| 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 | 41.6 | Very low | 40.5 | Very low | 232 Ų | 232 | 154.3 Ų | 154.3 | 100% | 1.143 | 81% | 0.805 | S | S | * | * | 0 | 95.6 | 0 | -69.6 | 179.3 | -177.8 | 0 | 0 | 106.2 | |||||
| 2 | Q | 39.5 | Very low | 40.6 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | 70.7 | 105.6 | 95.3 | -80.8 | -170.4 | -30.9 | 0 | 0 | 111.6 | |||||
| 3 | I | 39 | Very low | 40.4 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 67% | 0.672 | 79% | 0.794 | S | S | * | * | 108 | 103.3 | 91.5 | -78.2 | 166.2 | 0 | 0 | 0 | 105.9 | |||||
| 4 | L | 35.8 | Very low | 40.1 | Very low | 167 Ų | 167 | 155.5 Ų | 155.5 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | 64.2 | 138.8 | 80.3 | -76.3 | 178.2 | 0 | 0 | 0 | 115.9 | |||||
| 5 | A | 46.4 | Very low | 39.8 | Very low | 85 Ų | 85 | 151.9 Ų | 151.9 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | 116.5 | 110 | 153.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 6 | N | 38.2 | Very low | 39.5 | Very low | 164 Ų | 164 | 156.3 Ų | 156.3 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | 58.9 | 142.6 | 74.4 | -76.8 | -6.7 | 0 | 0 | 0 | 111.3 | |||||
| 7 | C | 40.6 | Very low | 39 | Very low | 104 Ų | 104 | 158.2 Ų | 158.2 | 70% | 0.703 | 80% | 0.798 | S | S | * | * | cis | -162.1 | 159.2 | -0.3 | -155.3 | 0 | 0 | 0 | 0 | 102 | ||||
| 8 | D | 42.5 | Very low | 38.8 | Very low | 127 Ų | 127 | 163.1 Ų | 163.1 | 68% | 0.679 | 81% | 0.806 | S | S | * | * | 154.3 | 178.7 | 72.3 | -142.5 | -49.7 | 0 | 0 | 0 | 107 | |||||
| 9 | D | 41.5 | Very low | 38.8 | Very low | 133 Ų | 133 | 165.3 Ų | 165.3 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | 100.7 | 81.5 | 162.7 | -77 | -39.9 | 0 | 0 | 0 | 120 | ||||
| 10 | R | 40.3 | Very low | 38.6 | Very low | 214 Ų | 214 | 168.2 Ų | 168.2 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | 55.2 | 148.9 | 106.1 | -74.1 | -168.3 | 171.8 | -122.5 | 0.6 | 121.2 | |||||
| 11 | L | 40.7 | Very low | 38.5 | Very low | 172 Ų | 172 | 165 Ų | 165 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | trans | 92.3 | 119.9 | 171.7 | -48.6 | 174.9 | 0 | 0 | 0 | 111.7 | ||||
| 12 | S | 41.2 | Very low | 38.2 | Very low | 96 Ų | 96 | 160.2 Ų | 160.2 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | cis | -170.5 | 154.7 | 20.2 | 64.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 13 | L | 37.6 | Very low | 38.5 | Very low | 153 Ų | 153 | 159.2 Ų | 159.2 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | trans | 73.4 | 124.4 | 145.3 | -68.9 | 159.9 | 0 | 0 | 0 | 121.3 | ||||
| 14 | R | 36 | Very low | 38.8 | Very low | 231 Ų | 231 | 160.3 Ų | 160.3 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | 88 | 61.9 | 155.6 | -62.4 | 178.8 | -174.9 | -116.9 | 1.9 | 118 | ||||
| 15 | S | 36.7 | Very low | 39 | Very low | 102 Ų | 102 | 163.9 Ų | 163.9 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | 14.4 | 117.2 | 115.7 | -151.5 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 16 | R | 34 | Very low | 38.9 | Very low | 221 Ų | 221 | 164.6 Ų | 164.6 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | 89 | 85.2 | 124.8 | -160.7 | 174.8 | -78.1 | -169.9 | -5.1 | 118.1 | |||||
| 17 | K | 32.3 | Very low | 39.5 | Very low | 190 Ų | 190 | 165.3 Ų | 165.3 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | 57 | 82.6 | 116.1 | -148.8 | 158.6 | -169.8 | 172.4 | 0 | 115.3 | R19 | K17-R19 PolarHBondContact O-N 3.17Å; K17-R19 VanDerWaalsContact O-N 3.08Å | |||
| 18 | R | 34.6 | Very low | 39.7 | Very low | 246 Ų | 246 | 163.9 Ų | 163.9 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | trans | -71.1 | 96.3 | 159.6 | -64.7 | -144.1 | -154.3 | -166.3 | 10.7 | 108.6 | W20 | R18-W20 PolarHBondContact O-N 3.34Š| ||
| 19 | R | 38.8 | Very low | 39.7 | Very low | 205 Ų | 205 | 169.9 Ų | 169.9 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | trans | -78.2 | 112.1 | 172.1 | -165.6 | 165.1 | 70.6 | -155.3 | 3.9 | 106.9 | K17 | K17-R19 PolarHBondContact O-N 3.17Å; K17-R19 VanDerWaalsContact O-N 3.08Å | ||
| 20 | W | 34.1 | Very low | 39.4 | Very low | 223 Ų | 223 | 174.9 Ų | 174.9 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -55.5 | 150.9 | 161.9 | -70.7 | -9.5 | 0 | 0 | 0 | 109.7 | R18 | R18-W20 PolarHBondContact O-N 3.34Š| ||
| 21 | S | 36.3 | Very low | 39.5 | Very low | 102 Ų | 102 | 172.8 Ų | 172.8 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | trans | 90.3 | 136.2 | -168.7 | -55.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 22 | D | 35.3 | Very low | 39.4 | Very low | 130 Ų | 130 | 173.2 Ų | 173.2 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | trans | 86 | 70 | 175.1 | -41.4 | -33.2 | 0 | 0 | 0 | 114.4 | ||||
| 23 | D | 47 | Very low | 39.2 | Very low | 148 Ų | 148 | 175.3 Ų | 175.3 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -159.7 | 87.2 | 139.2 | -90.3 | -36.5 | 0 | 0 | 0 | 111.7 | ||||
| 24 | L | 44.7 | Very low | 39.6 | Very low | 153 Ų | 153 | 176.2 Ų | 176.2 | 80% | 0.801 | 81% | 0.814 | S | S | * | * | 55 | 75.9 | 125.3 | -54.8 | 173.2 | 0 | 0 | 0 | 117.9 | |||||
| 25 | W | 40 | Very low | 39.7 | Very low | 243 Ų | 243 | 172.5 Ų | 172.5 | 92% | 0.92 | 81% | 0.811 | S | S | * | * | trans | -71 | 136.2 | 131.7 | -82.5 | 62.2 | 0 | 0 | 0 | 107 | ||||
| 26 | P | 44.5 | Very low | 40.2 | Very low | 100 Ų | 100 | 178.9 Ų | 178.9 | 65% | 0.649 | 82% | 0.819 | S | S | * | * | cis | -135.2 | 135.1 | 21.7 | 34 | -13.5 | 0 | 0 | 0 | 114.8 | A28 | P26-A28 PolarHBondContact O-N 3.41Š| ||
| 27 | I | 50 | Low | 40.6 | Very low | 179 Ų | 179 | 172.7 Ų | 172.7 | 92% | 0.918 | 82% | 0.816 | S | S | * | * | trans | -67.9 | 90.5 | 150.5 | -64.3 | 174.3 | 0 | 0 | 0 | 105.9 | ||||
| 28 | A | 46.4 | Very low | 41.4 | Very low | 73 Ų | 73 | 168.5 Ų | 168.5 | 60% | 0.603 | 81% | 0.81 | S | S | * | * | trans | -60.5 | 136.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | P26 R30 | P26-A28 PolarHBondContact O-N 3.41Å; A28-R30 PolarHBondContact O-N 2.94Å | ||
| 29 | R | 42 | Very low | 42.2 | Very low | 254 Ų | 254 | 166 Ų | 166 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | trans | -36.8 | 123.6 | 163.5 | -65.2 | 170.9 | 175.2 | 158.7 | -2.8 | 110.4 | ||||
| 30 | R | 35.9 | Very low | 42.6 | Very low | 238 Ų | 238 | 161.3 Ų | 161.3 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -127 | 78.7 | 167 | -173.8 | 178.3 | -172.6 | 146.3 | 2.7 | 109.6 | A28 | A28-R30 PolarHBondContact O-N 2.94Š| ||
| 31 | I | 41.3 | Very low | 43.1 | Very low | 169 Ų | 169 | 156.6 Ų | 156.6 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -151.1 | 80.5 | 153.7 | -49.5 | 177.9 | 0 | 0 | 0 | 107.6 | ||||
| 32 | E | 38.9 | Very low | 43.9 | Very low | 182 Ų | 182 | 157.5 Ų | 157.5 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -136.9 | 126.5 | 157.3 | -71.6 | -172.8 | -178.9 | 0 | 0 | 108.2 | ||||
| 33 | N | 36.7 | Very low | 44.5 | Very low | 139 Ų | 139 | 157.7 Ų | 157.7 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | 77.2 | 85.2 | 163.4 | -56.6 | -12.5 | 0 | 0 | 0 | 119.3 | ||||
| 34 | I | 45.7 | Very low | 44.5 | Very low | 173 Ų | 173 | 156.4 Ų | 156.4 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -90.6 | 84.5 | 149.3 | -60.5 | 173.9 | 0 | 0 | 0 | 107 | ||||
| 35 | D | 38.6 | Very low | 45 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | -119.4 | 82.8 | 162.6 | -91.9 | -37.1 | 0 | 0 | 0 | 108 | ||||
| 36 | R | 47.6 | Very low | 45.6 | Very low | 236 Ų | 236 | 150.8 Ų | 150.8 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -157 | 79.9 | 154.4 | -155.2 | 172.1 | 175.4 | 106.9 | -2.4 | 109.5 | S38 | R36-S38 PolarHBondContact O-N 3.01Š| ||
| 37 | A | 41.5 | Very low | 45.6 | Very low | 92 Ų | 92 | 152.5 Ų | 152.5 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | trans | -52.3 | 128.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 38 | S | 49.2 | Very low | 45.2 | Very low | 101 Ų | 101 | 147 Ų | 147 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | 175.4 | 126.8 | 138.5 | -70.4 | 0 | 0 | 0 | 0 | 111 | R36 | R36-S38 PolarHBondContact O-N 3.01Š| ||
| 39 | F | 51.3 | Low | 45.3 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 90.2 | 107.2 | 157.7 | -59.6 | -69.9 | 0 | 0 | 0 | 121.2 | ||
| 40 | S | 47.2 | Very low | 45.3 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | 85.1 | 120.9 | 144.5 | 14.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 41 | P | 46.2 | Very low | 45.9 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 146.5 | 178.2 | 36.6 | -30.6 | 0 | 0 | 0 | 111.6 | ||
| 42 | P | 52.5 | Low | 45.8 | Very low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 137.8 | 155 | 27.3 | -14.1 | 0 | 0 | 0 | 111.3 | ||
| 43 | T | 47.7 | Very low | 46.2 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 139.9 | 173.6 | 36.9 | 0 | 0 | 0 | 0 | 117 | ||
| 44 | S | 47.5 | Very low | 46.8 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | 32.6 | 101.7 | 145 | -54.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 45 | A | 55.2 | Low | 47.2 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | 175.4 | 124.1 | 128.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 46 | E | 51 | Low | 48.3 | Very low | 184 Ų | 184 | 117.6 Ų | 117.6 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | 57.6 | 123.5 | 155.8 | -58.3 | -156.9 | 97.9 | 0 | 0 | 121.7 | G48 | E46-G48 VanDerWaalsContact C-N 3.32Å; E46-G48 PolarHBondContact O-N 2.83Å | ||
| 47 | P | 44.8 | Very low | 49.6 | Very low | 135 Ų | 135 | 111.1 Ų | 111.1 | 88% | 0.877 | 72% | 0.723 | S | S | * | * | trans | -79.6 | 82.6 | 163.9 | 33.4 | -28.8 | 0 | 0 | 0 | 109.4 | A49 | P47-A49 PolarHBondContact O-N 3.39Š| ||
| 48 | G | 41.7 | Very low | 51.9 | Low | 65 Ų | 65 | 108.4 Ų | 108.4 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | trans | -67.1 | 110.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | E46 T50 | E46-G48 VanDerWaalsContact C-N 3.32Å; E46-G48 PolarHBondContact O-N 2.83Å; G48-T50 PolarHBondContact O-N 3.03Å | ||
| 49 | A | 49.7 | Very low | 54 | Low | 84 Ų | 84 | 106.4 Ų | 106.4 | 69% | 0.694 | 69% | 0.685 | S | S | * | * | trans | -50.5 | 114.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | P47 H51 | P47-A49 PolarHBondContact O-N 3.39Å; A49-H51 PolarHBondContact O-N 3.28Å | ||
| 50 | T | 41.8 | Very low | 56.2 | Low | 129 Ų | 129 | 100.8 Ų | 100.8 | 79% | 0.791 | 67% | 0.666 | S | S | * | * | trans | -63.6 | 107.7 | 172.2 | 42.1 | 0 | 0 | 0 | 0 | 107.7 | G48 S52 | G48-T50 PolarHBondContact O-N 3.03Å; T50-S52 PolarHBondContact O-N 2.92Å | ||
| 51 | H | 47.2 | Very low | 58.5 | Low | 192 Ų | 192 | 98.4 Ų | 98.4 | 89% | 0.889 | 64% | 0.644 | S | S | * | * | trans | -67 | 75.5 | 161.4 | -75.4 | -90.5 | 0 | 0 | 0 | 107.7 | A49 A53 | A49-H51 PolarHBondContact O-N 3.28Å; H51-A53 PolarHBondContact O-N 3.34Å | ||
| 52 | S | 40.9 | Very low | 60.8 | Low | 97 Ų | 97 | 96.6 Ų | 96.6 | 68% | 0.678 | 63% | 0.628 | S | S | * | * | trans | -72.3 | 89.4 | -178 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | T50 S54 | T50-S52 PolarHBondContact O-N 2.92Å; S52-S54 VanDerWaalsContact C-N 3.29Å; S52-S54 PolarHBondContact O-N 3.24Å | ||
| 53 | A | 47.2 | Very low | 62.7 | Low | 89 Ų | 89 | 95 Ų | 95 | 74% | 0.736 | 61% | 0.612 | S | S | * | * | trans | 30.9 | 49.7 | 143.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | H51 T55 | H51-A53 PolarHBondContact O-N 3.34Å; A53-T55 PolarHBondContact O-N 2.61Å | ||
| 54 | S | 49.3 | Very low | 64.7 | Low | 56 Ų | 56 | 95.9 Ų | 95.9 | 39% | 0.392 | 61% | 0.612 | S | S | . | * | trans | -77.3 | -0.8 | 178.7 | 68.9 | 0 | 0 | 0 | 0 | 113.2 | S52 G56 V57 | S52-S54 VanDerWaalsContact C-N 3.29Å; S52-S54 PolarHBondContact O-N 3.24Å; S54-G56 VanDerWaalsContact C-N 3.31Å; S54-G56 PolarHBondContact O-N 3.31Å; S54-V57 PolarHBondContact O-N 2.99Å | ||
| 55 | T | 52.5 | Low | 66.8 | Low | 72 Ų | 72 | 98.6 Ų | 98.6 | 44% | 0.442 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.7 | 82.8 | 179.7 | -23.9 | 0 | 0 | 0 | 0 | 111.1 | A53 H75 F76 | A53-T55 PolarHBondContact O-N 2.61Å; T55-H75 HydrophobicContact CG2-CB 4.45Å; T55-H75 PolarHBondContact OG1-CD2 2.83Å; T55-F76 HydrophobicContact CG2-CE2 4.34Å |
| 56 | G | 61.5 | Low | 68.6 | Low | 43 Ų | 43 | 97.4 Ų | 97.4 | 44% | 0.443 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 158.9 | -9.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S54 S58 R112 | S54-G56 VanDerWaalsContact C-N 3.31Å; S54-G56 PolarHBondContact O-N 3.31Å; G56-S58 PolarHBondContact O-N 2.84Å; G56-R112 PolarHBondContact O-NH1 2.62Å |
| 57 | V | 76.2 | Confident | 70.8 | Confident | 99 Ų | 99 | 88.8 Ų | 88.8 | 60% | 0.6 | 55% | 0.546 | S | S | * | . | trans | -64.6 | 121.6 | 178.4 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | S54 D72 | S54-V57 PolarHBondContact O-N 2.99Å; V57-D72 PolarHBondContact O-N 2.88Å | ||
| 58 | S | 89 | Confident | 73.3 | Confident | 36 Ų | 36 | 83.7 Ų | 83.7 | 25% | 0.252 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 143.8 | 167.2 | 71.8 | 0 | 0 | 0 | 0 | 110.5 | G56 T70 L71 R112 Y114 | G56-S58 PolarHBondContact O-N 2.84Å; S58-T70 CarbonylContact C-O 3.56Å; S58-T70 WeakPolarHBondContact CA-O 3.1Å; S58-T70 WeakPolarHBondContact CB-O 3.06Å; S58-L71 VanDerWaalsContact CB-CD2 3.43Å; S58-R112 VanDerWaalsContact CB-CZ 3.46Å; S58-R112 PolarHBondContact OG-NH2 2.66Å; S58-Y114 WeakPolarHBondContact CB-OH 3.26Å; S58-Y114 PolarHBondContact OG-OH 2.95Å |
| 59 | S | 94.5 | Very high | 76 | Confident | 59 Ų | 59 | 80.6 Ų | 80.6 | 41% | 0.413 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 148.1 | 166.4 | 67.9 | 0 | 0 | 0 | 0 | 110.4 | V69 T70 | S59-V69 WeakPolarHBondContact O-CA 3.41Å; S59-T70 PolarHBondContact N-O 3.04Å; S59-T70 PolarHBondContact O-N 3.44Å; S59-T70 VanDerWaalsContact OG-CB 3.3Å; S59-T70 WeakPolarHBondContact OG-CB 3.29Å; S59-T70 PolarHBondContact OG-OG1 3.12Å |
| 60 | V | 96.4 | Very high | 78.2 | Confident | 74 Ų | 74 | 77.6 Ų | 77.6 | 45% | 0.448 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 128.8 | 176.2 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | F67 Q68 V69 Y114 | V60-F67 HydrophobicContact CG1-CD2 4.46Å; V60-F67 HydrophobicContact CG1-CE2 3.74Å; V60-F67 HydrophobicContact CG1-CZ 4.34Å; V60-Q68 CarbonylContact C-O 3.56Å; V60-Q68 WeakPolarHBondContact CA-O 3.3Å; V60-V69 HydrophobicContact CG2-CG2 4.35Å; V60-Y114 HydrophobicContact CG2-CD1 3.87Å; V60-Y114 HydrophobicContact CG2-CE1 3.5Å |
| 61 | I | 96.1 | Very high | 80.7 | Confident | 58 Ų | 58 | 71.7 Ų | 71.7 | 30% | 0.297 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.5 | 173.2 | -60.1 | 170.8 | 0 | 0 | 0 | 107.1 | D63 F67 Q68 | I61-D63 VanDerWaalsContact CG2-OD2 3.26Å; I61-D63 WeakPolarHBondContact CG2-OD2 3.3Å; I61-F67 CarbonylContact O-C 3.54Å; I61-F67 WeakPolarHBondContact O-CA 3.45Å; I61-Q68 HydrophobicContact CB-CB 4.24Å; I61-Q68 PolarHBondContact N-O 2.66Å; I61-Q68 PolarHBondContact O-N 2.71Å |
| 62 | N | 94.7 | Very high | 82.9 | Confident | 86 Ų | 86 | 64.1 Ų | 64.1 | 46% | 0.46 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 72.8 | -175.6 | -177.8 | 30.5 | 0 | 0 | 0 | 110.3 | F67 P117 K141 | N62-F67 HydrophobicContact CB-CD2 4.33Å; N62-P117 WeakPolarHBondContact OD1-CG 3.37Å; N62-K141 WeakPolarHBondContact OD1-CE 3.36Å; N62-K141 PolarHBondContact OD1-NZ 3.35Å |
| 63 | D | 91.4 | Very high | 85.3 | Confident | 88 Ų | 88 | 59.7 Ų | 59.7 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | trans | -96 | 172.7 | -178 | -55 | -31.5 | 0 | 0 | 0 | 110.4 | I61 K65 K66 K141 | I61-D63 VanDerWaalsContact CG2-OD2 3.26Å; I61-D63 WeakPolarHBondContact CG2-OD2 3.3Å; D63-K65 PolarHBondContact O-N 3.37Å; D63-K66 PolarHBondContact N-O 2.84Å; D63-K66 PolarHBondContact O-N 2.7Å; D63-K66 VanDerWaalsContact O-O 3.11Å; D63-K141 VanDerWaalsContact O-CD 3.28Å; D63-K141 WeakPolarHBondContact O-CD 3.4Å; D63-K141 WeakPolarHBondContact O-CE 2.91Å; D63-K141 PolarHBondContact O-NZ 2.86Å | ||
| 64 | D | 89.8 | Confident | 87.3 | Confident | 152 Ų | 152 | 59.2 Ų | 59.2 | 81% | 0.813 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -58.5 | -22.5 | -179.9 | -63.1 | -29.6 | 0 | 0 | 0 | 114.2 | ||
| 65 | K | 91.5 | Very high | 89 | Confident | 178 Ų | 178 | 60.2 Ų | 60.2 | 77% | 0.774 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -98.5 | -32.3 | -175.3 | -60.6 | -179.2 | -177.2 | 177.8 | 0 | 113.7 | D63 K141 | D63-K65 PolarHBondContact O-N 3.37Å; K65-K141 PolarHBondContact O-N 3.01Å |
| 66 | K | 94.1 | Very high | 90.5 | Very high | 69 Ų | 69 | 58 Ų | 58 | 30% | 0.3 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 155.7 | -169.9 | 67.6 | 171.1 | -177.7 | 167.6 | 0 | 113.2 | D63 A139 | D63-K66 PolarHBondContact N-O 2.84Å; D63-K66 PolarHBondContact O-N 2.7Å; D63-K66 VanDerWaalsContact O-O 3.11Å; K66-A139 CarbonylContact C-O 3.44Å; K66-A139 VanDerWaalsContact CA-O 3.3Å; K66-A139 WeakPolarHBondContact CA-O 3.02Å |
| 67 | F | 96.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132 | 164.7 | 175.3 | -104.1 | 0 | 0 | 0 | 108.1 | V60 I61 N62 V69 L90 L116 P117 I120 E138 A139 | V60-F67 HydrophobicContact CG1-CD2 4.46Å; V60-F67 HydrophobicContact CG1-CE2 3.74Å; V60-F67 HydrophobicContact CG1-CZ 4.34Å; I61-F67 CarbonylContact O-C 3.54Å; I61-F67 WeakPolarHBondContact O-CA 3.45Å; N62-F67 HydrophobicContact CB-CD2 4.33Å; F67-V69 HydrophobicContact CE1-CG2 3.69Å; F67-V69 HydrophobicContact CE2-CG2 4.42Å; F67-V69 HydrophobicContact CZ-CG2 3.55Å; F67-L90 HydrophobicContact CE1-CD2 4.08Å; F67-L116 HydrophobicContact CD1-CD2 3.98Å; F67-L116 HydrophobicContact CE1-CD2 3.64Å; F67-L116 HydrophobicContact CZ-CD2 4.27Å; F67-P117 HydrophobicContact CB-CG 4.37Å; F67-P117 HydrophobicContact CD2-CG 3.54Å; F67-P117 HydrophobicContact CE2-CG 4.08Å; F67-P117 HydrophobicContact CG-CG 4.14Å; F67-I120 HydrophobicContact CB-CD1 3.64Å; F67-I120 HydrophobicContact CB-CG1 4.33Å; F67-I120 HydrophobicContact CD1-CD1 3.98Å; F67-I120 HydrophobicContact CG-CD1 3.81Å; F67-E138 CarbonylContact O-C 3.53Å; F67-E138 VanDerWaalsContact O-CA 3.22Å; F67-E138 WeakPolarHBondContact O-CA 2.94Å; F67-A139 PolarHBondContact N-O 2.76Å; F67-A139 PolarHBondContact O-N 3.49Å |
| 68 | Q | 97.7 | Very high | 90.9 | Very high | 28 Ų | 28 | 64 Ų | 64 | 13% | 0.131 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 135.8 | 179.8 | 174.5 | -175 | -27.9 | 0 | 0 | 110.4 | V60 I61 T136 I137 E138 | V60-Q68 CarbonylContact C-O 3.56Å; V60-Q68 WeakPolarHBondContact CA-O 3.3Å; I61-Q68 HydrophobicContact CB-CB 4.24Å; I61-Q68 PolarHBondContact N-O 2.66Å; I61-Q68 PolarHBondContact O-N 2.71Å; Q68-T136 HydrophobicContact CG-CG2 3.8Å; Q68-I137 CarbonylContact C-O 3.58Å; Q68-I137 VanDerWaalsContact CA-O 3.28Å; Q68-I137 WeakPolarHBondContact CA-O 3.35Å; Q68-E138 HydrophobicContact CB-CB 3.9Å; Q68-E138 HydrophobicContact CG-CB 4.02Å |
| 69 | V | 97.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 134.6 | 172.6 | 176.3 | 0 | 0 | 0 | 0 | 108.1 | S59 V60 F67 L71 L90 I92 Y114 T136 I137 | S59-V69 WeakPolarHBondContact O-CA 3.41Å; V60-V69 HydrophobicContact CG2-CG2 4.35Å; F67-V69 HydrophobicContact CE1-CG2 3.69Å; F67-V69 HydrophobicContact CE2-CG2 4.42Å; F67-V69 HydrophobicContact CZ-CG2 3.55Å; V69-L71 HydrophobicContact CG1-CD2 4.31Å; V69-L71 HydrophobicContact CG1-CG 4.12Å; V69-L90 HydrophobicContact CG2-CD2 4.13Å; V69-I92 HydrophobicContact CG1-CD1 4.41Å; V69-Y114 HydrophobicContact CG1-CD2 4.06Å; V69-Y114 HydrophobicContact CG1-CE1 4.11Å; V69-Y114 HydrophobicContact CG1-CE2 3.51Å; V69-Y114 HydrophobicContact CG2-CD1 4.14Å; V69-Y114 HydrophobicContact CG2-CD2 4.15Å; V69-Y114 HydrophobicContact CG2-CE1 4.38Å; V69-Y114 HydrophobicContact CG2-CE2 4.39Å; V69-Y114 HydrophobicContact CG2-CG 4.01Å; V69-T136 CarbonylContact O-C 3.51Å; V69-T136 WeakPolarHBondContact O-CA 3.05Å; V69-I137 PolarHBondContact N-O 2.8Å; V69-I137 PolarHBondContact O-N 2.82Å |
| 70 | T | 96.4 | Very high | 89.2 | Confident | 21 Ų | 21 | 72 Ų | 72 | 13% | 0.129 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.9 | 171.2 | -42.8 | 0 | 0 | 0 | 0 | 109.1 | S58 S59 L134 L135 | S58-T70 CarbonylContact C-O 3.56Å; S58-T70 WeakPolarHBondContact CA-O 3.1Å; S58-T70 WeakPolarHBondContact CB-O 3.06Å; S59-T70 PolarHBondContact N-O 3.04Å; S59-T70 PolarHBondContact O-N 3.44Å; S59-T70 VanDerWaalsContact OG-CB 3.3Å; S59-T70 WeakPolarHBondContact OG-CB 3.29Å; S59-T70 PolarHBondContact OG-OG1 3.12Å; T70-L134 HydrophobicContact CG2-CB 4.12Å; T70-L135 CarbonylContact C-O 3.51Å; T70-L135 WeakPolarHBondContact CA-O 3.28Å |
| 71 | L | 94.3 | Very high | 88.9 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.5 | -178.8 | -65.5 | 178.4 | 0 | 0 | 0 | 110.8 | S58 V69 V73 I92 F110 Y114 L134 L135 | S58-L71 VanDerWaalsContact CB-CD2 3.43Å; V69-L71 HydrophobicContact CG1-CD2 4.31Å; V69-L71 HydrophobicContact CG1-CG 4.12Å; L71-V73 HydrophobicContact CB-CG1 4.14Å; L71-V73 PolarHBondContact O-N 3.24Å; L71-I92 HydrophobicContact CD1-CB 4.33Å; L71-I92 HydrophobicContact CD1-CD1 3.49Å; L71-I92 VanDerWaalsContact CD1-CD1 3.49Å; L71-I92 HydrophobicContact CD1-CG1 4.5Å; L71-I92 HydrophobicContact CD1-CG2 3.98Å; L71-I92 HydrophobicContact CG-CD1 4.49Å; L71-F110 HydrophobicContact CD1-CE2 4.44Å; L71-Y114 HydrophobicContact CD2-CE2 4.43Å; L71-Y114 VanDerWaalsContact CD2-OH 3.25Å; L71-Y114 WeakPolarHBondContact CD2-OH 3.04Å; L71-L134 CarbonylContact O-C 3.53Å; L71-L134 WeakPolarHBondContact O-CA 3.37Å; L71-L135 HydrophobicContact CB-CB 4.36Å; L71-L135 PolarHBondContact N-O 2.88Å; L71-L135 PolarHBondContact O-N 2.87Å |
| 72 | D | 92.6 | Very high | 88.8 | Confident | 32 Ų | 32 | 73.1 Ų | 73.1 | 17% | 0.171 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 116 | 164.2 | -176.2 | -0.2 | 0 | 0 | 0 | 110 | V57 T74 L134 | V57-D72 PolarHBondContact O-N 2.88Å; D72-T74 VanDerWaalsContact OD1-CB 3.26Å; D72-T74 WeakPolarHBondContact OD1-CB 3.4Å; D72-T74 PolarHBondContact OD1-N 3.4Å; D72-T74 PolarHBondContact OD1-OG1 3.03Å; D72-L134 HydrophobicContact CB-CD2 4.03Å |
| 73 | V | 91.5 | Very high | 88.8 | Confident | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.03 | 34% | 0.339 | C | S | . | . | trans | -123.4 | 24.5 | 178.2 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | L71 H75 F76 F81 F110 L129 G133 L135 | L71-V73 HydrophobicContact CB-CG1 4.14Å; L71-V73 PolarHBondContact O-N 3.24Å; V73-H75 PolarHBondContact O-N 2.66Å; V73-H75 VanDerWaalsContact O-N 3.1Å; V73-F76 HydrophobicContact CB-CB 4.4Å; V73-F76 HydrophobicContact CB-CD2 4.15Å; V73-F76 WeakPolarHBondContact O-CB 3.41Å; V73-F76 PolarHBondContact O-N 2.91Å; V73-F81 HydrophobicContact CB-CE1 3.84Å; V73-F81 HydrophobicContact CB-CZ 3.67Å; V73-F81 HydrophobicContact CG1-CE1 3.87Å; V73-F81 HydrophobicContact CG1-CZ 4.16Å; V73-F81 HydrophobicContact CG2-CE1 4.19Å; V73-F81 HydrophobicContact CG2-CE2 4.23Å; V73-F81 HydrophobicContact CG2-CZ 3.62Å; V73-F110 HydrophobicContact CG1-CE1 4.27Å; V73-F110 HydrophobicContact CG1-CZ 4Å; V73-L129 HydrophobicContact CG2-CD1 3.61Å; V73-G133 CarbonylContact C-O 3.5Å; V73-G133 WeakPolarHBondContact CG2-O 3.35Å; V73-G133 PolarHBondContact N-O 3.04Å; V73-L135 HydrophobicContact CG1-CB 4.24Å; V73-L135 HydrophobicContact CG2-CB 3.89Å | ||
| 74 | T | 89.3 | Confident | 89 | Confident | 78 Ų | 78 | 70 Ų | 70 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -32.1 | -176.3 | -57.1 | 0 | 0 | 0 | 0 | 113.5 | D72 F76 N132 G133 | D72-T74 VanDerWaalsContact OD1-CB 3.26Å; D72-T74 WeakPolarHBondContact OD1-CB 3.4Å; D72-T74 PolarHBondContact OD1-N 3.4Å; D72-T74 PolarHBondContact OD1-OG1 3.03Å; T74-F76 VanDerWaalsContact C-N 3.28Å; T74-F76 PolarHBondContact O-N 2.72Å; T74-N132 PolarHBondContact OG1-O 3.43Å; T74-G133 PolarHBondContact N-O 2.85Å |
| 75 | H | 85.1 | Confident | 89.3 | Confident | 78 Ų | 78 | 66.1 Ų | 66.1 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 6 | 179.1 | -59.5 | -60.7 | 0 | 0 | 0 | 114.4 | T55 V73 | T55-H75 HydrophobicContact CG2-CB 4.45Å; T55-H75 PolarHBondContact OG1-CD2 2.83Å; V73-H75 PolarHBondContact O-N 2.66Å; V73-H75 VanDerWaalsContact O-N 3.1Å |
| 76 | F | 84.9 | Confident | 89.4 | Confident | 26 Ų | 26 | 64.2 Ų | 64.2 | 11% | 0.114 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -113.4 | 146.1 | 178.3 | -63 | -90.1 | 0 | 0 | 0 | 110.3 | T55 V73 T74 F81 H96 R108 F110 | T55-F76 HydrophobicContact CG2-CE2 4.34Å; V73-F76 HydrophobicContact CB-CB 4.4Å; V73-F76 HydrophobicContact CB-CD2 4.15Å; V73-F76 WeakPolarHBondContact O-CB 3.41Å; V73-F76 PolarHBondContact O-N 2.91Å; T74-F76 VanDerWaalsContact C-N 3.28Å; T74-F76 PolarHBondContact O-N 2.72Å; F76-F81 HydrophobicContact CB-CE1 3.74Å; F76-F81 HydrophobicContact CB-CZ 3.62Å; F76-F81 HydrophobicContact CG-CE1 4.2Å; F76-H96 HydrophobicContact CD1-CB 3.95Å; F76-H96 HydrophobicContact CE1-CB 4.32Å; F76-R108 HydrophobicContact CE1-CB 3.73Å; F76-R108 HydrophobicContact CZ-CB 4.1Å; F76-F110 HydrophobicContact CD1-CD1 4.11Å; F76-F110 HydrophobicContact CD1-CE1 4.08Å; F76-F110 HydrophobicContact CD2-CD1 4.33Å; F76-F110 HydrophobicContact CD2-CE1 4.04Å; F76-F110 AromaticContact CE1-CD1 3.55Å; F76-F110 HydrophobicContact CE1-CD1 3.55Å; F76-F110 HydrophobicContact CE1-CE1 4Å; F76-F110 AromaticContact CE2-CD1 3.79Å; F76-F110 HydrophobicContact CE2-CD1 3.79Å; F76-F110 AromaticContact CE2-CE1 3.94Å; F76-F110 HydrophobicContact CE2-CE1 3.94Å; F76-F110 HydrophobicContact CG-CD1 4.48Å; F76-F110 HydrophobicContact CG-CE1 4.13Å; F76-F110 AromaticContact CZ-CD1 3.39Å; F76-F110 HydrophobicContact CZ-CD1 3.39Å; F76-F110 AromaticContact CZ-CE1 3.94Å; F76-F110 HydrophobicContact CZ-CE1 3.94Å; F76-F110 HydrophobicContact CZ-CG 4.39Å |
| 77 | K | 76.2 | Confident | 89.3 | Confident | 104 Ų | 104 | 66 Ų | 66 | 45% | 0.452 | 32% | 0.317 | S | S | . | . | trans | -72.9 | 140.7 | 174.1 | -72.6 | -178.3 | 175.8 | 175.1 | 0 | 108.7 | E79 K80 N99 | K77-E79 PolarHBondContact O-N 2.79Å; K77-K80 PolarHBondContact O-N 3.34Å; K77-N99 VanDerWaalsContact NZ-CG 3.35Å; K77-N99 PolarHBondContact NZ-ND2 3.15Å; K77-N99 PolarHBondContact NZ-OD1 2.94Å | ||
| 78 | R | 70.5 | Confident | 89.1 | Confident | 162 Ų | 162 | 71.8 Ų | 71.8 | 61% | 0.611 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.6 | -169.3 | -63 | -169.6 | 178.1 | 160.1 | -0.2 | 115.1 | F81 L129 P131 | R78-F81 WeakPolarHBondContact O-CD2 3.34Å; R78-F81 WeakPolarHBondContact O-CE2 3.24Å; R78-L129 HydrophobicContact CB-CD2 3.62Å; R78-L129 HydrophobicContact CG-CD2 3.69Å; R78-P131 PolarHBondContact NH2-O 2.83Å |
| 79 | E | 65.3 | Low | 89 | Confident | 191 Ų | 191 | 75.7 Ų | 75.7 | 89% | 0.893 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 14.1 | -169.6 | -64.1 | 177.8 | 173.1 | 0 | 0 | 114.6 | K77 | K77-E79 PolarHBondContact O-N 2.79Š|
| 80 | K | 81.8 | Confident | 89 | Confident | 72 Ų | 72 | 75.7 Ų | 75.7 | 31% | 0.313 | 36% | 0.361 | S | S | . | . | trans | -126.8 | 47.6 | -171.3 | -58.1 | -168.5 | 175.8 | -170.7 | 0 | 114.1 | K77 G94 K95 E97 | K77-K80 PolarHBondContact O-N 3.34Å; K80-G94 WeakPolarHBondContact O-CA 3.44Å; K80-K95 WeakPolarHBondContact CB-O 3.23Å; K80-K95 WeakPolarHBondContact CD-O 3.32Å; K80-K95 PolarHBondContact O-N 3.5Å; K80-E97 VanDerWaalsContact NZ-CG 3.25Å | ||
| 81 | F | 89.9 | Confident | 89 | Confident | 48 Ų | 48 | 77.6 Ų | 77.6 | 21% | 0.211 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139.8 | 174.9 | -49.7 | -74.9 | 0 | 0 | 0 | 111.5 | V73 F76 R78 E93 F110 L129 | V73-F81 HydrophobicContact CB-CE1 3.84Å; V73-F81 HydrophobicContact CB-CZ 3.67Å; V73-F81 HydrophobicContact CG1-CE1 3.87Å; V73-F81 HydrophobicContact CG1-CZ 4.16Å; V73-F81 HydrophobicContact CG2-CE1 4.19Å; V73-F81 HydrophobicContact CG2-CE2 4.23Å; V73-F81 HydrophobicContact CG2-CZ 3.62Å; F76-F81 HydrophobicContact CB-CE1 3.74Å; F76-F81 HydrophobicContact CB-CZ 3.62Å; F76-F81 HydrophobicContact CG-CE1 4.2Å; R78-F81 WeakPolarHBondContact O-CD2 3.34Å; R78-F81 WeakPolarHBondContact O-CE2 3.24Å; F81-E93 CarbonylContact C-O 3.53Å; F81-E93 VanDerWaalsContact CA-O 3.24Å; F81-E93 WeakPolarHBondContact CA-O 3.37Å; F81-F110 HydrophobicContact CD1-CE1 4.1Å; F81-F110 AromaticContact CD1-CZ 3.93Å; F81-F110 HydrophobicContact CD1-CZ 3.93Å; F81-F110 AromaticContact CE1-CE1 3.86Å; F81-F110 HydrophobicContact CE1-CE1 3.86Å; F81-F110 HydrophobicContact CE1-CZ 4Å; F81-L129 HydrophobicContact CE2-CD2 4.01Å |
| 82 | E | 93.8 | Very high | 89 | Confident | 109 Ų | 109 | 77.3 Ų | 77.3 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.6 | 171.8 | -177.1 | 173.4 | 176.5 | 0 | 0 | 108.6 | T84 I92 E93 | E82-T84 HydrophobicContact CG-CG2 4.15Å; E82-I92 WeakPolarHBondContact O-CA 3.33Å; E82-E93 HydrophobicContact CB-CB 4.35Å; E82-E93 PolarHBondContact N-O 2.88Å; E82-E93 PolarHBondContact O-N 2.84Å |
| 83 | I | 95.2 | Very high | 89.1 | Confident | 61 Ų | 61 | 77.8 Ų | 77.8 | 31% | 0.313 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.9 | -177.6 | -58.1 | 164.4 | 0 | 0 | 0 | 107.4 | L90 M91 I92 I137 | I83-L90 HydrophobicContact CG2-CD1 3.59Å; I83-M91 WeakPolarHBondContact CA-O 3.22Å; I83-I92 HydrophobicContact CG1-CG2 4.34Å; I83-I92 HydrophobicContact CG2-CG1 4.49Å; I83-I137 HydrophobicContact CD1-CD1 3.69Å; I83-I137 HydrophobicContact CD1-CG1 3.9Å; I83-I137 HydrophobicContact CG1-CD1 4.03Å; I83-I137 HydrophobicContact CG2-CD1 4.05Å |
| 84 | T | 95.8 | Very high | 89.2 | Confident | 47 Ų | 47 | 77.6 Ų | 77.6 | 29% | 0.288 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 150.2 | -178.1 | 56.1 | 0 | 0 | 0 | 0 | 111 | E82 M91 | E82-T84 HydrophobicContact CG-CG2 4.15Å; T84-M91 PolarHBondContact N-O 2.8Å; T84-M91 PolarHBondContact O-N 3Å; T84-M91 WeakPolarHBondContact OG1-CE 3.28Å |
| 85 | T | 95.2 | Very high | 89.2 | Confident | 70 Ų | 70 | 78 Ų | 78 | 43% | 0.429 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 124 | 172.9 | 55.1 | 0 | 0 | 0 | 0 | 109.7 | R89 L90 L116 F125 | T85-R89 CarbonylContact C-O 3.52Å; T85-R89 WeakPolarHBondContact CA-O 3.46Å; T85-L90 HydrophobicContact CG2-CD1 3.91Å; T85-L116 HydrophobicContact CG2-CD1 4.28Å; T85-F125 HydrophobicContact CG2-CD2 4.19Å; T85-F125 HydrophobicContact CG2-CE1 4.39Å; T85-F125 HydrophobicContact CG2-CE2 3.85Å; T85-F125 HydrophobicContact CG2-CZ 3.97Å |
| 86 | K | 93 | Very high | 89.3 | Confident | 138 Ų | 138 | 75.1 Ų | 75.1 | 60% | 0.6 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 142.2 | -179.2 | -168.7 | -176 | 174.1 | -179.7 | 0 | 110.6 | D88 R89 | K86-D88 PolarHBondContact O-N 2.89Å; K86-R89 PolarHBondContact N-O 2.82Å; K86-R89 WeakPolarHBondContact O-CA 3.3Å; K86-R89 WeakPolarHBondContact O-CB 3.42Å; K86-R89 PolarHBondContact O-N 3.41Å |
| 87 | D | 92.4 | Very high | 89.4 | Confident | 108 Ų | 108 | 78.4 Ų | 78.4 | 58% | 0.578 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 49.7 | 172.5 | -53.8 | -34.9 | 0 | 0 | 0 | 113.6 | R89 | D87-R89 PolarHBondContact O-N 3.01Š|
| 88 | D | 93 | Very high | 90 | Very high | 125 Ų | 125 | 79.4 Ų | 79.4 | 67% | 0.668 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 30 | -175.8 | -58.9 | -38 | 0 | 0 | 0 | 114.5 | K86 L116 | K86-D88 PolarHBondContact O-N 2.89Å; D88-L116 WeakPolarHBondContact O-CB 3.22Å; D88-L116 PolarHBondContact O-N 3.19Å |
| 89 | R | 96.1 | Very high | 90.7 | Very high | 109 Ų | 109 | 73.7 Ų | 73.7 | 41% | 0.411 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 145.4 | 178 | -57.3 | 173.8 | -153.6 | -170.7 | 4.3 | 111.8 | T85 K86 D87 T113 Y114 W115 | T85-R89 CarbonylContact C-O 3.52Å; T85-R89 WeakPolarHBondContact CA-O 3.46Å; K86-R89 PolarHBondContact N-O 2.82Å; K86-R89 WeakPolarHBondContact O-CA 3.3Å; K86-R89 WeakPolarHBondContact O-CB 3.42Å; K86-R89 PolarHBondContact O-N 3.41Å; D87-R89 PolarHBondContact O-N 3.01Å; R89-T113 HydrophobicContact CB-CG2 3.76Å; R89-T113 HydrophobicContact CG-CG2 4.09Å; R89-Y114 CarbonylContact C-O 3.54Å; R89-Y114 VanDerWaalsContact CA-O 3.22Å; R89-Y114 WeakPolarHBondContact CA-O 3.33Å; R89-W115 HydrophobicContact CG-CD2 4.27Å; R89-W115 HydrophobicContact CG-CE3 3.64Å; R89-W115 HydrophobicContact CG-CH2 4.4Å; R89-W115 HydrophobicContact CG-CZ3 3.71Å; R89-W115 VanDerWaalsContact CZ-CH2 3.44Å; R89-W115 VanDerWaalsContact NE-CZ3 3.28Å; R89-W115 VanDerWaalsContact NH2-CH2 3.31Å |
| 90 | L | 96.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.7 | 162.8 | 172.1 | 67.8 | 0 | 0 | 0 | 107.8 | F67 V69 I83 T85 I92 T113 Y114 L116 F125 I137 | F67-L90 HydrophobicContact CE1-CD2 4.08Å; V69-L90 HydrophobicContact CG2-CD2 4.13Å; I83-L90 HydrophobicContact CG2-CD1 3.59Å; T85-L90 HydrophobicContact CG2-CD1 3.91Å; L90-I92 HydrophobicContact CD2-CD1 4.29Å; L90-I92 HydrophobicContact CG-CD1 4.39Å; L90-I92 HydrophobicContact CG-CG1 4.26Å; L90-T113 CarbonylContact O-C 3.59Å; L90-T113 VanDerWaalsContact O-CA 3.32Å; L90-T113 WeakPolarHBondContact O-CA 3.34Å; L90-Y114 PolarHBondContact N-O 2.82Å; L90-Y114 PolarHBondContact O-N 3.43Å; L90-L116 HydrophobicContact CB-CD2 3.79Å; L90-L116 HydrophobicContact CB-CG 4.26Å; L90-F125 HydrophobicContact CD1-CE1 4.38Å; L90-I137 HydrophobicContact CD1-CG2 4.25Å; L90-I137 HydrophobicContact CD2-CB 4.38Å; L90-I137 HydrophobicContact CD2-CD1 4.45Å; L90-I137 HydrophobicContact CD2-CG2 3.85Å |
| 91 | M | 96.7 | Very high | 92 | Very high | 61 Ų | 61 | 72 Ų | 72 | 30% | 0.3 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 132.5 | 177.6 | -173.9 | 172.2 | 76 | 0 | 0 | 109.7 | I83 T84 E93 T111 | I83-M91 WeakPolarHBondContact CA-O 3.22Å; T84-M91 PolarHBondContact N-O 2.8Å; T84-M91 PolarHBondContact O-N 3Å; T84-M91 WeakPolarHBondContact OG1-CE 3.28Å; M91-E93 HydrophobicContact CE-CG 4.43Å; M91-E93 VanDerWaalsContact CE-OE1 3.24Å; M91-E93 WeakPolarHBondContact CE-OE1 3.27Å; M91-E93 HydrophobicContact CG-CG 4.43Å; M91-T111 HydrophobicContact CG-CG2 3.92Å; M91-T111 HydrophobicContact SD-CG2 4.1Å |
| 92 | I | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 115.9 | -177.7 | -54.7 | 160.6 | 0 | 0 | 0 | 106.8 | V69 L71 E82 I83 L90 F110 T111 R112 Y114 L135 I137 | V69-I92 HydrophobicContact CG1-CD1 4.41Å; L71-I92 HydrophobicContact CD1-CB 4.33Å; L71-I92 HydrophobicContact CD1-CD1 3.49Å; L71-I92 VanDerWaalsContact CD1-CD1 3.49Å; L71-I92 HydrophobicContact CD1-CG1 4.5Å; L71-I92 HydrophobicContact CD1-CG2 3.98Å; L71-I92 HydrophobicContact CG-CD1 4.49Å; E82-I92 WeakPolarHBondContact O-CA 3.33Å; I83-I92 HydrophobicContact CG1-CG2 4.34Å; I83-I92 HydrophobicContact CG2-CG1 4.49Å; L90-I92 HydrophobicContact CD2-CD1 4.29Å; L90-I92 HydrophobicContact CG-CD1 4.39Å; L90-I92 HydrophobicContact CG-CG1 4.26Å; I92-F110 HydrophobicContact CB-CE2 4.5Å; I92-F110 HydrophobicContact CG2-CE2 3.88Å; I92-F110 HydrophobicContact CG2-CZ 4.26Å; I92-T111 CarbonylContact O-C 3.52Å; I92-T111 WeakPolarHBondContact O-CA 3.48Å; I92-R112 PolarHBondContact N-O 2.79Å; I92-R112 PolarHBondContact O-N 3.1Å; I92-Y114 HydrophobicContact CD1-CD2 4.19Å; I92-Y114 HydrophobicContact CD1-CE2 4.02Å; I92-L135 HydrophobicContact CG2-CD2 4.08Å; I92-I137 HydrophobicContact CD1-CD1 3.3Å; I92-I137 HydrophobicContact CG1-CD1 3.6Å |
| 93 | E | 93.8 | Very high | 91.9 | Very high | 42 Ų | 42 | 80.7 Ų | 80.7 | 20% | 0.196 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 137 | 175.2 | -62.6 | -172.4 | -176.9 | 0 | 0 | 109.2 | F81 E82 M91 K95 F110 T111 | F81-E93 CarbonylContact C-O 3.53Å; F81-E93 VanDerWaalsContact CA-O 3.24Å; F81-E93 WeakPolarHBondContact CA-O 3.37Å; E82-E93 HydrophobicContact CB-CB 4.35Å; E82-E93 PolarHBondContact N-O 2.88Å; E82-E93 PolarHBondContact O-N 2.84Å; M91-E93 HydrophobicContact CE-CG 4.43Å; M91-E93 VanDerWaalsContact CE-OE1 3.24Å; M91-E93 WeakPolarHBondContact CE-OE1 3.27Å; M91-E93 HydrophobicContact CG-CG 4.43Å; E93-K95 IonicContact OE2-NZ 2.61Å; E93-F110 CarbonylContact C-O 3.57Å; E93-F110 WeakPolarHBondContact CA-O 3.42Å; E93-T111 HydrophobicContact CG-CG2 4.02Å |
| 94 | G | 92.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 79.1 Ų | 79.1 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 129.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | K80 E109 F110 | K80-G94 WeakPolarHBondContact O-CA 3.44Å; G94-E109 CarbonylContact O-C 3.54Å; G94-E109 VanDerWaalsContact O-CA 3.31Å; G94-E109 WeakPolarHBondContact O-CA 3.38Å; G94-F110 VanDerWaalsContact CA-CE1 3.45Å; G94-F110 PolarHBondContact N-O 2.81Å; G94-F110 PolarHBondContact O-N 3.24Å |
| 95 | K | 90.1 | Very high | 91.5 | Very high | 85 Ų | 85 | 84.5 Ų | 84.5 | 37% | 0.37 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.5 | -176.9 | -72.3 | 173.9 | 179.3 | 156.9 | 0 | 110.5 | K80 E93 E109 | K80-K95 WeakPolarHBondContact CB-O 3.23Å; K80-K95 WeakPolarHBondContact CD-O 3.32Å; K80-K95 PolarHBondContact O-N 3.5Å; E93-K95 IonicContact OE2-NZ 2.61Å; K95-E109 WeakPolarHBondContact CE-OE1 3.13Å; K95-E109 HydrophobicContact CG-CG 3.98Å; K95-E109 IonicContact NZ-OE1 3.89Å |
| 96 | H | 86.9 | Confident | 91.2 | Very high | 18 Ų | 18 | 82.5 Ų | 82.5 | 8% | 0.083 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 100.7 | 171.9 | -178.3 | 99.1 | 0 | 0 | 0 | 107.7 | F76 N99 V106 K107 R108 | F76-H96 HydrophobicContact CD1-CB 3.95Å; F76-H96 HydrophobicContact CE1-CB 4.32Å; H96-N99 PolarHBondContact CE1-ND2 2.92Å; H96-N99 PolarHBondContact NE2-ND2 2.81Å; H96-V106 PolarHBondContact CD2-O 3.21Å; H96-V106 VanDerWaalsContact CD2-O 3.27Å; H96-V106 PolarHBondContact NE2-O 3.4Å; H96-K107 WeakPolarHBondContact O-CA 3.47Å; H96-K107 VanDerWaalsContact O-CG 3.29Å; H96-K107 WeakPolarHBondContact O-CG 3.15Å; H96-R108 CarbonylContact C-O 3.55Å; H96-R108 WeakPolarHBondContact CA-O 3.25Å; H96-R108 HydrophobicContact CB-CB 4.03Å; H96-R108 WeakPolarHBondContact CB-O 3.21Å; H96-R108 PolarHBondContact N-O 2.82Å; H96-R108 PolarHBondContact O-N 3.29Å; H96-R108 VanDerWaalsContact O-O 3.13Å |
| 97 | E | 87.2 | Confident | 91.1 | Very high | 95 Ų | 95 | 82.2 Ų | 82.2 | 44% | 0.444 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 154.2 | 170.1 | -64.3 | -53.7 | 146.8 | 0 | 0 | 111.4 | K80 N99 | K80-E97 VanDerWaalsContact NZ-CG 3.25Å; E97-N99 PolarHBondContact O-N 2.8Å; E97-N99 VanDerWaalsContact O-N 3.12Å; E97-N99 PolarHBondContact O-ND2 2.88Å |
| 98 | E | 89.3 | Confident | 90.9 | Very high | 125 Ų | 125 | 81.6 Ų | 81.6 | 58% | 0.584 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 118.5 | 178.9 | -170.5 | 167.3 | -102.3 | 0 | 0 | 110.8 | Y105 V106 K107 | E98-Y105 HydrophobicContact CG-CD1 4.18Å; E98-Y105 HydrophobicContact CG-CG 4.33Å; E98-V106 VanDerWaalsContact CA-O 3.32Å; E98-V106 WeakPolarHBondContact CA-O 3.1Å; E98-K107 HydrophobicContact CB-CB 4.1Å |
| 99 | N | 85.9 | Confident | 90.8 | Very high | 42 Ų | 42 | 81.4 Ų | 81.4 | 23% | 0.225 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 148.8 | 174.7 | -62.8 | -76.7 | 0 | 0 | 0 | 109.4 | K77 H96 E97 Y105 V106 | K77-N99 VanDerWaalsContact NZ-CG 3.35Å; K77-N99 PolarHBondContact NZ-ND2 3.15Å; K77-N99 PolarHBondContact NZ-OD1 2.94Å; H96-N99 PolarHBondContact CE1-ND2 2.92Å; H96-N99 PolarHBondContact NE2-ND2 2.81Å; E97-N99 PolarHBondContact O-N 2.8Å; E97-N99 VanDerWaalsContact O-N 3.12Å; E97-N99 PolarHBondContact O-ND2 2.88Å; N99-Y105 CarbonylContact O-C 3.55Å; N99-Y105 WeakPolarHBondContact O-CA 3.44Å; N99-V106 PolarHBondContact N-O 2.95Å; N99-V106 PolarHBondContact O-N 3.2Å |
| 100 | K | 89.2 | Confident | 90.6 | Very high | 164 Ų | 164 | 78.1 Ų | 78.1 | 71% | 0.713 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 132.4 | 171.3 | -167.3 | 178.5 | 179.2 | -176.9 | 0 | 110.2 | G104 Y105 | K100-G104 CarbonylContact C-O 3.5Å; K100-G104 VanDerWaalsContact CA-O 3.25Å; K100-G104 WeakPolarHBondContact CA-O 3.47Å; K100-G104 WeakPolarHBondContact CG-O 3.27Å; K100-Y105 HydrophobicContact CB-CD1 4.17Å; K100-Y105 HydrophobicContact CB-CE1 4.05Å; K100-Y105 HydrophobicContact CG-CE1 4.38Å |
| 101 | D | 84.9 | Confident | 90.5 | Very high | 64 Ų | 64 | 81.9 Ų | 81.9 | 34% | 0.342 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | -172.2 | 167.1 | 73.1 | 3.2 | 0 | 0 | 0 | 110.5 | H103 G104 V106 | D101-H103 PolarHBondContact O-N 2.84Å; D101-H103 VanDerWaalsContact O-N 3.17Å; D101-H103 PolarHBondContact OD1-N 2.8Å; D101-G104 PolarHBondContact N-O 3.31Å; D101-G104 PolarHBondContact OD1-N 2.92Å; D101-V106 WeakPolarHBondContact OD2-CG2 3.46Å |
| 102 | D | 89.3 | Confident | 90.3 | Very high | 159 Ų | 159 | 83 Ų | 83 | 85% | 0.85 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.3 | -177.1 | -63.1 | -31.6 | 0 | 0 | 0 | 113.4 | ||
| 103 | H | 90.7 | Very high | 90.4 | Very high | 181 Ų | 181 | 86 Ų | 86 | 84% | 0.838 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | -3.2 | -171.8 | -60.3 | -57.9 | 0 | 0 | 0 | 114.1 | D101 | D101-H103 PolarHBondContact O-N 2.84Å; D101-H103 VanDerWaalsContact O-N 3.17Å; D101-H103 PolarHBondContact OD1-N 2.8Å |
| 104 | G | 92.8 | Very high | 90.5 | Very high | 28 Ų | 28 | 85.1 Ų | 85.1 | 29% | 0.289 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.7 | -134 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K100 D101 | K100-G104 CarbonylContact C-O 3.5Å; K100-G104 VanDerWaalsContact CA-O 3.25Å; K100-G104 WeakPolarHBondContact CA-O 3.47Å; K100-G104 WeakPolarHBondContact CG-O 3.27Å; D101-G104 PolarHBondContact N-O 3.31Å; D101-G104 PolarHBondContact OD1-N 2.92Å |
| 105 | Y | 91.3 | Very high | 90.7 | Very high | 159 Ų | 159 | 93.4 Ų | 93.4 | 62% | 0.624 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139.6 | 178.6 | -65.2 | -89.4 | 0 | 0 | 0 | 109.4 | E98 N99 K100 | E98-Y105 HydrophobicContact CG-CD1 4.18Å; E98-Y105 HydrophobicContact CG-CG 4.33Å; N99-Y105 CarbonylContact O-C 3.55Å; N99-Y105 WeakPolarHBondContact O-CA 3.44Å; K100-Y105 HydrophobicContact CB-CD1 4.17Å; K100-Y105 HydrophobicContact CB-CE1 4.05Å; K100-Y105 HydrophobicContact CG-CE1 4.38Å |
| 106 | V | 88.8 | Confident | 90.9 | Very high | 28 Ų | 28 | 90.8 Ų | 90.8 | 17% | 0.17 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 128.3 | 178.2 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | H96 E98 N99 D101 R108 | H96-V106 PolarHBondContact CD2-O 3.21Å; H96-V106 VanDerWaalsContact CD2-O 3.27Å; H96-V106 PolarHBondContact NE2-O 3.4Å; E98-V106 VanDerWaalsContact CA-O 3.32Å; E98-V106 WeakPolarHBondContact CA-O 3.1Å; N99-V106 PolarHBondContact N-O 2.95Å; N99-V106 PolarHBondContact O-N 3.2Å; D101-V106 WeakPolarHBondContact OD2-CG2 3.46Å; V106-R108 HydrophobicContact CG1-CG 3.83Å; V106-R108 VanDerWaalsContact CG1-NH1 3.27Å |
| 107 | K | 90.4 | Very high | 91.2 | Very high | 133 Ų | 133 | 91.2 Ų | 91.2 | 58% | 0.578 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 135.7 | 169.3 | -170.8 | 177.7 | -178.1 | 171 | 0 | 108.9 | H96 E98 | H96-K107 WeakPolarHBondContact O-CA 3.47Å; H96-K107 VanDerWaalsContact O-CG 3.29Å; H96-K107 WeakPolarHBondContact O-CG 3.15Å; E98-K107 HydrophobicContact CB-CB 4.1Å |
| 108 | R | 88.6 | Confident | 91.3 | Very high | 95 Ų | 95 | 95.6 Ų | 95.6 | 36% | 0.358 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 147.6 | 178 | -58.6 | -179.8 | 179.2 | 99.5 | -1 | 110.3 | F76 H96 V106 | F76-R108 HydrophobicContact CE1-CB 3.73Å; F76-R108 HydrophobicContact CZ-CB 4.1Å; H96-R108 CarbonylContact C-O 3.55Å; H96-R108 WeakPolarHBondContact CA-O 3.25Å; H96-R108 HydrophobicContact CB-CB 4.03Å; H96-R108 WeakPolarHBondContact CB-O 3.21Å; H96-R108 PolarHBondContact N-O 2.82Å; H96-R108 PolarHBondContact O-N 3.29Å; H96-R108 VanDerWaalsContact O-O 3.13Å; V106-R108 HydrophobicContact CG1-CG 3.83Å; V106-R108 VanDerWaalsContact CG1-NH1 3.27Å |
| 109 | E | 91.1 | Very high | 91.4 | Very high | 120 Ų | 120 | 90.9 Ų | 90.9 | 56% | 0.561 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 144.6 | 172.5 | 178.6 | 170.3 | -165.3 | 0 | 0 | 108.6 | G94 K95 | G94-E109 CarbonylContact O-C 3.54Å; G94-E109 VanDerWaalsContact O-CA 3.31Å; G94-E109 WeakPolarHBondContact O-CA 3.38Å; K95-E109 WeakPolarHBondContact CE-OE1 3.13Å; K95-E109 HydrophobicContact CG-CG 3.98Å; K95-E109 IonicContact NZ-OE1 3.89Å |
| 110 | F | 91.7 | Very high | 91.7 | Very high | 41 Ų | 41 | 90 Ų | 90 | 18% | 0.18 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 150.8 | 169.9 | 75.8 | -90 | 0 | 0 | 0 | 111.5 | L71 V73 F76 F81 I92 E93 G94 R112 | L71-F110 HydrophobicContact CD1-CE2 4.44Å; V73-F110 HydrophobicContact CG1-CE1 4.27Å; V73-F110 HydrophobicContact CG1-CZ 4Å; F76-F110 HydrophobicContact CD1-CD1 4.11Å; F76-F110 HydrophobicContact CD1-CE1 4.08Å; F76-F110 HydrophobicContact CD2-CD1 4.33Å; F76-F110 HydrophobicContact CD2-CE1 4.04Å; F76-F110 AromaticContact CE1-CD1 3.55Å; F76-F110 HydrophobicContact CE1-CD1 3.55Å; F76-F110 HydrophobicContact CE1-CE1 4Å; F76-F110 AromaticContact CE2-CD1 3.79Å; F76-F110 HydrophobicContact CE2-CD1 3.79Å; F76-F110 AromaticContact CE2-CE1 3.94Å; F76-F110 HydrophobicContact CE2-CE1 3.94Å; F76-F110 HydrophobicContact CG-CD1 4.48Å; F76-F110 HydrophobicContact CG-CE1 4.13Å; F76-F110 AromaticContact CZ-CD1 3.39Å; F76-F110 HydrophobicContact CZ-CD1 3.39Å; F76-F110 AromaticContact CZ-CE1 3.94Å; F76-F110 HydrophobicContact CZ-CE1 3.94Å; F76-F110 HydrophobicContact CZ-CG 4.39Å; F81-F110 HydrophobicContact CD1-CE1 4.1Å; F81-F110 AromaticContact CD1-CZ 3.93Å; F81-F110 HydrophobicContact CD1-CZ 3.93Å; F81-F110 AromaticContact CE1-CE1 3.86Å; F81-F110 HydrophobicContact CE1-CE1 3.86Å; F81-F110 HydrophobicContact CE1-CZ 4Å; I92-F110 HydrophobicContact CB-CE2 4.5Å; I92-F110 HydrophobicContact CG2-CE2 3.88Å; I92-F110 HydrophobicContact CG2-CZ 4.26Å; E93-F110 CarbonylContact C-O 3.57Å; E93-F110 WeakPolarHBondContact CA-O 3.42Å; G94-F110 VanDerWaalsContact CA-CE1 3.45Å; G94-F110 PolarHBondContact N-O 2.81Å; G94-F110 PolarHBondContact O-N 3.24Å; F110-R112 HydrophobicContact CD2-CB 4.34Å |
| 111 | T | 93.4 | Very high | 91.8 | Very high | 79 Ų | 79 | 84.9 Ų | 84.9 | 49% | 0.485 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 126.2 | 164.9 | -55.7 | 0 | 0 | 0 | 0 | 107.4 | M91 I92 E93 | M91-T111 HydrophobicContact CG-CG2 3.92Å; M91-T111 HydrophobicContact SD-CG2 4.1Å; I92-T111 CarbonylContact O-C 3.52Å; I92-T111 WeakPolarHBondContact O-CA 3.48Å; E93-T111 HydrophobicContact CG-CG2 4.02Å |
| 112 | R | 93.6 | Very high | 92 | Very high | 83 Ų | 83 | 86.2 Ų | 86.2 | 31% | 0.313 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 127.7 | 177.5 | -159.1 | 161.7 | -173.2 | 164.8 | 3.3 | 110.6 | G56 S58 I92 F110 Y114 | G56-R112 PolarHBondContact O-NH1 2.62Å; S58-R112 VanDerWaalsContact CB-CZ 3.46Å; S58-R112 PolarHBondContact OG-NH2 2.66Å; I92-R112 PolarHBondContact N-O 2.79Å; I92-R112 PolarHBondContact O-N 3.1Å; F110-R112 HydrophobicContact CD2-CB 4.34Å; R112-Y114 HydrophobicContact CB-CE2 4.3Å; R112-Y114 VanDerWaalsContact CD-OH 3.27Å; R112-Y114 WeakPolarHBondContact CD-OH 3.49Å; R112-Y114 HydrophobicContact CG-CE2 3.67Å; R112-Y114 PolarHBondContact NE-OH 2.91Å |
| 113 | T | 96.1 | Very high | 92.1 | Very high | 63 Ų | 63 | 87.2 Ų | 87.2 | 39% | 0.387 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 132.7 | -175 | -52.2 | 0 | 0 | 0 | 0 | 110.3 | R89 L90 | R89-T113 HydrophobicContact CB-CG2 3.76Å; R89-T113 HydrophobicContact CG-CG2 4.09Å; L90-T113 CarbonylContact O-C 3.59Å; L90-T113 VanDerWaalsContact O-CA 3.32Å; L90-T113 WeakPolarHBondContact O-CA 3.34Å |
| 114 | Y | 96.6 | Very high | 92.3 | Very high | 25 Ų | 25 | 79.8 Ų | 79.8 | 10% | 0.098 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136.8 | 177.7 | -66 | -87.7 | 0 | 0 | 0 | 109.9 | S58 V60 V69 L71 R89 L90 I92 R112 | S58-Y114 WeakPolarHBondContact CB-OH 3.26Å; S58-Y114 PolarHBondContact OG-OH 2.95Å; V60-Y114 HydrophobicContact CG2-CD1 3.87Å; V60-Y114 HydrophobicContact CG2-CE1 3.5Å; V69-Y114 HydrophobicContact CG1-CD2 4.06Å; V69-Y114 HydrophobicContact CG1-CE1 4.11Å; V69-Y114 HydrophobicContact CG1-CE2 3.51Å; V69-Y114 HydrophobicContact CG2-CD1 4.14Å; V69-Y114 HydrophobicContact CG2-CD2 4.15Å; V69-Y114 HydrophobicContact CG2-CE1 4.38Å; V69-Y114 HydrophobicContact CG2-CE2 4.39Å; V69-Y114 HydrophobicContact CG2-CG 4.01Å; L71-Y114 HydrophobicContact CD2-CE2 4.43Å; L71-Y114 VanDerWaalsContact CD2-OH 3.25Å; L71-Y114 WeakPolarHBondContact CD2-OH 3.04Å; R89-Y114 CarbonylContact C-O 3.54Å; R89-Y114 VanDerWaalsContact CA-O 3.22Å; R89-Y114 WeakPolarHBondContact CA-O 3.33Å; L90-Y114 PolarHBondContact N-O 2.82Å; L90-Y114 PolarHBondContact O-N 3.43Å; I92-Y114 HydrophobicContact CD1-CD2 4.19Å; I92-Y114 HydrophobicContact CD1-CE2 4.02Å; R112-Y114 HydrophobicContact CB-CE2 4.3Å; R112-Y114 VanDerWaalsContact CD-OH 3.27Å; R112-Y114 WeakPolarHBondContact CD-OH 3.49Å; R112-Y114 HydrophobicContact CG-CE2 3.67Å; R112-Y114 PolarHBondContact NE-OH 2.91Å |
| 115 | W | 95.8 | Very high | 92.5 | Very high | 174 Ų | 174 | 81 Ų | 81 | 66% | 0.659 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 131.8 | 168.9 | -68.8 | 107.6 | 0 | 0 | 0 | 110.1 | R89 P117 | R89-W115 HydrophobicContact CG-CD2 4.27Å; R89-W115 HydrophobicContact CG-CE3 3.64Å; R89-W115 HydrophobicContact CG-CH2 4.4Å; R89-W115 HydrophobicContact CG-CZ3 3.71Å; R89-W115 VanDerWaalsContact CZ-CH2 3.44Å; R89-W115 VanDerWaalsContact NE-CZ3 3.28Å; R89-W115 VanDerWaalsContact NH2-CH2 3.31Å; W115-P117 WeakPolarHBondContact O-CD 3.26Å |
| 116 | L | 95.2 | Very high | 92.8 | Very high | 31 Ų | 31 | 79.3 Ų | 79.3 | 16% | 0.162 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 127.5 | 176.3 | -70 | 179.4 | 0 | 0 | 0 | 109.8 | F67 T85 D88 L90 I120 F125 | F67-L116 HydrophobicContact CD1-CD2 3.98Å; F67-L116 HydrophobicContact CE1-CD2 3.64Å; F67-L116 HydrophobicContact CZ-CD2 4.27Å; T85-L116 HydrophobicContact CG2-CD1 4.28Å; D88-L116 WeakPolarHBondContact O-CB 3.22Å; D88-L116 PolarHBondContact O-N 3.19Å; L90-L116 HydrophobicContact CB-CD2 3.79Å; L90-L116 HydrophobicContact CB-CG 4.26Å; L116-I120 HydrophobicContact CB-CD1 4.08Å; L116-I120 HydrophobicContact CD2-CD1 3.81Å; L116-I120 HydrophobicContact CG-CD1 4.5Å; L116-F125 HydrophobicContact CD1-CE2 4.43Å; L116-F125 HydrophobicContact CD1-CZ 3.98Å; L116-F125 HydrophobicContact CD2-CE1 4.24Å; L116-F125 HydrophobicContact CD2-CZ 3.69Å |
| 117 | P | 93.1 | Very high | 93.1 | Very high | 26 Ų | 26 | 81.6 Ų | 81.6 | 17% | 0.169 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -51.5 | 147.9 | 164.6 | -25.7 | 27.2 | 0 | 0 | 0 | 112.2 | N62 F67 W115 I120 | N62-P117 WeakPolarHBondContact OD1-CG 3.37Å; F67-P117 HydrophobicContact CB-CG 4.37Å; F67-P117 HydrophobicContact CD2-CG 3.54Å; F67-P117 HydrophobicContact CE2-CG 4.08Å; F67-P117 HydrophobicContact CG-CG 4.14Å; W115-P117 WeakPolarHBondContact O-CD 3.26Å; P117-I120 HydrophobicContact CB-CD1 4.01Å; P117-I120 HydrophobicContact CB-CG1 4.32Å; P117-I120 VanDerWaalsContact CD-CD1 3.47Å; P117-I120 HydrophobicContact CG-CD1 3.92Å; P117-I120 WeakPolarHBondContact O-CG1 3.45Å |
| 118 | K | 90.3 | Very high | 93.3 | Very high | 188 Ų | 188 | 80.3 Ų | 80.3 | 82% | 0.817 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 145.2 | 170.1 | -62.2 | -174.3 | 177.5 | -176.6 | 0 | 110.2 | L145 | K118-L145 HydrophobicContact CB-CD1 3.47Å; K118-L145 VanDerWaalsContact CB-CD1 3.47Å |
| 119 | G | 90.7 | Very high | 93.5 | Very high | 26 Ų | 26 | 78.2 Ų | 78.2 | 27% | 0.268 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 22.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K141 V142 | G119-K141 CarbonylContact O-C 3.57Å; G119-K141 VanDerWaalsContact O-CA 3.29Å; G119-K141 WeakPolarHBondContact O-CA 3.32Å; G119-V142 PolarHBondContact O-N 3.27Å |
| 120 | I | 92.6 | Very high | 93.6 | Very high | 23 Ų | 23 | 73.4 Ų | 73.4 | 12% | 0.118 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -75.1 | 136.8 | 167.6 | -72.8 | 174.9 | 0 | 0 | 0 | 109.5 | F67 L116 P117 P122 F125 A139 K141 | F67-I120 HydrophobicContact CB-CD1 3.64Å; F67-I120 HydrophobicContact CB-CG1 4.33Å; F67-I120 HydrophobicContact CD1-CD1 3.98Å; F67-I120 HydrophobicContact CG-CD1 3.81Å; L116-I120 HydrophobicContact CB-CD1 4.08Å; L116-I120 HydrophobicContact CD2-CD1 3.81Å; L116-I120 HydrophobicContact CG-CD1 4.5Å; P117-I120 HydrophobicContact CB-CD1 4.01Å; P117-I120 HydrophobicContact CB-CG1 4.32Å; P117-I120 VanDerWaalsContact CD-CD1 3.47Å; P117-I120 HydrophobicContact CG-CD1 3.92Å; P117-I120 WeakPolarHBondContact O-CG1 3.45Å; I120-P122 WeakPolarHBondContact O-CD 2.94Å; I120-F125 HydrophobicContact CG2-CE2 3.62Å; I120-F125 HydrophobicContact CG2-CZ 3.73Å; I120-A139 HydrophobicContact CG2-CB 3.74Å; I120-K141 HydrophobicContact CG1-CG 4.25Å |
| 121 | N | 90.6 | Very high | 93.6 | Very high | 57 Ų | 57 | 76.8 Ų | 76.8 | 31% | 0.305 | 40% | 0.4 | S | S | . | . | trans | -79.6 | 113.1 | 169.7 | -179.9 | 3.7 | 0 | 0 | 0 | 109.2 | E123 S124 A140 V142 | N121-E123 PolarHBondContact O-N 2.81Å; N121-E123 PolarHBondContact OD1-N 2.78Å; N121-E123 VanDerWaalsContact OD1-N 3.12Å; N121-S124 WeakPolarHBondContact O-CB 3.24Å; N121-S124 PolarHBondContact O-N 2.87Å; N121-S124 PolarHBondContact O-OG 2.95Å; N121-A140 PolarHBondContact N-O 3.14Å; N121-V142 HydrophobicContact CB-CG2 3.7Å | ||
| 122 | P | 90.1 | Very high | 93.5 | Very high | 92 Ų | 92 | 77.8 Ų | 77.8 | 60% | 0.597 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -62.8 | -26.4 | -178.2 | 26.5 | -35.3 | 0 | 0 | 0 | 113.4 | I120 S124 F125 | I120-P122 WeakPolarHBondContact O-CD 2.94Å; P122-S124 VanDerWaalsContact C-N 3.26Å; P122-S124 PolarHBondContact O-N 3.36Å; P122-F125 WeakPolarHBondContact O-CD2 3.32Å |
| 123 | E | 91.9 | Very high | 93.4 | Very high | 179 Ų | 179 | 74.3 Ų | 74.3 | 84% | 0.836 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -79.9 | -10.9 | 178 | -62.1 | -177.4 | 172.1 | 0 | 0 | 112.9 | N121 | N121-E123 PolarHBondContact O-N 2.81Å; N121-E123 PolarHBondContact OD1-N 2.78Å; N121-E123 VanDerWaalsContact OD1-N 3.12Å |
| 124 | S | 94.7 | Very high | 93.3 | Very high | 26 Ų | 26 | 74.1 Ų | 74.1 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -90 | -2 | -176.9 | 74.4 | 0 | 0 | 0 | 0 | 114.4 | N121 P122 K126 A140 | N121-S124 WeakPolarHBondContact O-CB 3.24Å; N121-S124 PolarHBondContact O-N 2.87Å; N121-S124 PolarHBondContact O-OG 2.95Å; P122-S124 VanDerWaalsContact C-N 3.26Å; P122-S124 PolarHBondContact O-N 3.36Å; S124-K126 PolarHBondContact O-N 2.78Å; S124-A140 PolarHBondContact OG-N 2.97Å; S124-A140 PolarHBondContact OG-O 2.71Å |
| 125 | F | 96.5 | Very high | 93.2 | Very high | 52 Ų | 52 | 73.3 Ų | 73.3 | 23% | 0.228 | 39% | 0.385 | C | S | . | . | trans | -63.5 | 130.6 | 177.6 | -83 | -79.2 | 0 | 0 | 0 | 110.8 | T85 L90 L116 I120 P122 I137 E138 A139 | T85-F125 HydrophobicContact CG2-CD2 4.19Å; T85-F125 HydrophobicContact CG2-CE1 4.39Å; T85-F125 HydrophobicContact CG2-CE2 3.85Å; T85-F125 HydrophobicContact CG2-CZ 3.97Å; L90-F125 HydrophobicContact CD1-CE1 4.38Å; L116-F125 HydrophobicContact CD1-CE2 4.43Å; L116-F125 HydrophobicContact CD1-CZ 3.98Å; L116-F125 HydrophobicContact CD2-CE1 4.24Å; L116-F125 HydrophobicContact CD2-CZ 3.69Å; I120-F125 HydrophobicContact CG2-CE2 3.62Å; I120-F125 HydrophobicContact CG2-CZ 3.73Å; P122-F125 WeakPolarHBondContact O-CD2 3.32Å; F125-I137 HydrophobicContact CD1-CG2 4.02Å; F125-I137 HydrophobicContact CE1-CG2 4.46Å; F125-E138 CarbonylContact C-O 3.58Å; F125-E138 WeakPolarHBondContact CA-O 3.35Å; F125-A139 HydrophobicContact CD1-CB 3.6Å; F125-A139 HydrophobicContact CD2-CB 4.09Å; F125-A139 HydrophobicContact CE1-CB 3.58Å; F125-A139 HydrophobicContact CE2-CB 4.08Å; F125-A139 HydrophobicContact CG-CB 3.85Å; F125-A139 HydrophobicContact CZ-CB 3.82Å | ||
| 126 | K | 96.8 | Very high | 93.3 | Very high | 124 Ų | 124 | 66.5 Ų | 66.5 | 54% | 0.539 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 147.7 | 170.3 | 49.8 | 170.3 | 155.9 | 154.6 | 0 | 109.7 | S124 I137 E138 | S124-K126 PolarHBondContact O-N 2.78Å; K126-I137 WeakPolarHBondContact O-CA 3.35Å; K126-E138 HydrophobicContact CD-CG 3.87Å; K126-E138 VanDerWaalsContact CD-OE1 3.3Å; K126-E138 WeakPolarHBondContact CD-OE1 3.29Å; K126-E138 VanDerWaalsContact CE-CD 3.41Å; K126-E138 WeakPolarHBondContact CE-OE1 3.47Å; K126-E138 HydrophobicContact CG-CG 3.52Å; K126-E138 PolarHBondContact N-O 3.36Å; K126-E138 IonicContact NZ-OE1 3.99Å; K126-E138 PolarHBondContact NZ-OE1 2.9Å; K126-E138 PolarHBondContact O-N 3.26Å |
| 127 | S | 95.3 | Very high | 93.4 | Very high | 77 Ų | 77 | 65.1 Ų | 65.1 | 54% | 0.538 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 148 | 175.7 | 61 | 0 | 0 | 0 | 0 | 110.6 | T136 | S127-T136 CarbonylContact C-O 3.53Å; S127-T136 VanDerWaalsContact CA-O 3.27Å; S127-T136 WeakPolarHBondContact CA-O 3.31Å |
| 128 | N | 95 | Very high | 93.6 | Very high | 105 Ų | 105 | 66.1 Ų | 66.1 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 133.2 | 175.3 | -175.2 | -84.5 | 0 | 0 | 0 | 109.5 | T136 | N128-T136 PolarHBondContact N-O 3.22Å; N128-T136 PolarHBondContact O-N 3.01Å |
| 129 | L | 93.5 | Very high | 93.9 | Very high | 51 Ų | 51 | 57.3 Ų | 57.3 | 27% | 0.267 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 113.3 | 172.2 | -179.4 | 59.9 | 0 | 0 | 0 | 109.2 | V73 R78 F81 L135 | V73-L129 HydrophobicContact CG2-CD1 3.61Å; R78-L129 HydrophobicContact CB-CD2 3.62Å; R78-L129 HydrophobicContact CG-CD2 3.69Å; F81-L129 HydrophobicContact CE2-CD2 4.01Å; L129-L135 HydrophobicContact CB-CD1 4.46Å; L129-L135 HydrophobicContact CD1-CB 4.09Å |
| 130 | S | 93.1 | Very high | 94.1 | Very high | 20 Ų | 20 | 58.3 Ų | 58.3 | 14% | 0.14 | 33% | 0.326 | C | S | . | . | trans | -76.1 | 156.6 | 179.8 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | N132 G133 L134 | S130-N132 VanDerWaalsContact CB-OD1 3.24Å; S130-N132 WeakPolarHBondContact CB-OD1 3.35Å; S130-N132 PolarHBondContact O-N 3.39Å; S130-N132 PolarHBondContact OG-OD1 3.03Å; S130-G133 PolarHBondContact O-N 2.75Å; S130-L134 PolarHBondContact N-O 3.03Å; S130-L134 WeakPolarHBondContact OG-CA 3.35Å; S130-L134 VanDerWaalsContact OG-CB 3.23Å; S130-L134 WeakPolarHBondContact OG-CB 3.24Å; S130-L134 PolarHBondContact OG-N 2.85Å; S130-L134 PolarHBondContact OG-O 3.03Å | ||
| 131 | P | 91.9 | Very high | 94.2 | Very high | 111 Ų | 111 | 59.2 Ų | 59.2 | 72% | 0.721 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -28.5 | -177.5 | -25.5 | 35 | 0 | 0 | 0 | 114.5 | R78 G133 | R78-P131 PolarHBondContact NH2-O 2.83Å; P131-G133 PolarHBondContact O-N 3.3Å |
| 132 | N | 90.9 | Very high | 93.9 | Very high | 101 Ų | 101 | 60.8 Ų | 60.8 | 54% | 0.54 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 8.7 | 177.3 | 66.5 | -18.6 | 0 | 0 | 0 | 113.4 | T74 S130 | T74-N132 PolarHBondContact OG1-O 3.43Å; S130-N132 VanDerWaalsContact CB-OD1 3.24Å; S130-N132 WeakPolarHBondContact CB-OD1 3.35Å; S130-N132 PolarHBondContact O-N 3.39Å; S130-N132 PolarHBondContact OG-OD1 3.03Å |
| 133 | G | 91.5 | Very high | 93 | Very high | 9 Ų | 9 | 59.5 Ų | 59.5 | 9% | 0.093 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 85.9 | 16.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | V73 T74 S130 P131 | V73-G133 CarbonylContact C-O 3.5Å; V73-G133 WeakPolarHBondContact CG2-O 3.35Å; V73-G133 PolarHBondContact N-O 3.04Å; T74-G133 PolarHBondContact N-O 2.85Å; S130-G133 PolarHBondContact O-N 2.75Å; P131-G133 PolarHBondContact O-N 3.3Å |
| 134 | L | 93.4 | Very high | 91.5 | Very high | 59 Ų | 59 | 62 Ų | 62 | 31% | 0.309 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 114.7 | 173 | -52.7 | 174.9 | 0 | 0 | 0 | 110.7 | T70 L71 D72 S130 | T70-L134 HydrophobicContact CG2-CB 4.12Å; L71-L134 CarbonylContact O-C 3.53Å; L71-L134 WeakPolarHBondContact O-CA 3.37Å; D72-L134 HydrophobicContact CB-CD2 4.03Å; S130-L134 PolarHBondContact N-O 3.03Å; S130-L134 WeakPolarHBondContact OG-CA 3.35Å; S130-L134 VanDerWaalsContact OG-CB 3.23Å; S130-L134 WeakPolarHBondContact OG-CB 3.24Å; S130-L134 PolarHBondContact OG-N 2.85Å; S130-L134 PolarHBondContact OG-O 3.03Å |
| 135 | L | 95 | Very high | 89.8 | Confident | 8 Ų | 8 | 65.7 Ų | 65.7 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 117.4 | 171.1 | 176.1 | 62.7 | 0 | 0 | 0 | 109.2 | T70 L71 V73 I92 L129 I137 | T70-L135 CarbonylContact C-O 3.51Å; T70-L135 WeakPolarHBondContact CA-O 3.28Å; L71-L135 HydrophobicContact CB-CB 4.36Å; L71-L135 PolarHBondContact N-O 2.88Å; L71-L135 PolarHBondContact O-N 2.87Å; V73-L135 HydrophobicContact CG1-CB 4.24Å; V73-L135 HydrophobicContact CG2-CB 3.89Å; I92-L135 HydrophobicContact CG2-CD2 4.08Å; L129-L135 HydrophobicContact CB-CD1 4.46Å; L129-L135 HydrophobicContact CD1-CB 4.09Å; L135-I137 HydrophobicContact CD2-CD1 4.32Å; L135-I137 HydrophobicContact CG-CD1 4.4Å; L135-I137 HydrophobicContact CG-CG1 4.42Å |
| 136 | T | 96.3 | Very high | 87.9 | Confident | 31 Ų | 31 | 71.6 Ų | 71.6 | 19% | 0.19 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 130.4 | 175.7 | -53.9 | 0 | 0 | 0 | 0 | 109.6 | Q68 V69 S127 N128 | Q68-T136 HydrophobicContact CG-CG2 3.8Å; V69-T136 CarbonylContact O-C 3.51Å; V69-T136 WeakPolarHBondContact O-CA 3.05Å; S127-T136 CarbonylContact C-O 3.53Å; S127-T136 VanDerWaalsContact CA-O 3.27Å; S127-T136 WeakPolarHBondContact CA-O 3.31Å; N128-T136 PolarHBondContact N-O 3.22Å; N128-T136 PolarHBondContact O-N 3.01Å |
| 137 | I | 97.2 | Very high | 86.3 | Confident | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.015 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126 | 173.9 | -61.9 | 156.5 | 0 | 0 | 0 | 107.2 | Q68 V69 I83 L90 I92 F125 K126 L135 | Q68-I137 CarbonylContact C-O 3.58Å; Q68-I137 VanDerWaalsContact CA-O 3.28Å; Q68-I137 WeakPolarHBondContact CA-O 3.35Å; V69-I137 PolarHBondContact N-O 2.8Å; V69-I137 PolarHBondContact O-N 2.82Å; I83-I137 HydrophobicContact CD1-CD1 3.69Å; I83-I137 HydrophobicContact CD1-CG1 3.9Å; I83-I137 HydrophobicContact CG1-CD1 4.03Å; I83-I137 HydrophobicContact CG2-CD1 4.05Å; L90-I137 HydrophobicContact CD1-CG2 4.25Å; L90-I137 HydrophobicContact CD2-CB 4.38Å; L90-I137 HydrophobicContact CD2-CD1 4.45Å; L90-I137 HydrophobicContact CD2-CG2 3.85Å; I92-I137 HydrophobicContact CD1-CD1 3.3Å; I92-I137 HydrophobicContact CG1-CD1 3.6Å; F125-I137 HydrophobicContact CD1-CG2 4.02Å; F125-I137 HydrophobicContact CE1-CG2 4.46Å; K126-I137 WeakPolarHBondContact O-CA 3.35Å; L135-I137 HydrophobicContact CD2-CD1 4.32Å; L135-I137 HydrophobicContact CG-CD1 4.4Å; L135-I137 HydrophobicContact CG-CG1 4.42Å |
| 138 | E | 97.2 | Very high | 85.1 | Confident | 46 Ų | 46 | 72.5 Ų | 72.5 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 151.2 | -178.8 | 62.7 | 178.4 | 169.9 | 0 | 0 | 112.2 | F67 Q68 F125 K126 | F67-E138 CarbonylContact O-C 3.53Å; F67-E138 VanDerWaalsContact O-CA 3.22Å; F67-E138 WeakPolarHBondContact O-CA 2.94Å; Q68-E138 HydrophobicContact CB-CB 3.9Å; Q68-E138 HydrophobicContact CG-CB 4.02Å; F125-E138 CarbonylContact C-O 3.58Å; F125-E138 WeakPolarHBondContact CA-O 3.35Å; K126-E138 HydrophobicContact CD-CG 3.87Å; K126-E138 VanDerWaalsContact CD-OE1 3.3Å; K126-E138 WeakPolarHBondContact CD-OE1 3.29Å; K126-E138 VanDerWaalsContact CE-CD 3.41Å; K126-E138 WeakPolarHBondContact CE-OE1 3.47Å; K126-E138 HydrophobicContact CG-CG 3.52Å; K126-E138 PolarHBondContact N-O 3.36Å; K126-E138 IonicContact NZ-OE1 3.99Å; K126-E138 PolarHBondContact NZ-OE1 2.9Å; K126-E138 PolarHBondContact O-N 3.26Å |
| 139 | A | 97.1 | Very high | 84.5 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 3% | 0.033 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 147.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | K66 F67 I120 F125 | K66-A139 CarbonylContact C-O 3.44Å; K66-A139 VanDerWaalsContact CA-O 3.3Å; K66-A139 WeakPolarHBondContact CA-O 3.02Å; F67-A139 PolarHBondContact N-O 2.76Å; F67-A139 PolarHBondContact O-N 3.49Å; I120-A139 HydrophobicContact CG2-CB 3.74Å; F125-A139 HydrophobicContact CD1-CB 3.6Å; F125-A139 HydrophobicContact CD2-CB 4.09Å; F125-A139 HydrophobicContact CE1-CB 3.58Å; F125-A139 HydrophobicContact CE2-CB 4.08Å; F125-A139 HydrophobicContact CG-CB 3.85Å; F125-A139 HydrophobicContact CZ-CB 3.82Å |
| 140 | A | 95.4 | Very high | 83.8 | Confident | 46 Ų | 46 | 81 Ų | 81 | 38% | 0.38 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 146.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | N121 S124 | N121-A140 PolarHBondContact N-O 3.14Å; S124-A140 PolarHBondContact OG-N 2.97Å; S124-A140 PolarHBondContact OG-O 2.71Å |
| 141 | K | 93.8 | Very high | 83.6 | Confident | 43 Ų | 43 | 89.3 Ų | 89.3 | 19% | 0.187 | 48% | 0.478 | C | S | . | . | B | Isolated β-bridge | trans | -89.9 | 132.5 | 168.1 | -66.8 | -175.2 | -178.1 | 173.2 | 0 | 110 | N62 D63 K65 G119 I120 G143 | N62-K141 WeakPolarHBondContact OD1-CE 3.36Å; N62-K141 PolarHBondContact OD1-NZ 3.35Å; D63-K141 VanDerWaalsContact O-CD 3.28Å; D63-K141 WeakPolarHBondContact O-CD 3.4Å; D63-K141 WeakPolarHBondContact O-CE 2.91Å; D63-K141 PolarHBondContact O-NZ 2.86Å; K65-K141 PolarHBondContact O-N 3.01Å; G119-K141 CarbonylContact O-C 3.57Å; G119-K141 VanDerWaalsContact O-CA 3.29Å; G119-K141 WeakPolarHBondContact O-CA 3.32Å; I120-K141 HydrophobicContact CG1-CG 4.25Å; K141-G143 PolarHBondContact O-N 3Å |
| 142 | V | 86.1 | Confident | 83.5 | Confident | 89 Ų | 89 | 91.3 Ų | 91.3 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 121.8 | 166.1 | -172.3 | 0 | 0 | 0 | 0 | 107 | G119 N121 | G119-V142 PolarHBondContact O-N 3.27Å; N121-V142 HydrophobicContact CB-CG2 3.7Å |
| 143 | G | 71.2 | Confident | 83.4 | Confident | 66 Ų | 66 | 91.3 Ų | 91.3 | 68% | 0.68 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -51.4 | 141.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K141 L145 | K141-G143 PolarHBondContact O-N 3Å; G143-L145 PolarHBondContact O-N 3.12Å |
| 144 | R | 59.8 | Low | 83.3 | Confident | 230 Ų | 230 | 98.2 Ų | 98.2 | 87% | 0.868 | 52% | 0.519 | S | S | * | . | trans | 20.9 | 84.5 | 178.3 | -65.7 | -169.3 | -167 | -170.3 | 4.6 | 114.9 | H146 | R144-H146 PolarHBondContact O-CD2 3.17Å; R144-H146 PolarHBondContact O-N 2.94Å | ||
| 145 | L | 58.5 | Low | 83.3 | Confident | 104 Ų | 104 | 104.6 Ų | 104.6 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | trans | -51.6 | 115.8 | 141.8 | -81.7 | 168.3 | 0 | 0 | 0 | 106.3 | K118 G143 S147 | K118-L145 HydrophobicContact CB-CD1 3.47Å; K118-L145 VanDerWaalsContact CB-CD1 3.47Å; G143-L145 PolarHBondContact O-N 3.12Å; L145-S147 PolarHBondContact O-N 2.86Å | ||
| 146 | H | 57.1 | Low | 83 | Confident | 176 Ų | 176 | 114.7 Ų | 114.7 | 82% | 0.815 | 58% | 0.582 | S | S | * | * | trans | -53.5 | 104.3 | -171.6 | -67.4 | -133.1 | 0 | 0 | 0 | 108.9 | R144 V148 | R144-H146 PolarHBondContact O-CD2 3.17Å; R144-H146 PolarHBondContact O-N 2.94Å; H146-V148 VanDerWaalsContact C-N 3.29Å; H146-V148 PolarHBondContact O-N 3.44Å | ||
| 147 | S | 63.2 | Low | 82.4 | Confident | 124 Ų | 124 | 119.3 Ų | 119.3 | 87% | 0.867 | 61% | 0.613 | S | S | * | * | trans | -72.6 | 90.9 | 173.7 | -59.7 | 0 | 0 | 0 | 0 | 107.2 | L145 E149 | L145-S147 PolarHBondContact O-N 2.86Å; S147-E149 PolarHBondContact O-N 2.81Å; S147-E149 VanDerWaalsContact O-N 3.17Å | ||
| 148 | V | 70.7 | Confident | 81.7 | Confident | 96 Ų | 96 | 129.1 Ų | 129.1 | 58% | 0.582 | 66% | 0.655 | S | S | * | * | trans | -68.8 | 110.8 | 169.3 | -177.9 | 0 | 0 | 0 | 0 | 106.6 | H146 H150 | H146-V148 VanDerWaalsContact C-N 3.29Å; H146-V148 PolarHBondContact O-N 3.44Å; V148-H150 PolarHBondContact O-CD2 2.99Å; V148-H150 VanDerWaalsContact O-CD2 3.28Å; V148-H150 PolarHBondContact O-N 3.08Å | ||
| 149 | E | 80.4 | Confident | 80.7 | Confident | 185 Ų | 185 | 140.2 Ų | 140.2 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | trans | -64.1 | 118.8 | 171.7 | -174.9 | -179 | 174.8 | 0 | 0 | 108.5 | S147 | S147-E149 PolarHBondContact O-N 2.81Å; S147-E149 VanDerWaalsContact O-N 3.17Å | ||
| 150 | H | 80.4 | Confident | 79.9 | Confident | 150 Ų | 150 | 147.1 Ų | 147.1 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | trans | -107.3 | 110.4 | 174.9 | -73.6 | -72 | 0 | 0 | 0 | 109.6 | V148 I152 | V148-H150 PolarHBondContact O-CD2 2.99Å; V148-H150 VanDerWaalsContact O-CD2 3.28Å; V148-H150 PolarHBondContact O-N 3.08Å; H150-I152 PolarHBondContact O-N 2.82Å | ||
| 151 | K | 88.6 | Confident | 79 | Confident | 195 Ų | 195 | 152.4 Ų | 152.4 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | trans | -72.4 | 116.5 | 173.2 | -172.9 | 174.1 | -176.8 | 175.4 | 0 | 109.8 | P153 | K151-P153 WeakPolarHBondContact O-CD 3.25Š| ||
| 152 | I | 89.4 | Confident | 78.2 | Confident | 152 Ų | 152 | 158.4 Ų | 158.4 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -90.9 | 113.1 | 176.1 | -56.5 | 173.3 | 0 | 0 | 0 | 108.6 | H150 | H150-I152 PolarHBondContact O-N 2.82Š| ||
| 153 | P | 89.5 | Confident | 77.8 | Confident | 101 Ų | 101 | 162.5 Ų | 162.5 | 66% | 0.656 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 132.9 | 179.1 | 29.7 | -33.2 | 0 | 0 | 0 | 111.4 | K151 | K151-P153 WeakPolarHBondContact O-CD 3.25Š|
| 154 | I | 89.8 | Confident | 78.2 | Confident | 155 Ų | 155 | 168.6 Ų | 168.6 | 80% | 0.795 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 116.2 | 171.5 | -58.1 | 173.1 | 0 | 0 | 0 | 108.6 | ||
| 155 | K | 92 | Very high | 79.4 | Confident | 192 Ų | 192 | 164.5 Ų | 164.5 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 125.6 | 169.6 | -66.4 | -177.3 | -178.6 | 177.8 | 0 | 109.3 | ||
| 156 | R | 88.7 | Confident | 80.9 | Confident | 221 Ų | 221 | 168.8 Ų | 168.8 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 141.9 | 169 | -64 | -179.1 | -176.5 | 170.6 | 0.9 | 109.2 | ||
| 157 | P | 85 | Confident | 82.7 | Confident | 128 Ų | 128 | 168.2 Ų | 168.2 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 142 | 174.2 | 26.6 | -32.6 | 0 | 0 | 0 | 110.3 | ||
| 158 | K | 82.1 | Confident | 84.3 | Confident | 209 Ų | 209 | 171.9 Ų | 171.9 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 133.9 | 172.9 | -68.9 | -173.3 | 177.1 | -178.6 | 0 | 108.8 | ||
| 159 | K | 75.5 | Confident | 85.6 | Confident | 279 Ų | 279 | 178.8 Ų | 178.8 | 100% | 1.213 | 84% | 0.842 | S | S | * | * | trans | -73.2 | 0 | 174.4 | -169.4 | 178.5 | -178.6 | -178.7 | 0 | 110.7 |
Retrieved 159 of 159 residues in 168.8 ms
(Link to these results)