154.1 | 0 | 0 | 0 | 0 | 120 | |||||
| 55 | F | 46.3 | Very low | 44.6 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 75% | 0.75 | 79% | 0.786 | S | S | * | * | trans | 93 | 82.7 | 159.4 | -136.6 | -104.6 | 0 | 0 | 0 | 114.9 | ||||
| 56 | M | 45.5 | Very low | 44.5 | Very low | 148 Ų | 148 | 144 Ų | 144 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | 166.4 | 106.7 | 120.8 | -83.6 | -49.9 | -171.4 | 0 | 0 | 109.3 | |||||
| 57 | R | 53.1 | Low | 44.4 | Very low | 245 Ų | 245 | 142.2 Ų | 142.2 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | trans | -72.3 | 127.9 | 157.7 | -159.2 | -179.3 | -157.2 | 171.6 | 5.3 | 107.1 | ||||
| 58 | P | 45.3 | Very low | 44.4 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | -143.6 | 130.5 | 111.8 | 29.3 | -10.5 | 0 | 0 | 0 | 111.6 | |||||
| 59 | H | 41 | Very low | 44.1 | Very low | 171 Ų | 171 | 139 Ų | 139 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | 88.9 | 141.9 | 89.3 | -163 | -87.2 | 0 | 0 | 0 | 113.9 | |||||
| 60 | S | 34.3 | Very low | 44.6 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | 70 | 130.4 | 178.3 | 57 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 61 | E | 34.6 | Very low | 45.1 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | cis | -162.1 | 165.7 | 14.7 | -109.7 | -99.9 | 111.1 | 0 | 0 | 108.7 | ||||
| 62 | P | 48.4 | Very low | 44.7 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 60% | 0.597 | 78% | 0.778 | S | S | * | * | trans | -91.1 | 131.7 | -157.9 | 35.4 | -31.3 | 0 | 0 | 0 | 111.7 | ||||
| 63 | L | 46.1 | Very low | 45.2 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -130.3 | 113 | 162.1 | -72.5 | 176.3 | 0 | 0 | 0 | 109.7 | F65 | L63-F65 PolarHBondContact O-N 2.99Š| ||
| 64 | A | 47.8 | Very low | 45.4 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -54.5 | 125 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 65 | F | 44.5 | Very low | 44.8 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | trans | -128.7 | 142.9 | 155.3 | -68.4 | -77.9 | 0 | 0 | 0 | 108.1 | L63 | L63-F65 PolarHBondContact O-N 2.99Š| ||
| 66 | P | 43 | Very low | 44.7 | Very low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -77.4 | 147.6 | -146.8 | 30.6 | -34.9 | 0 | 0 | 0 | 113.4 | ||||
| 67 | A | 41.5 | Very low | 44.9 | Very low | 89 Ų | 89 | 132.1 Ų | 132.1 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 36.7 | 113.3 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 68 | A | 51.8 | Low | 45.2 | Very low | 93 Ų | 93 | 120.9 Ų | 120.9 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | 55.4 | 77.8 | 137.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | P70 | A68-P70 VanDerWaalsContact O-CD 3.3Å; A68-P70 WeakPolarHBondContact O-CD 3.47Å | ||
| 69 | H | 40 | Very low | 46.5 | Very low | 182 Ų | 182 | 121.2 Ų | 121.2 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | trans | -85.8 | 107.4 | 141.8 | -66.7 | -94.6 | 0 | 0 | 0 | 106.7 | T71 | H69-T71 PolarHBondContact O-N 2.67Š| ||
| 70 | P | 46.8 | Very low | 48.7 | Very low | 107 Ų | 107 | 115.2 Ų | 115.2 | 70% | 0.695 | 70% | 0.704 | S | S | * | * | trans | -59.5 | 131.1 | 173.2 | 25.6 | -31.4 | 0 | 0 | 0 | 108.2 | A68 A72 | A68-P70 VanDerWaalsContact O-CD 3.3Å; A68-P70 WeakPolarHBondContact O-CD 3.47Å; P70-A72 PolarHBondContact O-N 3.37Å | ||
| 71 | T | 52.4 | Low | 51.4 | Low | 138 Ų | 138 | 116.3 Ų | 116.3 | 85% | 0.847 | 70% | 0.697 | S | S | * | * | trans | 0.6 | 105.3 | 145.2 | 41.6 | 0 | 0 | 0 | 0 | 115.2 | H69 | H69-T71 PolarHBondContact O-N 2.67Š| ||
| 72 | A | 46 | Very low | 54 | Low | 104 Ų | 104 | 112.2 Ų | 112.2 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | trans | -131.9 | 81.9 | 148.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | P70 | P70-A72 PolarHBondContact O-N 3.37Š| ||
| 73 | R | 47.9 | Very low | 56 | Low | 232 Ų | 232 | 112 Ų | 112 | 88% | 0.875 | 68% | 0.677 | S | S | * | * | trans | -76.6 | -178.8 | 163 | -153.1 | -169.8 | 149.7 | -170.4 | -5.4 | 107.9 | ||||
| 74 | P | 43 | Very low | 57.9 | Low | 106 Ų | 106 | 107.2 Ų | 107.2 | 69% | 0.688 | 67% | 0.666 | S | S | * | * | S | Bend | -80.9 | 149.4 | -120.5 | 34.4 | -15.3 | 0 | 0 | 0 | 115.1 | |||
| 75 | G | 41.7 | Very low | 59.9 | Low | 72 Ų | 72 | 106.5 Ų | 106.5 | 74% | 0.742 | 65% | 0.648 | S | S | * | * | trans | 61 | 85.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P77 | G75-P77 VanDerWaalsContact O-CD 3.31Å; G75-P77 WeakPolarHBondContact O-CD 3.37Å; G75-P77 VanDerWaalsContact O-N 3.14Å | ||
| 76 | A | 44.9 | Very low | 62.1 | Low | 90 Ų | 90 | 97.6 Ų | 97.6 | 74% | 0.744 | 61% | 0.609 | S | S | * | * | trans | -56.4 | 119.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | G78 | A76-G78 PolarHBondContact O-N 2.85Š| ||
| 77 | P | 48.9 | Very low | 64.5 | Low | 108 Ų | 108 | 92.9 Ų | 92.9 | 70% | 0.701 | 58% | 0.576 | S | S | * | * | trans | -59.9 | 124.6 | 167.1 | 25.9 | -31 | 0 | 0 | 0 | 106.6 | G75 | G75-P77 VanDerWaalsContact O-CD 3.31Å; G75-P77 WeakPolarHBondContact O-CD 3.37Å; G75-P77 VanDerWaalsContact O-N 3.14Å | ||
| 78 | G | 58.9 | Low | 66.9 | Low | 10 Ų | 10 | 90.7 Ų | 90.7 | 10% | 0.103 | 55% | 0.551 | C | S | . | * | trans | -45.1 | 147.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A76 I80 | A76-G78 PolarHBondContact O-N 2.85Å; G78-I80 PolarHBondContact O-N 3.05Å | ||
| 79 | N | 72.6 | Confident | 68.9 | Low | 119 Ų | 119 | 86.4 Ų | 86.4 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | trans | -46.1 | 49.3 | -167.5 | -63.1 | 28.7 | 0 | 0 | 0 | 118.2 | ||||
| 80 | I | 87.8 | Confident | 71.4 | Confident | 45 Ų | 45 | 79.7 Ų | 79.7 | 23% | 0.231 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 128.1 | 174.8 | -100.5 | 169.5 | 0 | 0 | 0 | 109.1 | G78 Y87 E88 F89 C131 Q132 L133 | G78-I80 PolarHBondContact O-N 3.05Å; I80-Y87 HydrophobicContact CG2-CD1 4.11Å; I80-E88 CarbonylContact C-O 3.56Å; I80-E88 WeakPolarHBondContact CA-O 3.4Å; I80-F89 HydrophobicContact CG1-CB 3.8Å; I80-F89 HydrophobicContact CG1-CD2 4.26Å; I80-F89 HydrophobicContact CG1-CG 4.31Å; I80-C131 HydrophobicContact CD1-CB 3.96Å; I80-C131 VanDerWaalsContact CD1-SG 3.55Å; I80-C131 HydrophobicContact CG1-CB 4.36Å; I80-Q132 WeakPolarHBondContact CD1-O 3.21Å; I80-L133 HydrophobicContact CD1-CD2 3.73Å; I80-L133 HydrophobicContact CD1-CG 4.33Å |
| 81 | K | 90.4 | Very high | 73.6 | Confident | 121 Ų | 121 | 75.2 Ų | 75.2 | 53% | 0.526 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 136.1 | 178.5 | -62.4 | 169.3 | 65.4 | -148.5 | 0 | 108.5 | Y87 E88 | K81-Y87 CarbonylContact O-C 3.48Å; K81-Y87 WeakPolarHBondContact O-CA 3.23Å; K81-E88 HydrophobicContact CB-CB 4.48Å; K81-E88 PolarHBondContact N-O 2.62Å; K81-E88 IonicContact NZ-OE1 2.97Å; K81-E88 PolarHBondContact NZ-OE1 3.44Å; K81-E88 VanDerWaalsContact NZ-OE1 3.07Å; K81-E88 PolarHBondContact O-N 2.96Å |
| 82 | T | 90.4 | Very high | 75.5 | Confident | 90 Ų | 90 | 72 Ų | 72 | 55% | 0.552 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 120.9 | 173.7 | -48.3 | 0 | 0 | 0 | 0 | 109.6 | Y87 | T82-Y87 HydrophobicContact CG2-CD1 4.18Å; T82-Y87 HydrophobicContact CG2-CE1 3.77Å; T82-Y87 WeakPolarHBondContact OG1-CE1 3.07Å |
| 83 | L | 89 | Confident | 77.8 | Confident | 88 Ų | 88 | 67.1 Ų | 67.1 | 46% | 0.461 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 71 | 177.2 | -170.3 | 70.3 | 0 | 0 | 0 | 109.7 | D85 A86 | L83-D85 PolarHBondContact O-N 2.7Å; L83-A86 CarbonylContact C-O 3.51Å; L83-A86 WeakPolarHBondContact CA-O 3.32Å; L83-A86 PolarHBondContact N-O 2.98Å; L83-A86 PolarHBondContact O-N 2.77Å |
| 84 | G | 87.4 | Confident | 80 | Confident | 57 Ų | 57 | 64 Ų | 64 | 59% | 0.588 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | -99.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R158 | G84-R158 WeakPolarHBondContact O-CD 3.23Å; G84-R158 PolarHBondContact O-NH1 3.09Å; G84-R158 VanDerWaalsContact O-NH1 3.09Å |
| 85 | D | 89.1 | Confident | 82.3 | Confident | 84 Ų | 84 | 63.6 Ų | 63.6 | 45% | 0.449 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 4 | 178.1 | 72.9 | -95.1 | 0 | 0 | 0 | 113.8 | L83 R157 R158 | L83-D85 PolarHBondContact O-N 2.7Å; D85-R157 IonicContact OD1-NH1 3.91Å; D85-R157 VanDerWaalsContact OD2-CD 3.24Å; D85-R157 WeakPolarHBondContact OD2-CD 3.25Å; D85-R157 IonicContact OD2-CZ 3.78Å; D85-R157 IonicContact OD2-NE 3.36Å; D85-R157 IonicContact OD2-NH1 3.92Å; D85-R157 PolarHBondContact OD2-NH1 3Å; D85-R158 VanDerWaalsContact O-CB 3.23Å; D85-R158 WeakPolarHBondContact O-CB 3.32Å; D85-R158 VanDerWaalsContact O-CG 3.23Å; D85-R158 WeakPolarHBondContact O-CG 3.38Å; D85-R158 PolarHBondContact O-N 3.12Å |
| 86 | A | 91.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 160.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L83 R155 A156 | L83-A86 CarbonylContact C-O 3.51Å; L83-A86 WeakPolarHBondContact CA-O 3.32Å; L83-A86 PolarHBondContact N-O 2.98Å; L83-A86 PolarHBondContact O-N 2.77Å; A86-R155 HydrophobicContact CB-CG 4.11Å; A86-A156 CarbonylContact C-O 3.52Å; A86-A156 WeakPolarHBondContact CA-O 3.45Å; A86-A156 WeakPolarHBondContact CB-O 3.3Å |
| 87 | Y | 92.4 | Very high | 87.1 | Confident | 15 Ų | 15 | 59.2 Ų | 59.2 | 6% | 0.059 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 144 | 164.9 | -62 | -77.5 | 0 | 0 | 0 | 109.8 | I80 K81 T82 P134 D136 V137 R155 A156 R158 | I80-Y87 HydrophobicContact CG2-CD1 4.11Å; K81-Y87 CarbonylContact O-C 3.48Å; K81-Y87 WeakPolarHBondContact O-CA 3.23Å; T82-Y87 HydrophobicContact CG2-CD1 4.18Å; T82-Y87 HydrophobicContact CG2-CE1 3.77Å; T82-Y87 WeakPolarHBondContact OG1-CE1 3.07Å; Y87-P134 HydrophobicContact CD1-CG 4.23Å; Y87-P134 HydrophobicContact CD2-CG 4.49Å; Y87-P134 HydrophobicContact CE1-CB 4.47Å; Y87-P134 HydrophobicContact CE1-CG 3.61Å; Y87-P134 HydrophobicContact CE2-CB 3.99Å; Y87-P134 HydrophobicContact CE2-CG 3.83Å; Y87-P134 WeakPolarHBondContact OH-CB 3.06Å; Y87-P134 WeakPolarHBondContact OH-CG 3.13Å; Y87-D136 PolarHBondContact OH-OD2 3.3Å; Y87-V137 HydrophobicContact CD2-CG2 3.28Å; Y87-V137 HydrophobicContact CE2-CG2 3.34Å; Y87-V137 HydrophobicContact CG-CG2 4.36Å; Y87-R155 CarbonylContact O-C 3.57Å; Y87-R155 VanDerWaalsContact O-CA 3.22Å; Y87-R155 WeakPolarHBondContact O-CA 3.42Å; Y87-R155 WeakPolarHBondContact O-CG 3.32Å; Y87-A156 PolarHBondContact N-O 3.31Å; Y87-A156 PolarHBondContact O-N 3.44Å; Y87-R158 HydrophobicContact CD2-CG 3.78Å; Y87-R158 HydrophobicContact CE2-CG 3.35Å; Y87-R158 PolarHBondContact OH-NE 3.11Å |
| 88 | E | 93.4 | Very high | 89.2 | Confident | 44 Ų | 44 | 58.5 Ų | 58.5 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 134.9 | 179.6 | -179.3 | -179.6 | 88.7 | 0 | 0 | 109 | I80 K81 T153 I154 | I80-E88 CarbonylContact C-O 3.56Å; I80-E88 WeakPolarHBondContact CA-O 3.4Å; K81-E88 HydrophobicContact CB-CB 4.48Å; K81-E88 PolarHBondContact N-O 2.62Å; K81-E88 IonicContact NZ-OE1 2.97Å; K81-E88 PolarHBondContact NZ-OE1 3.44Å; K81-E88 VanDerWaalsContact NZ-OE1 3.07Å; K81-E88 PolarHBondContact O-N 2.96Å; E88-T153 HydrophobicContact CG-CG2 3.64Å; E88-I154 CarbonylContact C-O 3.56Å; E88-I154 WeakPolarHBondContact CA-O 3.49Å |
| 89 | F | 92.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.009 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 122 | 178.4 | 172.7 | -119 | 0 | 0 | 0 | 108.3 | I80 V91 I110 V112 H129 C131 T153 I154 | I80-F89 HydrophobicContact CG1-CB 3.8Å; I80-F89 HydrophobicContact CG1-CD2 4.26Å; I80-F89 HydrophobicContact CG1-CG 4.31Å; F89-V91 HydrophobicContact CD1-CG1 4.47Å; F89-V91 HydrophobicContact CE1-CG1 3.5Å; F89-V91 HydrophobicContact CE2-CG1 3.74Å; F89-V91 HydrophobicContact CZ-CB 4.46Å; F89-V91 HydrophobicContact CZ-CG1 3.05Å; F89-I110 HydrophobicContact CD1-CG2 4.32Å; F89-V112 HydrophobicContact CE1-CG2 3.86Å; F89-H129 AromaticContact CE2-CD2 3.66Å; F89-H129 AromaticContact CE2-NE2 3.65Å; F89-H129 AromaticContact CZ-CD2 3.18Å; F89-H129 WeakPolarHBondContact CZ-CD2 3.35Å; F89-H129 AromaticContact CZ-CG 3.95Å; F89-H129 AromaticContact CZ-NE2 3.68Å; F89-C131 HydrophobicContact CD2-CB 4.16Å; F89-C131 HydrophobicContact CE2-CB 4.04Å; F89-C131 VanDerWaalsContact CG-SG 3.57Å; F89-C131 HydrophobicContact CZ-CB 4.37Å; F89-T153 CarbonylContact O-C 3.55Å; F89-T153 WeakPolarHBondContact O-CA 3.29Å; F89-I154 HydrophobicContact CB-CB 4.48Å; F89-I154 HydrophobicContact CD1-CB 4.36Å; F89-I154 HydrophobicContact CD1-CD1 3.54Å; F89-I154 HydrophobicContact CE1-CD1 3.93Å; F89-I154 PolarHBondContact N-O 3.49Å; F89-I154 PolarHBondContact O-N 2.76Å |
| 90 | A | 92.7 | Very high | 91.7 | Very high | 42 Ų | 42 | 62 Ų | 62 | 35% | 0.347 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L152 | A90-L152 WeakPolarHBondContact CA-O 3.33Å |
| 91 | V | 93.2 | Very high | 92.1 | Very high | 12 Ų | 12 | 61.1 Ų | 61.1 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 151.3 | 174.5 | -67.1 | 0 | 0 | 0 | 0 | 111 | F89 V93 V112 F127 H129 L152 | F89-V91 HydrophobicContact CD1-CG1 4.47Å; F89-V91 HydrophobicContact CE1-CG1 3.5Å; F89-V91 HydrophobicContact CE2-CG1 3.74Å; F89-V91 HydrophobicContact CZ-CB 4.46Å; F89-V91 HydrophobicContact CZ-CG1 3.05Å; V91-V93 HydrophobicContact CG2-CG1 4.05Å; V91-V112 HydrophobicContact CG2-CG1 4.25Å; V91-V112 HydrophobicContact CG2-CG2 4.32Å; V91-F127 HydrophobicContact CB-CZ 4.14Å; V91-F127 HydrophobicContact CG1-CZ 4.37Å; V91-F127 HydrophobicContact CG2-CE1 4.49Å; V91-H129 HydrophobicContact CG1-CB 4.3Å; V91-L152 HydrophobicContact CG2-CB 3.88Å; V91-L152 HydrophobicContact CG2-CD2 4.03Å; V91-L152 HydrophobicContact CG2-CG 4.33Å; V91-L152 PolarHBondContact N-O 3.25Å; V91-L152 PolarHBondContact O-N 2.86Å |
| 92 | D | 93 | Very high | 92.3 | Very high | 70 Ų | 70 | 60.2 Ų | 60.2 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 125.3 | 173.4 | -169.1 | -93.7 | 0 | 0 | 0 | 109.8 | R94 | D92-R94 WeakPolarHBondContact OD1-CD 3.49Å; D92-R94 VanDerWaalsContact OD1-CG 3.31Å; D92-R94 WeakPolarHBondContact OD1-CG 3.46Å; D92-R94 IonicContact OD1-CZ 3.47Å; D92-R94 IonicContact OD1-NE 3.07Å; D92-R94 PolarHBondContact OD1-NE 3.12Å; D92-R94 IonicContact OD1-NH2 3.55Å; D92-R94 IonicContact OD2-CZ 2.98Å; D92-R94 VanDerWaalsContact OD2-CZ 3.22Å; D92-R94 IonicContact OD2-NE 3.71Å; D92-R94 PolarHBondContact OD2-NE 2.7Å; D92-R94 IonicContact OD2-NH2 2.62Å; D92-R94 PolarHBondContact OD2-NH2 2.75Å |
| 93 | V | 93.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | trans | -135.1 | 25.8 | -176.9 | -67 | 0 | 0 | 0 | 0 | 111.4 | V91 D95 F96 I101 F127 L146 G150 L152 | V91-V93 HydrophobicContact CG2-CG1 4.05Å; V93-D95 PolarHBondContact O-N 2.79Å; V93-F96 HydrophobicContact CB-CD2 4.49Å; V93-F96 PolarHBondContact O-N 3.07Å; V93-I101 HydrophobicContact CB-CD1 3.86Å; V93-I101 HydrophobicContact CG1-CD1 4.5Å; V93-I101 HydrophobicContact CG2-CD1 3.6Å; V93-F127 HydrophobicContact CG1-CD1 4.19Å; V93-F127 HydrophobicContact CG1-CE1 3.97Å; V93-F127 HydrophobicContact CG1-CZ 4.43Å; V93-L146 HydrophobicContact CG2-CD1 3.48Å; V93-L146 VanDerWaalsContact CG2-CD1 3.48Å; V93-G150 WeakPolarHBondContact CG2-O 3.18Å; V93-G150 PolarHBondContact N-O 2.93Å; V93-L152 HydrophobicContact CG2-CB 3.79Å | ||
| 94 | R | 93.5 | Very high | 92.7 | Very high | 167 Ų | 167 | 56.7 Ų | 56.7 | 63% | 0.63 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -22.8 | -175.3 | 70 | -175.6 | 65.9 | -166.3 | -5.2 | 115.1 | D92 F96 G150 | D92-R94 WeakPolarHBondContact OD1-CD 3.49Å; D92-R94 VanDerWaalsContact OD1-CG 3.31Å; D92-R94 WeakPolarHBondContact OD1-CG 3.46Å; D92-R94 IonicContact OD1-CZ 3.47Å; D92-R94 IonicContact OD1-NE 3.07Å; D92-R94 PolarHBondContact OD1-NE 3.12Å; D92-R94 IonicContact OD1-NH2 3.55Å; D92-R94 IonicContact OD2-CZ 2.98Å; D92-R94 VanDerWaalsContact OD2-CZ 3.22Å; D92-R94 IonicContact OD2-NE 3.71Å; D92-R94 PolarHBondContact OD2-NE 2.7Å; D92-R94 IonicContact OD2-NH2 2.62Å; D92-R94 PolarHBondContact OD2-NH2 2.75Å; R94-F96 VanDerWaalsContact C-N 3.31Å; R94-G150 PolarHBondContact N-O 3.26Å |
| 95 | D | 92 | Very high | 92.8 | Very high | 97 Ų | 97 | 56.3 Ų | 56.3 | 52% | 0.519 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -3.4 | -179.4 | -85.5 | -83.9 | 0 | 0 | 0 | 114.5 | V93 K116 | V93-D95 PolarHBondContact O-N 2.79Å; D95-K116 PolarHBondContact O-NZ 2.75Å; D95-K116 VanDerWaalsContact O-NZ 3.07Å |
| 96 | F | 94.3 | Very high | 92.9 | Very high | 22 Ų | 22 | 55.6 Ų | 55.6 | 10% | 0.096 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -124.9 | 147.6 | -173.6 | -58.4 | -87.8 | 0 | 0 | 0 | 111.7 | V93 R94 I101 A114 K116 N125 F127 | V93-F96 HydrophobicContact CB-CD2 4.49Å; V93-F96 PolarHBondContact O-N 3.07Å; R94-F96 VanDerWaalsContact C-N 3.31Å; F96-I101 HydrophobicContact CB-CD1 4.23Å; F96-I101 HydrophobicContact CB-CG1 4.05Å; F96-A114 HydrophobicContact CB-CB 4.03Å; F96-A114 HydrophobicContact CD1-CB 3.52Å; F96-A114 HydrophobicContact CD2-CB 3.96Å; F96-A114 HydrophobicContact CE1-CB 3.88Å; F96-A114 HydrophobicContact CE2-CB 4.3Å; F96-A114 HydrophobicContact CG-CB 3.56Å; F96-A114 HydrophobicContact CZ-CB 4.26Å; F96-K116 HydrophobicContact CD1-CB 3.96Å; F96-K116 HydrophobicContact CE1-CB 4.07Å; F96-N125 HydrophobicContact CE1-CB 3.9Å; F96-N125 HydrophobicContact CZ-CB 4.03Å; F96-N125 VanDerWaalsContact CZ-CG 3.49Å; F96-N125 WeakPolarHBondContact CZ-ND2 3.34Å; F96-F127 HydrophobicContact CD2-CB 4.38Å; F96-F127 HydrophobicContact CE1-CB 4.4Å; F96-F127 HydrophobicContact CE2-CB 3.49Å; F96-F127 VanDerWaalsContact CE2-CB 3.49Å; F96-F127 HydrophobicContact CE2-CG 4.29Å; F96-F127 HydrophobicContact CZ-CB 3.5Å; F96-F127 VanDerWaalsContact CZ-CB 3.5Å |
| 97 | S | 92.4 | Very high | 92.8 | Very high | 48 Ų | 48 | 62.6 Ų | 62.6 | 34% | 0.336 | 34% | 0.339 | S | S | . | . | trans | -75.1 | 152.9 | 170.7 | -72.8 | 0 | 0 | 0 | 0 | 110.8 | E99 D100 I101 | S97-E99 VanDerWaalsContact CB-OE1 3.22Å; S97-E99 WeakPolarHBondContact CB-OE1 3.4Å; S97-E99 PolarHBondContact O-N 2.72Å; S97-E99 VanDerWaalsContact O-N 3.11Å; S97-E99 PolarHBondContact OG-OE1 2.88Å; S97-D100 WeakPolarHBondContact CB-OD2 3.39Å; S97-D100 PolarHBondContact N-OD2 3.2Å; S97-D100 PolarHBondContact O-N 2.76Å; S97-I101 WeakPolarHBondContact O-CD1 3.45Å; S97-I101 WeakPolarHBondContact O-CG1 3.35Å | ||
| 98 | P | 92.6 | Very high | 92.6 | Very high | 93 Ų | 93 | 65.9 Ų | 65.9 | 60% | 0.604 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -53.6 | -31.4 | 174.2 | 19.5 | -31.4 | 0 | 0 | 0 | 113.5 | I101 L146 | P98-I101 PolarHBondContact O-N 2.8Å; P98-L146 HydrophobicContact CB-CD2 3.81Å |
| 99 | E | 92.5 | Very high | 92.5 | Very high | 158 Ų | 158 | 65.9 Ų | 65.9 | 74% | 0.738 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -73.1 | -24.4 | 179.1 | 64.7 | -141 | 151.1 | 0 | 0 | 114 | S97 I101 | S97-E99 VanDerWaalsContact CB-OE1 3.22Å; S97-E99 WeakPolarHBondContact CB-OE1 3.4Å; S97-E99 PolarHBondContact O-N 2.72Å; S97-E99 VanDerWaalsContact O-N 3.11Å; S97-E99 PolarHBondContact OG-OE1 2.88Å; E99-I101 VanDerWaalsContact C-N 3.31Å |
| 100 | D | 92.9 | Very high | 92.4 | Very high | 46 Ų | 46 | 65.9 Ų | 65.9 | 25% | 0.246 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -83.9 | -9.6 | 177.7 | -65.3 | -40.8 | 0 | 0 | 0 | 112.4 | S97 A114 E115 | S97-D100 WeakPolarHBondContact CB-OD2 3.39Å; S97-D100 PolarHBondContact N-OD2 3.2Å; S97-D100 PolarHBondContact O-N 2.76Å; D100-A114 VanDerWaalsContact O-CA 3.24Å; D100-A114 WeakPolarHBondContact O-CA 3.48Å; D100-E115 WeakPolarHBondContact CB-O 3.22Å; D100-E115 PolarHBondContact O-N 3.43Å |
| 101 | I | 94.6 | Very high | 92.5 | Very high | 25 Ų | 25 | 65.9 Ų | 65.9 | 13% | 0.128 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 127.5 | -171.6 | -61.3 | 159.8 | 0 | 0 | 0 | 110.7 | V93 F96 S97 P98 E99 V112 R113 A114 L146 L152 | V93-I101 HydrophobicContact CB-CD1 3.86Å; V93-I101 HydrophobicContact CG1-CD1 4.5Å; V93-I101 HydrophobicContact CG2-CD1 3.6Å; F96-I101 HydrophobicContact CB-CD1 4.23Å; F96-I101 HydrophobicContact CB-CG1 4.05Å; S97-I101 WeakPolarHBondContact O-CD1 3.45Å; S97-I101 WeakPolarHBondContact O-CG1 3.35Å; P98-I101 PolarHBondContact O-N 2.8Å; E99-I101 VanDerWaalsContact C-N 3.31Å; I101-V112 HydrophobicContact CG2-CG1 4.08Å; I101-R113 CarbonylContact C-O 3.48Å; I101-R113 WeakPolarHBondContact CA-O 3.34Å; I101-A114 HydrophobicContact CB-CB 4.46Å; I101-A114 HydrophobicContact CG1-CB 3.79Å; I101-L146 HydrophobicContact CD1-CD2 4.25Å; I101-L152 HydrophobicContact CG2-CD2 3.96Å |
| 102 | I | 95.3 | Very high | 92.5 | Very high | 102 Ų | 102 | 65.3 Ų | 65.3 | 52% | 0.523 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.2 | -179.8 | -57.7 | 170.9 | 0 | 0 | 0 | 109 | V112 R113 | I102-V112 WeakPolarHBondContact O-CA 3.45Å; I102-R113 PolarHBondContact N-O 2.91Å; I102-R113 PolarHBondContact O-N 2.76Å |
| 103 | V | 94.2 | Very high | 92.6 | Very high | 47 Ų | 47 | 68.3 Ų | 68.3 | 29% | 0.285 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 120.7 | 172.4 | -174.8 | 0 | 0 | 0 | 0 | 109 | I110 E111 V112 L152 I154 | V103-I110 HydrophobicContact CG1-CG2 3.99Å; V103-E111 WeakPolarHBondContact CA-O 3.36Å; V103-V112 HydrophobicContact CG2-CG2 4.29Å; V103-L152 HydrophobicContact CG2-CD2 3.97Å; V103-I154 HydrophobicContact CG1-CG1 4.24Å; V103-I154 HydrophobicContact CG2-CG1 4.49Å |
| 104 | T | 93.4 | Very high | 92.7 | Very high | 57 Ų | 57 | 68.4 Ų | 68.4 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.7 | 177.4 | -57.1 | 0 | 0 | 0 | 0 | 109.7 | I110 E111 | T104-I110 CarbonylContact O-C 3.53Å; T104-I110 WeakPolarHBondContact O-CA 3.35Å; T104-E111 PolarHBondContact N-O 3.48Å; T104-E111 PolarHBondContact O-N 3.45Å |
| 105 | T | 90.9 | Very high | 92.8 | Very high | 50 Ų | 50 | 64.6 Ų | 64.6 | 31% | 0.307 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 115.9 | 172.6 | -53.4 | 0 | 0 | 0 | 0 | 109.6 | H109 I110 L133 V142 | T105-H109 CarbonylContact C-O 3.59Å; T105-H109 VanDerWaalsContact CA-O 3.3Å; T105-H109 WeakPolarHBondContact CA-O 3.36Å; T105-I110 HydrophobicContact CG2-CG1 4.18Å; T105-L133 HydrophobicContact CG2-CD1 3.95Å; T105-V142 HydrophobicContact CG2-CG2 4.28Å |
| 106 | S | 90 | Very high | 92.9 | Very high | 69 Ų | 69 | 63 Ų | 63 | 48% | 0.483 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 139 | -176.1 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | N108 H109 | S106-N108 VanDerWaalsContact C-N 3.31Å; S106-N108 PolarHBondContact O-N 2.79Å; S106-H109 PolarHBondContact N-O 3.17Å; S106-H109 WeakPolarHBondContact O-CA 3.49Å; S106-H109 WeakPolarHBondContact O-CB 3.31Å; S106-H109 PolarHBondContact O-N 3.39Å |
| 107 | N | 88.8 | Confident | 92.9 | Very high | 147 Ų | 147 | 65.8 Ų | 65.8 | 79% | 0.786 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 46.1 | 175.1 | -61.9 | -29.3 | 0 | 0 | 0 | 113.6 | H109 | N107-H109 PolarHBondContact O-CE1 3.16Å; N107-H109 PolarHBondContact O-N 2.68Å; N107-H109 PolarHBondContact O-ND1 2.94Å |
| 108 | N | 88.7 | Confident | 92.9 | Very high | 83 Ų | 83 | 64.9 Ų | 64.9 | 44% | 0.444 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 32.8 | -174.9 | -51.1 | -38.5 | 0 | 0 | 0 | 113.3 | S106 L133 | S106-N108 VanDerWaalsContact C-N 3.31Å; S106-N108 PolarHBondContact O-N 2.79Å; N108-L133 HydrophobicContact CB-CB 4.47Å; N108-L133 PolarHBondContact O-N 2.79Å |
| 109 | H | 90.8 | Very high | 92.9 | Very high | 45 Ų | 45 | 66.1 Ų | 66.1 | 21% | 0.208 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 140 | 171.3 | -64.8 | 79.2 | 0 | 0 | 0 | 109.7 | T105 S106 N107 K130 C131 Q132 | T105-H109 CarbonylContact C-O 3.59Å; T105-H109 VanDerWaalsContact CA-O 3.3Å; T105-H109 WeakPolarHBondContact CA-O 3.36Å; S106-H109 PolarHBondContact N-O 3.17Å; S106-H109 WeakPolarHBondContact O-CA 3.49Å; S106-H109 WeakPolarHBondContact O-CB 3.31Å; S106-H109 PolarHBondContact O-N 3.39Å; N107-H109 PolarHBondContact O-CE1 3.16Å; N107-H109 PolarHBondContact O-N 2.68Å; N107-H109 PolarHBondContact O-ND1 2.94Å; H109-K130 HydrophobicContact CB-CG 4.45Å; H109-K130 WeakPolarHBondContact CD2-CE 3.31Å; H109-K130 VanDerWaalsContact CG-CE 3.45Å; H109-C131 CarbonylContact C-O 3.58Å; H109-C131 VanDerWaalsContact CA-O 3.28Å; H109-C131 WeakPolarHBondContact CA-O 3.48Å; H109-Q132 PolarHBondContact CE1-NE2 2.81Å |
| 110 | I | 92.1 | Very high | 93 | Very high | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132.3 | 163.6 | -65.7 | 164.6 | 0 | 0 | 0 | 107 | F89 V103 T104 T105 V112 K130 C131 L133 I154 | F89-I110 HydrophobicContact CD1-CG2 4.32Å; V103-I110 HydrophobicContact CG1-CG2 3.99Å; T104-I110 CarbonylContact O-C 3.53Å; T104-I110 WeakPolarHBondContact O-CA 3.35Å; T105-I110 HydrophobicContact CG2-CG1 4.18Å; I110-V112 HydrophobicContact CG2-CG2 4.32Å; I110-K130 CarbonylContact O-C 3.49Å; I110-K130 VanDerWaalsContact O-CA 3.31Å; I110-K130 WeakPolarHBondContact O-CA 3.32Å; I110-C131 PolarHBondContact N-O 3.47Å; I110-C131 PolarHBondContact O-N 2.79Å; I110-L133 HydrophobicContact CD1-CD1 3.71Å; I110-L133 HydrophobicContact CD1-CD2 3.63Å; I110-L133 HydrophobicContact CD1-CG 3.79Å; I110-L133 HydrophobicContact CG1-CD1 3.55Å; I110-L133 HydrophobicContact CG1-CD2 4.31Å; I110-L133 HydrophobicContact CG1-CG 3.9Å; I110-I154 HydrophobicContact CD1-CG2 3.77Å; I110-I154 HydrophobicContact CG2-CG2 4.43Å |
| 111 | E | 93.3 | Very high | 93 | Very high | 42 Ų | 42 | 64.5 Ų | 64.5 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 121.2 | 173.3 | -173 | 173.9 | -175.3 | 0 | 0 | 108.9 | V103 T104 R113 H129 K130 | V103-E111 WeakPolarHBondContact CA-O 3.36Å; T104-E111 PolarHBondContact N-O 3.48Å; T104-E111 PolarHBondContact O-N 3.45Å; E111-R113 VanDerWaalsContact CD-NE 3.28Å; E111-R113 HydrophobicContact CG-CG 4.09Å; E111-R113 IonicContact OE1-CZ 2.72Å; E111-R113 IonicContact OE1-NE 2.95Å; E111-R113 PolarHBondContact OE1-NE 3Å; E111-R113 IonicContact OE1-NH2 2.69Å; E111-R113 PolarHBondContact OE1-NH2 2.74Å; E111-R113 IonicContact OE2-CZ 3.33Å; E111-R113 IonicContact OE2-NE 3.13Å; E111-R113 IonicContact OE2-NH2 3.84Å; E111-R113 PolarHBondContact OE2-NH2 2.78Å; E111-H129 CarbonylContact C-O 3.54Å; E111-H129 WeakPolarHBondContact CA-O 3.3Å; E111-K130 HydrophobicContact CB-CG 4.5Å; E111-K130 HydrophobicContact CG-CB 4.47Å |
| 112 | V | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120.1 | 172.3 | -177 | 0 | 0 | 0 | 0 | 107.1 | F89 V91 I101 I102 V103 I110 F127 A128 H129 L152 I154 | F89-V112 HydrophobicContact CE1-CG2 3.86Å; V91-V112 HydrophobicContact CG2-CG1 4.25Å; V91-V112 HydrophobicContact CG2-CG2 4.32Å; I101-V112 HydrophobicContact CG2-CG1 4.08Å; I102-V112 WeakPolarHBondContact O-CA 3.45Å; V103-V112 HydrophobicContact CG2-CG2 4.29Å; I110-V112 HydrophobicContact CG2-CG2 4.32Å; V112-F127 HydrophobicContact CB-CE1 4.22Å; V112-F127 HydrophobicContact CG1-CD1 4.33Å; V112-F127 HydrophobicContact CG1-CE1 3.93Å; V112-A128 CarbonylContact O-C 3.58Å; V112-A128 VanDerWaalsContact O-CA 3.29Å; V112-A128 WeakPolarHBondContact O-CA 3.49Å; V112-H129 PolarHBondContact N-O 2.85Å; V112-H129 PolarHBondContact O-N 2.97Å; V112-L152 HydrophobicContact CG1-CD2 3.8Å; V112-L152 HydrophobicContact CG2-CD2 4.31Å; V112-I154 HydrophobicContact CG2-CD1 3.58Å |
| 113 | R | 94.8 | Very high | 93 | Very high | 133 Ų | 133 | 65.6 Ų | 65.6 | 50% | 0.502 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 144.2 | 172.6 | -64.4 | -174.5 | 176.5 | -179.4 | 3.5 | 109.2 | I101 I102 E111 F127 | I101-R113 CarbonylContact C-O 3.48Å; I101-R113 WeakPolarHBondContact CA-O 3.34Å; I102-R113 PolarHBondContact N-O 2.91Å; I102-R113 PolarHBondContact O-N 2.76Å; E111-R113 VanDerWaalsContact CD-NE 3.28Å; E111-R113 HydrophobicContact CG-CG 4.09Å; E111-R113 IonicContact OE1-CZ 2.72Å; E111-R113 IonicContact OE1-NE 2.95Å; E111-R113 PolarHBondContact OE1-NE 3Å; E111-R113 IonicContact OE1-NH2 2.69Å; E111-R113 PolarHBondContact OE1-NH2 2.74Å; E111-R113 IonicContact OE2-CZ 3.33Å; E111-R113 IonicContact OE2-NE 3.13Å; E111-R113 IonicContact OE2-NH2 3.84Å; E111-R113 PolarHBondContact OE2-NH2 2.78Å; R113-F127 CarbonylContact C-O 3.54Å; R113-F127 VanDerWaalsContact CA-O 3.26Å; R113-F127 WeakPolarHBondContact CA-O 3.3Å |
| 114 | A | 95.1 | Very high | 93 | Very high | 3 Ų | 3 | 69.3 Ų | 69.3 | 3% | 0.025 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 141.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | F96 D100 I101 T126 F127 | F96-A114 HydrophobicContact CB-CB 4.03Å; F96-A114 HydrophobicContact CD1-CB 3.52Å; F96-A114 HydrophobicContact CD2-CB 3.96Å; F96-A114 HydrophobicContact CE1-CB 3.88Å; F96-A114 HydrophobicContact CE2-CB 4.3Å; F96-A114 HydrophobicContact CG-CB 3.56Å; F96-A114 HydrophobicContact CZ-CB 4.26Å; D100-A114 VanDerWaalsContact O-CA 3.24Å; D100-A114 WeakPolarHBondContact O-CA 3.48Å; I101-A114 HydrophobicContact CB-CB 4.46Å; I101-A114 HydrophobicContact CG1-CB 3.79Å; A114-T126 CarbonylContact O-C 3.53Å; A114-T126 WeakPolarHBondContact O-CA 3.35Å; A114-F127 HydrophobicContact CB-CB 4.14Å; A114-F127 PolarHBondContact N-O 2.88Å; A114-F127 PolarHBondContact O-N 3.33Å |
| 115 | E | 95.1 | Very high | 93.1 | Very high | 88 Ų | 88 | 69.3 Ų | 69.3 | 41% | 0.411 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 117.3 | 178.5 | -172.6 | 174.8 | 100.1 | 0 | 0 | 109.2 | D100 L117 V123 N125 | D100-E115 WeakPolarHBondContact CB-O 3.22Å; D100-E115 PolarHBondContact O-N 3.43Å; E115-L117 HydrophobicContact CG-CD2 4.04Å; E115-L117 WeakPolarHBondContact OE1-CD2 3.41Å; E115-V123 HydrophobicContact CG-CG1 3.86Å; E115-V123 HydrophobicContact CG-CG2 4.13Å; E115-N125 CarbonylContact C-O 3.59Å; E115-N125 WeakPolarHBondContact CA-O 3.35Å |
| 116 | K | 94.3 | Very high | 93.3 | Very high | 62 Ų | 62 | 71 Ų | 71 | 27% | 0.27 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 123.3 | 175.5 | -176.7 | 165.1 | 67.5 | -165.2 | 0 | 109.1 | D95 F96 M124 N125 | D95-K116 PolarHBondContact O-NZ 2.75Å; D95-K116 VanDerWaalsContact O-NZ 3.07Å; F96-K116 HydrophobicContact CD1-CB 3.96Å; F96-K116 HydrophobicContact CE1-CB 4.07Å; K116-M124 HydrophobicContact CG-CB 4.47Å; K116-M124 WeakPolarHBondContact O-CB 3.18Å; K116-M124 PolarHBondContact O-N 3.17Å; K116-N125 HydrophobicContact CB-CB 4.05Å; K116-N125 PolarHBondContact N-O 3.34Å; K116-N125 PolarHBondContact O-N 2.74Å |
| 117 | L | 94.1 | Very high | 93.5 | Very high | 82 Ų | 82 | 70 Ų | 70 | 43% | 0.429 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 146.7 | 176.8 | -59.1 | -179.2 | 0 | 0 | 0 | 111.4 | E115 T122 V123 | E115-L117 HydrophobicContact CG-CD2 4.04Å; E115-L117 WeakPolarHBondContact OE1-CD2 3.41Å; L117-T122 CarbonylContact C-O 3.56Å; L117-T122 WeakPolarHBondContact CA-O 3.38Å; L117-V123 HydrophobicContact CD2-CB 4.24Å; L117-V123 HydrophobicContact CD2-CG2 3.64Å |
| 118 | A | 93.4 | Very high | 93.7 | Very high | 29 Ų | 29 | 66.4 Ų | 66.4 | 24% | 0.24 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 169.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | D120 G121 T122 M124 | A118-D120 WeakPolarHBondContact CB-OD1 3.47Å; A118-D120 PolarHBondContact O-N 3.3Å; A118-D120 VanDerWaalsContact O-N 3.15Å; A118-G121 PolarHBondContact O-N 3.4Å; A118-T122 PolarHBondContact N-O 3.23Å; A118-M124 HydrophobicContact CB-CG 3.68Å; A118-M124 HydrophobicContact CB-SD 3.69Å |
| 119 | A | 92.9 | Very high | 93.9 | Very high | 119 Ų | 119 | 65.2 Ų | 65.2 | 98% | 0.983 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | G121 | A119-G121 VanDerWaalsContact C-N 3.32Š|
| 120 | D | 94.7 | Very high | 94 | Very high | 122 Ų | 122 | 68.5 Ų | 68.5 | 65% | 0.652 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -0.5 | 175 | 67 | -22 | 0 | 0 | 0 | 113.1 | A118 T122 | A118-D120 WeakPolarHBondContact CB-OD1 3.47Å; A118-D120 PolarHBondContact O-N 3.3Å; A118-D120 VanDerWaalsContact O-N 3.15Å; D120-T122 VanDerWaalsContact CG-OG1 3.23Å; D120-T122 WeakPolarHBondContact OD1-CB 3.31Å; D120-T122 PolarHBondContact OD1-N 2.62Å; D120-T122 PolarHBondContact OD1-OG1 2.95Å; D120-T122 PolarHBondContact OD2-OG1 3.41Å |
| 121 | G | 91.8 | Very high | 93.9 | Very high | 47 Ų | 47 | 68.5 Ų | 68.5 | 49% | 0.485 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 84.6 | 6.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | A118 A119 | A118-G121 PolarHBondContact O-N 3.4Å; A119-G121 VanDerWaalsContact C-N 3.32Å |
| 122 | T | 95.4 | Very high | 93.9 | Very high | 78 Ų | 78 | 72.1 Ų | 72.1 | 48% | 0.479 | 40% | 0.404 | S | S | . | . | trans | -73.5 | 132.5 | 176.9 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | L117 A118 D120 M124 | L117-T122 CarbonylContact C-O 3.56Å; L117-T122 WeakPolarHBondContact CA-O 3.38Å; A118-T122 PolarHBondContact N-O 3.23Å; D120-T122 VanDerWaalsContact CG-OG1 3.23Å; D120-T122 WeakPolarHBondContact OD1-CB 3.31Å; D120-T122 PolarHBondContact OD1-N 2.62Å; D120-T122 PolarHBondContact OD1-OG1 2.95Å; D120-T122 PolarHBondContact OD2-OG1 3.41Å; T122-M124 PolarHBondContact O-N 3.29Å | ||
| 123 | V | 94.5 | Very high | 93.6 | Very high | 72 Ų | 72 | 72.6 Ų | 72.6 | 44% | 0.436 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 115.6 | 175 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | E115 L117 T126 | E115-V123 HydrophobicContact CG-CG1 3.86Å; E115-V123 HydrophobicContact CG-CG2 4.13Å; L117-V123 HydrophobicContact CD2-CB 4.24Å; L117-V123 HydrophobicContact CD2-CG2 3.64Å; V123-T126 WeakPolarHBondContact CG1-OG1 3.31Å |
| 124 | M | 95 | Very high | 93.4 | Very high | 125 Ų | 125 | 68 Ų | 68 | 62% | 0.616 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -37.6 | 177.6 | -65.8 | -173 | 71.8 | 0 | 0 | 112.6 | K116 A118 T122 | K116-M124 HydrophobicContact CG-CB 4.47Å; K116-M124 WeakPolarHBondContact O-CB 3.18Å; K116-M124 PolarHBondContact O-N 3.17Å; A118-M124 HydrophobicContact CB-CG 3.68Å; A118-M124 HydrophobicContact CB-SD 3.69Å; T122-M124 PolarHBondContact O-N 3.29Å |
| 125 | N | 94.8 | Very high | 93 | Very high | 58 Ų | 58 | 76.2 Ų | 76.2 | 31% | 0.31 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 147.7 | -178.9 | -163.4 | 12.4 | 0 | 0 | 0 | 110.4 | F96 E115 K116 | F96-N125 HydrophobicContact CE1-CB 3.9Å; F96-N125 HydrophobicContact CZ-CB 4.03Å; F96-N125 VanDerWaalsContact CZ-CG 3.49Å; F96-N125 WeakPolarHBondContact CZ-ND2 3.34Å; E115-N125 CarbonylContact C-O 3.59Å; E115-N125 WeakPolarHBondContact CA-O 3.35Å; K116-N125 HydrophobicContact CB-CB 4.05Å; K116-N125 PolarHBondContact N-O 3.34Å; K116-N125 PolarHBondContact O-N 2.74Å |
| 126 | T | 94.7 | Very high | 92.7 | Very high | 85 Ų | 85 | 74.5 Ų | 74.5 | 52% | 0.521 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 137.2 | 175.9 | -50.1 | 0 | 0 | 0 | 0 | 109.4 | A114 V123 | A114-T126 CarbonylContact O-C 3.53Å; A114-T126 WeakPolarHBondContact O-CA 3.35Å; V123-T126 WeakPolarHBondContact CG1-OG1 3.31Å |
| 127 | F | 94.8 | Very high | 92.5 | Very high | 48 Ų | 48 | 71.8 Ų | 71.8 | 21% | 0.211 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.5 | 173.5 | 174.6 | -95.1 | 0 | 0 | 0 | 109 | V91 V93 F96 V112 R113 A114 H129 | V91-F127 HydrophobicContact CB-CZ 4.14Å; V91-F127 HydrophobicContact CG1-CZ 4.37Å; V91-F127 HydrophobicContact CG2-CE1 4.49Å; V93-F127 HydrophobicContact CG1-CD1 4.19Å; V93-F127 HydrophobicContact CG1-CE1 3.97Å; V93-F127 HydrophobicContact CG1-CZ 4.43Å; F96-F127 HydrophobicContact CD2-CB 4.38Å; F96-F127 HydrophobicContact CE1-CB 4.4Å; F96-F127 HydrophobicContact CE2-CB 3.49Å; F96-F127 VanDerWaalsContact CE2-CB 3.49Å; F96-F127 HydrophobicContact CE2-CG 4.29Å; F96-F127 HydrophobicContact CZ-CB 3.5Å; F96-F127 VanDerWaalsContact CZ-CB 3.5Å; V112-F127 HydrophobicContact CB-CE1 4.22Å; V112-F127 HydrophobicContact CG1-CD1 4.33Å; V112-F127 HydrophobicContact CG1-CE1 3.93Å; R113-F127 CarbonylContact C-O 3.54Å; R113-F127 VanDerWaalsContact CA-O 3.26Å; R113-F127 WeakPolarHBondContact CA-O 3.3Å; A114-F127 HydrophobicContact CB-CB 4.14Å; A114-F127 PolarHBondContact N-O 2.88Å; A114-F127 PolarHBondContact O-N 3.33Å; F127-H129 HydrophobicContact CE1-CB 3.73Å; F127-H129 HydrophobicContact CE2-CB 4.38Å; F127-H129 HydrophobicContact CZ-CB 3.53Å |
| 128 | A | 93.7 | Very high | 92.2 | Very high | 71 Ų | 71 | 69.6 Ų | 69.6 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 122.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | V112 | V112-A128 CarbonylContact O-C 3.58Å; V112-A128 VanDerWaalsContact O-CA 3.29Å; V112-A128 WeakPolarHBondContact O-CA 3.49Å |
| 129 | H | 93.1 | Very high | 91.7 | Very high | 58 Ų | 58 | 72.4 Ų | 72.4 | 27% | 0.269 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131.3 | 173.4 | -162.5 | 105.8 | 0 | 0 | 0 | 110 | F89 V91 E111 V112 F127 | F89-H129 AromaticContact CE2-CD2 3.66Å; F89-H129 AromaticContact CE2-NE2 3.65Å; F89-H129 AromaticContact CZ-CD2 3.18Å; F89-H129 WeakPolarHBondContact CZ-CD2 3.35Å; F89-H129 AromaticContact CZ-CG 3.95Å; F89-H129 AromaticContact CZ-NE2 3.68Å; V91-H129 HydrophobicContact CG1-CB 4.3Å; E111-H129 CarbonylContact C-O 3.54Å; E111-H129 WeakPolarHBondContact CA-O 3.3Å; V112-H129 PolarHBondContact N-O 2.85Å; V112-H129 PolarHBondContact O-N 2.97Å; F127-H129 HydrophobicContact CE1-CB 3.73Å; F127-H129 HydrophobicContact CE2-CB 4.38Å; F127-H129 HydrophobicContact CZ-CB 3.53Å |
| 130 | K | 91.8 | Very high | 91.3 | Very high | 115 Ų | 115 | 72.7 Ų | 72.7 | 50% | 0.5 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 134.3 | -178 | -175.6 | 173.9 | 175.9 | 174.3 | 0 | 110.2 | H109 I110 E111 | H109-K130 HydrophobicContact CB-CG 4.45Å; H109-K130 WeakPolarHBondContact CD2-CE 3.31Å; H109-K130 VanDerWaalsContact CG-CE 3.45Å; I110-K130 CarbonylContact O-C 3.49Å; I110-K130 VanDerWaalsContact O-CA 3.31Å; I110-K130 WeakPolarHBondContact O-CA 3.32Å; E111-K130 HydrophobicContact CB-CG 4.5Å; E111-K130 HydrophobicContact CG-CB 4.47Å |
| 131 | C | 91 | Very high | 91 | Very high | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.014 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 152.7 | 172.5 | 62.3 | 0 | 0 | 0 | 0 | 110.1 | I80 F89 H109 I110 | I80-C131 HydrophobicContact CD1-CB 3.96Å; I80-C131 VanDerWaalsContact CD1-SG 3.55Å; I80-C131 HydrophobicContact CG1-CB 4.36Å; F89-C131 HydrophobicContact CD2-CB 4.16Å; F89-C131 HydrophobicContact CE2-CB 4.04Å; F89-C131 VanDerWaalsContact CG-SG 3.57Å; F89-C131 HydrophobicContact CZ-CB 4.37Å; H109-C131 CarbonylContact C-O 3.58Å; H109-C131 VanDerWaalsContact CA-O 3.28Å; H109-C131 WeakPolarHBondContact CA-O 3.48Å; I110-C131 PolarHBondContact N-O 3.47Å; I110-C131 PolarHBondContact O-N 2.79Å |
| 132 | Q | 91.4 | Very high | 91 | Very high | 118 Ų | 118 | 67.8 Ų | 67.8 | 55% | 0.551 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126.3 | 178.2 | -169.5 | 161.4 | 26.5 | 0 | 0 | 109 | I80 H109 | I80-Q132 WeakPolarHBondContact CD1-O 3.21Å; H109-Q132 PolarHBondContact CE1-NE2 2.81Å |
| 133 | L | 89.8 | Confident | 90.9 | Very high | 9 Ų | 9 | 68.2 Ų | 68.2 | 5% | 0.047 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 147.2 | 171.6 | -73.2 | 168.8 | 0 | 0 | 0 | 110 | I80 T105 N108 I110 V137 | I80-L133 HydrophobicContact CD1-CD2 3.73Å; I80-L133 HydrophobicContact CD1-CG 4.33Å; T105-L133 HydrophobicContact CG2-CD1 3.95Å; N108-L133 HydrophobicContact CB-CB 4.47Å; N108-L133 PolarHBondContact O-N 2.79Å; I110-L133 HydrophobicContact CD1-CD1 3.71Å; I110-L133 HydrophobicContact CD1-CD2 3.63Å; I110-L133 HydrophobicContact CD1-CG 3.79Å; I110-L133 HydrophobicContact CG1-CD1 3.55Å; I110-L133 HydrophobicContact CG1-CD2 4.31Å; I110-L133 HydrophobicContact CG1-CG 3.9Å; L133-V137 HydrophobicContact CB-CB 4.39Å; L133-V137 HydrophobicContact CB-CG2 4.07Å; L133-V137 HydrophobicContact CD1-CG1 4.02Å; L133-V137 HydrophobicContact CD2-CG1 4.3Å; L133-V137 HydrophobicContact CD2-CG2 4.07Å |
| 134 | P | 89.8 | Confident | 90.8 | Very high | 38 Ų | 38 | 68.4 Ų | 68.4 | 25% | 0.247 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 161.2 | 167.9 | -29.1 | 43 | 0 | 0 | 0 | 112.7 | Y87 D136 V137 | Y87-P134 HydrophobicContact CD1-CG 4.23Å; Y87-P134 HydrophobicContact CD2-CG 4.49Å; Y87-P134 HydrophobicContact CE1-CB 4.47Å; Y87-P134 HydrophobicContact CE1-CG 3.61Å; Y87-P134 HydrophobicContact CE2-CB 3.99Å; Y87-P134 HydrophobicContact CE2-CG 3.83Å; Y87-P134 WeakPolarHBondContact OH-CB 3.06Å; Y87-P134 WeakPolarHBondContact OH-CG 3.13Å; P134-D136 VanDerWaalsContact C-N 3.26Å; P134-D136 VanDerWaalsContact CB-OD1 3.31Å; P134-D136 WeakPolarHBondContact CB-OD1 3.42Å; P134-D136 PolarHBondContact O-N 2.85Å; P134-V137 HydrophobicContact CB-CG2 4.37Å; P134-V137 WeakPolarHBondContact O-CG2 3.41Å; P134-V137 PolarHBondContact O-N 2.59Å |
| 135 | E | 87.3 | Confident | 90.8 | Very high | 175 Ų | 175 | 65.4 Ų | 65.4 | 82% | 0.818 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -24 | -178.6 | 65.3 | -173 | 137.7 | 0 | 0 | 113.3 | V137 | E135-V137 PolarHBondContact O-N 2.82Š|
| 136 | D | 88.9 | Confident | 90.7 | Very high | 51 Ų | 51 | 65.9 Ų | 65.9 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 8.7 | 178.6 | 53.5 | -68.9 | 0 | 0 | 0 | 113.5 | Y87 P134 R158 H159 | Y87-D136 PolarHBondContact OH-OD2 3.3Å; P134-D136 VanDerWaalsContact C-N 3.26Å; P134-D136 VanDerWaalsContact CB-OD1 3.31Å; P134-D136 WeakPolarHBondContact CB-OD1 3.42Å; P134-D136 PolarHBondContact O-N 2.85Å; D136-R158 CarbonylContact O-C 3.57Å; D136-R158 WeakPolarHBondContact O-CA 3.06Å; D136-R158 IonicContact OD2-CZ 2.7Å; D136-R158 VanDerWaalsContact OD2-CZ 3.28Å; D136-R158 IonicContact OD2-NE 3.12Å; D136-R158 PolarHBondContact OD2-NE 3.07Å; D136-R158 IonicContact OD2-NH2 3.48Å; D136-R158 PolarHBondContact OD2-NH2 3.3Å; D136-H159 PolarHBondContact O-N 2.82Å; D136-H159 PolarHBondContact O-ND1 2.82Å |
| 137 | V | 90.1 | Very high | 90.7 | Very high | 6 Ų | 6 | 70 Ų | 70 | 4% | 0.036 | 39% | 0.385 | C | S | . | . | B | Isolated β-bridge | trans | -79.8 | 136.6 | 178.1 | 175.9 | 0 | 0 | 0 | 0 | 112.4 | Y87 L133 P134 E135 P139 A156 H159 | Y87-V137 HydrophobicContact CD2-CG2 3.28Å; Y87-V137 HydrophobicContact CE2-CG2 3.34Å; Y87-V137 HydrophobicContact CG-CG2 4.36Å; L133-V137 HydrophobicContact CB-CB 4.39Å; L133-V137 HydrophobicContact CB-CG2 4.07Å; L133-V137 HydrophobicContact CD1-CG1 4.02Å; L133-V137 HydrophobicContact CD2-CG1 4.3Å; L133-V137 HydrophobicContact CD2-CG2 4.07Å; P134-V137 HydrophobicContact CB-CG2 4.37Å; P134-V137 WeakPolarHBondContact O-CG2 3.41Å; P134-V137 PolarHBondContact O-N 2.59Å; E135-V137 PolarHBondContact O-N 2.82Å; V137-P139 WeakPolarHBondContact O-CD 3.28Å; V137-A156 HydrophobicContact CG1-CB 3.61Å; V137-H159 VanDerWaalsContact C-ND1 3.29Å; V137-H159 PolarHBondContact O-CE1 3.33Å; V137-H159 PolarHBondContact O-ND1 2.79Å; V137-H159 VanDerWaalsContact O-ND1 3.17Å |
| 138 | D | 86.8 | Confident | 90.5 | Very high | 35 Ų | 35 | 77.5 Ų | 77.5 | 19% | 0.187 | 42% | 0.421 | C | S | . | . | trans | -83.9 | 114 | 169 | -177.6 | -69.1 | 0 | 0 | 0 | 110.4 | T140 S141 R157 H159 | D138-T140 VanDerWaalsContact C-N 3.25Å; D138-T140 PolarHBondContact O-N 2.83Å; D138-T140 VanDerWaalsContact OD1-CA 3.3Å; D138-T140 WeakPolarHBondContact OD1-CA 3.49Å; D138-T140 WeakPolarHBondContact OD1-CB 3.19Å; D138-T140 PolarHBondContact OD1-N 3.49Å; D138-T140 PolarHBondContact OD1-OG1 2.89Å; D138-S141 PolarHBondContact O-N 3.08Å; D138-S141 PolarHBondContact O-OG 2.78Å; D138-S141 WeakPolarHBondContact OD1-CB 3.22Å; D138-S141 PolarHBondContact OD1-N 2.67Å; D138-R157 PolarHBondContact N-O 3.45Å; D138-H159 WeakPolarHBondContact CA-CE1 3.31Å; D138-H159 PolarHBondContact N-ND1 3.32Å; D138-H159 IonicContact OD2-CD2 3.94Å; D138-H159 IonicContact OD2-NE2 2.78Å; D138-H159 PolarHBondContact OD2-NE2 2.82Å | ||
| 139 | P | 82.4 | Confident | 90.3 | Very high | 88 Ų | 88 | 78.5 Ų | 78.5 | 57% | 0.571 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -71.2 | -18.4 | -176.8 | 29.4 | -35.4 | 0 | 0 | 0 | 113.5 | V137 V142 | V137-P139 WeakPolarHBondContact O-CD 3.28Å; P139-V142 WeakPolarHBondContact O-CG2 3.39Å |
| 140 | T | 85.1 | Confident | 90.2 | Very high | 126 Ų | 126 | 76.2 Ų | 76.2 | 77% | 0.773 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -82.1 | -20.1 | 178.3 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | D138 V142 | D138-T140 VanDerWaalsContact C-N 3.25Å; D138-T140 PolarHBondContact O-N 2.83Å; D138-T140 VanDerWaalsContact OD1-CA 3.3Å; D138-T140 WeakPolarHBondContact OD1-CA 3.49Å; D138-T140 WeakPolarHBondContact OD1-CB 3.19Å; D138-T140 PolarHBondContact OD1-N 3.49Å; D138-T140 PolarHBondContact OD1-OG1 2.89Å; T140-V142 VanDerWaalsContact C-N 3.33Å |
| 141 | S | 89.2 | Confident | 90.3 | Very high | 28 Ų | 28 | 72.1 Ų | 72.1 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -86.7 | 1.3 | -179 | 76.3 | 0 | 0 | 0 | 0 | 114.8 | D138 T143 R157 | D138-S141 PolarHBondContact O-N 3.08Å; D138-S141 PolarHBondContact O-OG 2.78Å; D138-S141 WeakPolarHBondContact OD1-CB 3.22Å; D138-S141 PolarHBondContact OD1-N 2.67Å; S141-T143 PolarHBondContact O-N 2.97Å; S141-R157 WeakPolarHBondContact OG-CA 3.48Å; S141-R157 WeakPolarHBondContact OG-CB 3.23Å; S141-R157 PolarHBondContact OG-N 2.75Å; S141-R157 PolarHBondContact OG-O 3.21Å |
| 142 | V | 91.3 | Very high | 90.4 | Very high | 37 Ų | 37 | 72.4 Ų | 72.4 | 22% | 0.224 | 40% | 0.395 | C | S | . | . | trans | -67.9 | 126.6 | -178.2 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | T105 P139 T140 I154 R155 A156 | T105-V142 HydrophobicContact CG2-CG2 4.28Å; P139-V142 WeakPolarHBondContact O-CG2 3.39Å; T140-V142 VanDerWaalsContact C-N 3.33Å; V142-I154 HydrophobicContact CG1-CG2 3.85Å; V142-R155 CarbonylContact C-O 3.45Å; V142-R155 WeakPolarHBondContact CA-O 3.43Å; V142-A156 HydrophobicContact CG2-CB 3.9Å | ||
| 143 | T | 92.8 | Very high | 90.6 | Very high | 87 Ų | 87 | 68.5 Ų | 68.5 | 53% | 0.534 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 147.8 | 179.1 | 51.8 | 0 | 0 | 0 | 0 | 109.4 | S141 I154 R155 | S141-T143 PolarHBondContact O-N 2.97Å; T143-I154 CarbonylContact O-C 3.55Å; T143-I154 WeakPolarHBondContact O-CA 3.35Å; T143-R155 PolarHBondContact N-O 2.76Å; T143-R155 PolarHBondContact O-N 3.46Å; T143-R155 PolarHBondContact OG1-O 3.04Å |
| 144 | S | 93.5 | Very high | 90.8 | Very high | 76 Ų | 76 | 68.2 Ų | 68.2 | 53% | 0.531 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 146.3 | 176.3 | 57.7 | 0 | 0 | 0 | 0 | 110.6 | T153 | S144-T153 CarbonylContact C-O 3.58Å; S144-T153 VanDerWaalsContact CA-O 3.31Å; S144-T153 WeakPolarHBondContact CA-O 3.46Å |
| 145 | A | 94 | Very high | 91 | Very high | 62 Ų | 62 | 70.5 Ų | 70.5 | 51% | 0.512 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 117.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | T153 | A145-T153 PolarHBondContact N-O 3.03Å; A145-T153 PolarHBondContact O-N 2.79Å |
| 146 | L | 93.6 | Very high | 91.3 | Very high | 69 Ų | 69 | 62.3 Ų | 62.3 | 36% | 0.361 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 126 | 171 | -178 | 64.6 | 0 | 0 | 0 | 108.9 | V93 P98 I101 L152 | V93-L146 HydrophobicContact CG2-CD1 3.48Å; V93-L146 VanDerWaalsContact CG2-CD1 3.48Å; P98-L146 HydrophobicContact CB-CD2 3.81Å; I101-L146 HydrophobicContact CD1-CD2 4.25Å; L146-L152 HydrophobicContact CB-CD1 4.01Å; L146-L152 HydrophobicContact CD1-CB 3.97Å; L146-L152 HydrophobicContact CD1-CD1 4.46Å |
| 147 | R | 93.5 | Very high | 91.4 | Very high | 171 Ų | 171 | 65.7 Ų | 65.7 | 65% | 0.645 | 35% | 0.353 | S | S | * | . | trans | -92.1 | 155.5 | 173.9 | -179.9 | -173.3 | -66.4 | -103.7 | 4.7 | 110 | D149 G150 S151 | R147-D149 WeakPolarHBondContact CB-OD1 3.42Å; R147-D149 WeakPolarHBondContact CD-OD1 3.24Å; R147-D149 VanDerWaalsContact CD-OD2 3.32Å; R147-D149 WeakPolarHBondContact CD-OD2 3.26Å; R147-D149 HydrophobicContact CG-CB 4.48Å; R147-D149 WeakPolarHBondContact CG-OD1 3.45Å; R147-D149 PolarHBondContact O-N 2.79Å; R147-D149 VanDerWaalsContact O-N 3.17Å; R147-G150 PolarHBondContact O-N 2.8Å; R147-S151 PolarHBondContact N-O 2.89Å | ||
| 148 | E | 91.9 | Very high | 91.5 | Very high | 205 Ų | 205 | 69.8 Ų | 69.8 | 96% | 0.958 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21.6 | 179.6 | -167.2 | 177.2 | 167.5 | 0 | 0 | 113.9 | G150 | E148-G150 PolarHBondContact O-N 2.83Š|
| 149 | D | 89.8 | Confident | 91.2 | Very high | 93 Ų | 93 | 72.5 Ų | 72.5 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -0.6 | 173.9 | 69.4 | -17.4 | 0 | 0 | 0 | 113.7 | R147 S151 | R147-D149 WeakPolarHBondContact CB-OD1 3.42Å; R147-D149 WeakPolarHBondContact CD-OD1 3.24Å; R147-D149 VanDerWaalsContact CD-OD2 3.32Å; R147-D149 WeakPolarHBondContact CD-OD2 3.26Å; R147-D149 HydrophobicContact CG-CB 4.48Å; R147-D149 WeakPolarHBondContact CG-OD1 3.45Å; R147-D149 PolarHBondContact O-N 2.79Å; R147-D149 VanDerWaalsContact O-N 3.17Å; D149-S151 WeakPolarHBondContact OD1-CB 3.47Å; D149-S151 PolarHBondContact OD1-N 2.89Å |
| 150 | G | 90 | Very high | 90.5 | Very high | 9 Ų | 9 | 73.1 Ų | 73.1 | 9% | 0.093 | 38% | 0.383 | C | S | . | . | S | Bend | trans | 85.1 | 10.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V93 R94 R147 E148 | V93-G150 WeakPolarHBondContact CG2-O 3.18Å; V93-G150 PolarHBondContact N-O 2.93Å; R94-G150 PolarHBondContact N-O 3.26Å; R147-G150 PolarHBondContact O-N 2.8Å; E148-G150 PolarHBondContact O-N 2.83Å |
| 151 | S | 93.4 | Very high | 89.1 | Confident | 30 Ų | 30 | 74.6 Ų | 74.6 | 21% | 0.21 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 115.3 | 174.7 | -167.6 | 0 | 0 | 0 | 0 | 111.4 | R147 D149 | R147-S151 PolarHBondContact N-O 2.89Å; D149-S151 WeakPolarHBondContact OD1-CB 3.47Å; D149-S151 PolarHBondContact OD1-N 2.89Å |
| 152 | L | 94.5 | Very high | 87.4 | Confident | 7 Ų | 7 | 79.2 Ų | 79.2 | 4% | 0.037 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 118.9 | 172.2 | 179.2 | 70 | 0 | 0 | 0 | 109.6 | A90 V91 V93 I101 V103 V112 L146 I154 | A90-L152 WeakPolarHBondContact CA-O 3.33Å; V91-L152 HydrophobicContact CG2-CB 3.88Å; V91-L152 HydrophobicContact CG2-CD2 4.03Å; V91-L152 HydrophobicContact CG2-CG 4.33Å; V91-L152 PolarHBondContact N-O 3.25Å; V91-L152 PolarHBondContact O-N 2.86Å; V93-L152 HydrophobicContact CG2-CB 3.79Å; I101-L152 HydrophobicContact CG2-CD2 3.96Å; V103-L152 HydrophobicContact CG2-CD2 3.97Å; V112-L152 HydrophobicContact CG1-CD2 3.8Å; V112-L152 HydrophobicContact CG2-CD2 4.31Å; L146-L152 HydrophobicContact CB-CD1 4.01Å; L146-L152 HydrophobicContact CD1-CB 3.97Å; L146-L152 HydrophobicContact CD1-CD1 4.46Å; L152-I154 HydrophobicContact CD2-CD1 3.88Å; L152-I154 HydrophobicContact CD2-CG1 4.5Å; L152-I154 HydrophobicContact CG-CD1 3.95Å; L152-I154 HydrophobicContact CG-CG1 4.35Å |
| 153 | T | 94.3 | Very high | 85.4 | Confident | 37 Ų | 37 | 83.9 Ų | 83.9 | 23% | 0.227 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127.5 | 174.1 | -51.9 | 0 | 0 | 0 | 0 | 109.6 | E88 F89 S144 A145 | E88-T153 HydrophobicContact CG-CG2 3.64Å; F89-T153 CarbonylContact O-C 3.55Å; F89-T153 WeakPolarHBondContact O-CA 3.29Å; S144-T153 CarbonylContact C-O 3.58Å; S144-T153 VanDerWaalsContact CA-O 3.31Å; S144-T153 WeakPolarHBondContact CA-O 3.46Å; A145-T153 PolarHBondContact N-O 3.03Å; A145-T153 PolarHBondContact O-N 2.79Å |
| 154 | I | 94.7 | Very high | 83.3 | Confident | 2 Ų | 2 | 87.9 Ų | 87.9 | 1% | 0.01 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.4 | 172.8 | -57.5 | 111.3 | 0 | 0 | 0 | 108.3 | E88 F89 V103 I110 V112 V142 T143 L152 | E88-I154 CarbonylContact C-O 3.56Å; E88-I154 WeakPolarHBondContact CA-O 3.49Å; F89-I154 HydrophobicContact CB-CB 4.48Å; F89-I154 HydrophobicContact CD1-CB 4.36Å; F89-I154 HydrophobicContact CD1-CD1 3.54Å; F89-I154 HydrophobicContact CE1-CD1 3.93Å; F89-I154 PolarHBondContact N-O 3.49Å; F89-I154 PolarHBondContact O-N 2.76Å; V103-I154 HydrophobicContact CG1-CG1 4.24Å; V103-I154 HydrophobicContact CG2-CG1 4.49Å; I110-I154 HydrophobicContact CD1-CG2 3.77Å; I110-I154 HydrophobicContact CG2-CG2 4.43Å; V112-I154 HydrophobicContact CG2-CD1 3.58Å; V142-I154 HydrophobicContact CG1-CG2 3.85Å; T143-I154 CarbonylContact O-C 3.55Å; T143-I154 WeakPolarHBondContact O-CA 3.35Å; L152-I154 HydrophobicContact CD2-CD1 3.88Å; L152-I154 HydrophobicContact CD2-CG1 4.5Å; L152-I154 HydrophobicContact CG-CD1 3.95Å; L152-I154 HydrophobicContact CG-CG1 4.35Å |
| 155 | R | 93.6 | Very high | 81.4 | Confident | 87 Ų | 87 | 89.7 Ų | 89.7 | 33% | 0.328 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.3 | -179.2 | -172 | 177.8 | 177.6 | 178.4 | 0.2 | 110.7 | A86 Y87 V142 T143 | A86-R155 HydrophobicContact CB-CG 4.11Å; Y87-R155 CarbonylContact O-C 3.57Å; Y87-R155 VanDerWaalsContact O-CA 3.22Å; Y87-R155 WeakPolarHBondContact O-CA 3.42Å; Y87-R155 WeakPolarHBondContact O-CG 3.32Å; V142-R155 CarbonylContact C-O 3.45Å; V142-R155 WeakPolarHBondContact CA-O 3.43Å; T143-R155 PolarHBondContact N-O 2.76Å; T143-R155 PolarHBondContact O-N 3.46Å; T143-R155 PolarHBondContact OG1-O 3.04Å |
| 156 | A | 93.2 | Very high | 79.4 | Confident | 2 Ų | 2 | 94.2 Ų | 94.2 | 2% | 0.017 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 137.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | A86 Y87 V137 V142 | A86-A156 CarbonylContact C-O 3.52Å; A86-A156 WeakPolarHBondContact CA-O 3.45Å; A86-A156 WeakPolarHBondContact CB-O 3.3Å; Y87-A156 PolarHBondContact N-O 3.31Å; Y87-A156 PolarHBondContact O-N 3.44Å; V137-A156 HydrophobicContact CG1-CB 3.61Å; V142-A156 HydrophobicContact CG2-CB 3.9Å |
| 157 | R | 92.8 | Very high | 77.5 | Confident | 122 Ų | 122 | 97.2 Ų | 97.2 | 46% | 0.46 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 150.8 | 173.2 | -63.7 | -74.4 | -152.5 | 178.7 | 7.6 | 110.1 | D85 D138 S141 | D85-R157 IonicContact OD1-NH1 3.91Å; D85-R157 VanDerWaalsContact OD2-CD 3.24Å; D85-R157 WeakPolarHBondContact OD2-CD 3.25Å; D85-R157 IonicContact OD2-CZ 3.78Å; D85-R157 IonicContact OD2-NE 3.36Å; D85-R157 IonicContact OD2-NH1 3.92Å; D85-R157 PolarHBondContact OD2-NH1 3Å; D138-R157 PolarHBondContact N-O 3.45Å; S141-R157 WeakPolarHBondContact OG-CA 3.48Å; S141-R157 WeakPolarHBondContact OG-CB 3.23Å; S141-R157 PolarHBondContact OG-N 2.75Å; S141-R157 PolarHBondContact OG-O 3.21Å |
| 158 | R | 90.6 | Very high | 76.1 | Confident | 93 Ų | 93 | 95.1 Ų | 95.1 | 35% | 0.351 | 48% | 0.476 | S | S | . | . | B | Isolated β-bridge | trans | -80.2 | 139.8 | 165.6 | -59 | 176.7 | 71.9 | -163.7 | -1.3 | 107.1 | G84 D85 Y87 D136 P160 | G84-R158 WeakPolarHBondContact O-CD 3.23Å; G84-R158 PolarHBondContact O-NH1 3.09Å; G84-R158 VanDerWaalsContact O-NH1 3.09Å; D85-R158 VanDerWaalsContact O-CB 3.23Å; D85-R158 WeakPolarHBondContact O-CB 3.32Å; D85-R158 VanDerWaalsContact O-CG 3.23Å; D85-R158 WeakPolarHBondContact O-CG 3.38Å; D85-R158 PolarHBondContact O-N 3.12Å; Y87-R158 HydrophobicContact CD2-CG 3.78Å; Y87-R158 HydrophobicContact CE2-CG 3.35Å; Y87-R158 PolarHBondContact OH-NE 3.11Å; D136-R158 CarbonylContact O-C 3.57Å; D136-R158 WeakPolarHBondContact O-CA 3.06Å; D136-R158 IonicContact OD2-CZ 2.7Å; D136-R158 VanDerWaalsContact OD2-CZ 3.28Å; D136-R158 IonicContact OD2-NE 3.12Å; D136-R158 PolarHBondContact OD2-NE 3.07Å; D136-R158 IonicContact OD2-NH2 3.48Å; D136-R158 PolarHBondContact OD2-NH2 3.3Å; R158-P160 WeakPolarHBondContact O-CD 3.43Å; R158-P160 VanDerWaalsContact O-N 3.17Å |
| 159 | H | 81.4 | Confident | 75.3 | Confident | 91 Ų | 91 | 93.2 Ų | 93.2 | 42% | 0.421 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 124.8 | 165.4 | -75.8 | 96.5 | 0 | 0 | 0 | 107 | D136 V137 D138 H161 | D136-H159 PolarHBondContact O-N 2.82Å; D136-H159 PolarHBondContact O-ND1 2.82Å; V137-H159 VanDerWaalsContact C-ND1 3.29Å; V137-H159 PolarHBondContact O-CE1 3.33Å; V137-H159 PolarHBondContact O-ND1 2.79Å; V137-H159 VanDerWaalsContact O-ND1 3.17Å; D138-H159 WeakPolarHBondContact CA-CE1 3.31Å; D138-H159 PolarHBondContact N-ND1 3.32Å; D138-H159 IonicContact OD2-CD2 3.94Å; D138-H159 IonicContact OD2-NE2 2.78Å; D138-H159 PolarHBondContact OD2-NE2 2.82Å; H159-H161 PolarHBondContact O-N 2.76Å; H159-H161 VanDerWaalsContact O-N 3.12Å |
| 160 | P | 66.3 | Low | 74.8 | Confident | 102 Ų | 102 | 98.2 Ų | 98.2 | 66% | 0.662 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -57 | 126.5 | 162.3 | 25.9 | -30.1 | 0 | 0 | 0 | 104.9 | R158 T162 | R158-P160 WeakPolarHBondContact O-CD 3.43Å; R158-P160 VanDerWaalsContact O-N 3.17Å; P160-T162 PolarHBondContact O-N 2.69Å; P160-T162 PolarHBondContact O-OG1 3.35Å |
| 161 | H | 56.3 | Low | 74.3 | Confident | 157 Ų | 157 | 103.7 Ų | 103.7 | 73% | 0.727 | 51% | 0.509 | S | S | * | . | trans | -57.8 | 96.1 | 167.3 | -160.6 | -98.5 | 0 | 0 | 0 | 104.8 | H159 E163 | H159-H161 PolarHBondContact O-N 2.76Å; H159-H161 VanDerWaalsContact O-N 3.12Å; H161-E163 IonicContact CE1-OE1 2.67Å; H161-E163 PolarHBondContact CE1-OE1 3.28Å; H161-E163 IonicContact ND1-OE1 3.79Å; H161-E163 PolarHBondContact ND1-OE1 3.26Å; H161-E163 PolarHBondContact O-N 2.72Å | ||
| 162 | T | 53.9 | Low | 73.5 | Confident | 125 Ų | 125 | 109.3 Ų | 109.3 | 77% | 0.767 | 53% | 0.532 | S | S | * | . | trans | -69.6 | 81.7 | 168.2 | -5.5 | 0 | 0 | 0 | 0 | 103.4 | P160 H164 | P160-T162 PolarHBondContact O-N 2.69Å; P160-T162 PolarHBondContact O-OG1 3.35Å; T162-H164 PolarHBondContact O-N 2.77Å | ||
| 163 | E | 50.3 | Low | 72.6 | Confident | 135 Ų | 135 | 116.5 Ų | 116.5 | 63% | 0.631 | 57% | 0.569 | S | S | * | * | trans | -45.3 | 102.3 | 152.9 | -70.5 | -83.9 | 103.8 | 0 | 0 | 103.8 | H161 V165 | H161-E163 IonicContact CE1-OE1 2.67Å; H161-E163 PolarHBondContact CE1-OE1 3.28Å; H161-E163 IonicContact ND1-OE1 3.79Å; H161-E163 PolarHBondContact ND1-OE1 3.26Å; H161-E163 PolarHBondContact O-N 2.72Å; E163-V165 PolarHBondContact O-N 2.82Å | ||
| 164 | H | 47.9 | Very low | 71 | Confident | 170 Ų | 170 | 124.2 Ų | 124.2 | 79% | 0.787 | 60% | 0.599 | S | S | * | * | trans | -67.4 | 81.5 | 172.9 | -161 | -102.5 | 0 | 0 | 0 | 104.1 | T162 Q166 | T162-H164 PolarHBondContact O-N 2.77Å; H164-Q166 PolarHBondContact O-N 3.15Å | ||
| 165 | V | 53.6 | Low | 69.9 | Low | 115 Ų | 115 | 135 Ų | 135 | 70% | 0.697 | 66% | 0.655 | S | S | * | * | trans | -58.5 | 101.1 | 169.4 | -179.8 | 0 | 0 | 0 | 0 | 102.6 | E163 Q167 | E163-V165 PolarHBondContact O-N 2.82Å; V165-Q167 PolarHBondContact O-N 2.91Å | ||
| 166 | Q | 51.6 | Low | 68.8 | Low | 157 Ų | 157 | 137.5 Ų | 137.5 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | trans | -64.7 | 83.7 | 170.9 | -174.9 | 159.5 | 89.7 | 0 | 0 | 104.6 | H164 T168 | H164-Q166 PolarHBondContact O-N 3.15Å; Q166-T168 PolarHBondContact O-N 2.8Å; Q166-T168 PolarHBondContact O-OG1 3.18Å | ||
| 167 | Q | 53.8 | Low | 67.5 | Low | 131 Ų | 131 | 144.6 Ų | 144.6 | 61% | 0.612 | 71% | 0.706 | S | S | * | * | trans | -69.3 | 95.9 | 177.1 | -170.2 | 161.6 | 8.8 | 0 | 0 | 104 | V165 F169 | V165-Q167 PolarHBondContact O-N 2.91Å; Q167-F169 VanDerWaalsContact C-N 3.26Å; Q167-F169 HydrophobicContact CB-CE2 4.01Å; Q167-F169 HydrophobicContact CB-CZ 4.16Å; Q167-F169 HydrophobicContact CG-CE1 4.21Å; Q167-F169 HydrophobicContact CG-CE2 4.22Å; Q167-F169 HydrophobicContact CG-CZ 3.96Å; Q167-F169 WeakPolarHBondContact O-CD2 3.42Å; Q167-F169 WeakPolarHBondContact O-CE2 3.31Å; Q167-F169 PolarHBondContact O-N 3.06Å | ||
| 168 | T | 64.6 | Low | 66.1 | Low | 127 Ų | 127 | 145.8 Ų | 145.8 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | trans | -65.6 | 93.1 | 178.8 | -15 | 0 | 0 | 0 | 0 | 106.4 | Q166 R170 | Q166-T168 PolarHBondContact O-N 2.8Å; Q166-T168 PolarHBondContact O-OG1 3.18Å; T168-R170 PolarHBondContact O-N 2.77Å | ||
| 169 | F | 74.9 | Confident | 64.6 | Low | 166 Ų | 166 | 148.9 Ų | 148.9 | 73% | 0.728 | 74% | 0.741 | S | S | * | * | trans | -69.3 | 100 | 173.5 | -67.3 | -80.8 | 0 | 0 | 0 | 107.5 | Q167 T171 | Q167-F169 VanDerWaalsContact C-N 3.26Å; Q167-F169 HydrophobicContact CB-CE2 4.01Å; Q167-F169 HydrophobicContact CB-CZ 4.16Å; Q167-F169 HydrophobicContact CG-CE1 4.21Å; Q167-F169 HydrophobicContact CG-CE2 4.22Å; Q167-F169 HydrophobicContact CG-CZ 3.96Å; Q167-F169 WeakPolarHBondContact O-CD2 3.42Å; Q167-F169 WeakPolarHBondContact O-CE2 3.31Å; Q167-F169 PolarHBondContact O-N 3.06Å; F169-T171 PolarHBondContact O-N 3.24Å | ||
| 170 | R | 80 | Confident | 63.6 | Low | 197 Ų | 197 | 152.6 Ų | 152.6 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -81.3 | 105 | 168.1 | -176.9 | -179.4 | 170.2 | 176.6 | -6.5 | 107.9 | T168 E172 | T168-R170 PolarHBondContact O-N 2.77Å; R170-E172 HydrophobicContact CG-CG 4.09Å; R170-E172 IonicContact CZ-OE1 3.78Å; R170-E172 IonicContact CZ-OE2 2.76Å; R170-E172 IonicContact NE-OE1 3.66Å; R170-E172 PolarHBondContact NE-OE1 2.95Å; R170-E172 IonicContact NE-OE2 2.88Å; R170-E172 IonicContact NH2-OE1 3.22Å; R170-E172 PolarHBondContact NH2-OE1 2.66Å; R170-E172 IonicContact NH2-OE2 3.48Å | ||
| 171 | T | 79.1 | Confident | 63.4 | Low | 124 Ų | 124 | 155.9 Ų | 155.9 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | -81.9 | 118.2 | 167 | 35.8 | 0 | 0 | 0 | 0 | 109.7 | F169 | F169-T171 PolarHBondContact O-N 3.24Š| ||
| 172 | E | 75.8 | Confident | 63.9 | Low | 148 Ų | 148 | 155.9 Ų | 155.9 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | -107.2 | 121.6 | 167.4 | -60.7 | -169.8 | 97.5 | 0 | 0 | 108.5 | R170 | R170-E172 HydrophobicContact CG-CG 4.09Å; R170-E172 IonicContact CZ-OE1 3.78Å; R170-E172 IonicContact CZ-OE2 2.76Å; R170-E172 IonicContact NE-OE1 3.66Å; R170-E172 PolarHBondContact NE-OE1 2.95Å; R170-E172 IonicContact NE-OE2 2.88Å; R170-E172 IonicContact NH2-OE1 3.22Å; R170-E172 PolarHBondContact NH2-OE1 2.66Å; R170-E172 IonicContact NH2-OE2 3.48Å | ||
| 173 | I | 75.4 | Confident | 64.7 | Low | 159 Ų | 159 | 158.2 Ų | 158.2 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | -114.1 | 119.9 | 174.5 | -56.3 | 172.1 | 0 | 0 | 0 | 106.6 | ||||
| 174 | K | 62.1 | Low | 65.9 | Low | 199 Ų | 199 | 160.2 Ų | 160.2 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | -108.5 | 128.5 | 178.1 | 178 | 171.3 | 157 | -178.3 | 0 | 109.3 | ||||
| 175 | I | 71.6 | Confident | 67.5 | Low | 229 Ų | 229 | 159.3 Ų | 159.3 | 100% | 1.174 | 78% | 0.782 | S | S | * | * | trans | -90.4 | 0 | 167.6 | 55.7 | 168.7 | 0 | 0 | 0 | 110.8 |
Retrieved 175 of 175 residues in 231.6 ms
(Link to these results)