| 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 | 51.9 | Low | 57.8 | Low | 228 Ų | 228 | 97.9 Ų | 97.9 | 100% | 1.123 | 58% | 0.58 | S | S | * | * | 0 | -26.8 | 0 | -131.8 | 171.8 | -105.2 | 0 | 0 | 114.1 | A3 | M1-A3 PolarHBondContact O-N 3.46Š| |||
| 2 | A | 49.2 | Very low | 58.6 | Low | 86 Ų | 86 | 101.1 Ų | 101.1 | 71% | 0.711 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -26.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | A4 | A2-A4 VanDerWaalsContact C-N 3.29Å; A2-A4 PolarHBondContact O-N 3.25Å |
| 3 | A | 52.9 | Low | 59.1 | Low | 67 Ų | 67 | 104.7 Ų | 104.7 | 55% | 0.554 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.5 | -22.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | M1 S7 | M1-A3 PolarHBondContact O-N 3.46Å; A3-S7 PolarHBondContact O-OG 3.21Å |
| 4 | A | 58.9 | Low | 59.5 | Low | 74 Ų | 74 | 110.2 Ų | 110.2 | 61% | 0.612 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72 | -34.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A2 S7 | A2-A4 VanDerWaalsContact C-N 3.29Å; A2-A4 PolarHBondContact O-N 3.25Å; A4-S7 PolarHBondContact O-N 3.25Å |
| 5 | I | 56.8 | Low | 60 | Low | 131 Ų | 131 | 110.9 Ų | 110.9 | 67% | 0.672 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.7 | -36.4 | -176.1 | -58.9 | 176.6 | 0 | 0 | 0 | 111.3 | S7 | I5-S7 PolarHBondContact O-N 3.37Å |
| 6 | A | 55.1 | Low | 59.9 | Low | 48 Ų | 48 | 108.1 Ų | 108.1 | 40% | 0.397 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.7 | -22.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I10 | A6-I10 WeakPolarHBondContact O-CD1 3.21Å; A6-I10 WeakPolarHBondContact O-CG1 3.37Å |
| 7 | S | 58.5 | Low | 59.9 | Low | 34 Ų | 34 | 112.2 Ų | 112.2 | 24% | 0.238 | 60% | 0.596 | C | S | . | * | H | α-helix | trans | -78.6 | -31.6 | -177.9 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | A3 A4 I5 | A3-S7 PolarHBondContact O-OG 3.21Å; A4-S7 PolarHBondContact O-N 3.25Å; I5-S7 PolarHBondContact O-N 3.37Å |
| 8 | G | 62.3 | Low | 59.8 | Low | 41 Ų | 41 | 113.6 Ų | 113.6 | 42% | 0.423 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.6 | -43.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I10 R11 Q12 | G8-I10 PolarHBondContact O-N 2.99Å; G8-R11 PolarHBondContact O-N 3.49Å; G8-Q12 PolarHBondContact O-N 3.22Å |
| 9 | L | 61.9 | Low | 59.7 | Low | 119 Ų | 119 | 116.8 Ų | 116.8 | 62% | 0.623 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.7 | -25.8 | -179.9 | -94.7 | 144.7 | 0 | 0 | 0 | 113.7 | K13 | L9-K13 PolarHBondContact O-N 2.71Å |
| 10 | I | 61.3 | Low | 59.2 | Low | 68 Ų | 68 | 116.9 Ų | 116.9 | 35% | 0.349 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -75.1 | -33.2 | 178.3 | -62.9 | 168.5 | 0 | 0 | 0 | 111.4 | A6 G8 R14 | A6-I10 WeakPolarHBondContact O-CD1 3.21Å; A6-I10 WeakPolarHBondContact O-CG1 3.37Å; G8-I10 PolarHBondContact O-N 2.99Å; I10-R14 PolarHBondContact O-N 2.91Å |
| 11 | R | 67.2 | Low | 58.6 | Low | 181 Ų | 181 | 120.2 Ų | 120.2 | 68% | 0.683 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.6 | -44.9 | 177.8 | -79.6 | -176.3 | -177.5 | -118.9 | 1.6 | 111.8 | G8 K13 R14 Q15 | G8-R11 PolarHBondContact O-N 3.49Å; R11-K13 VanDerWaalsContact C-N 3.33Å; R11-K13 PolarHBondContact O-N 2.86Å; R11-R14 PolarHBondContact O-N 2.78Å; R11-Q15 WeakPolarHBondContact O-CG 3.42Å; R11-Q15 PolarHBondContact O-N 2.82Å; R11-Q15 VanDerWaalsContact O-N 3.09Å |
| 12 | Q | 66.8 | Low | 58.3 | Low | 136 Ų | 136 | 116.9 Ų | 116.9 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.8 | -39.6 | 179.1 | -77.6 | -176.3 | -28.1 | 0 | 0 | 112.4 | G8 R14 Q15 A16 | G8-Q12 PolarHBondContact O-N 3.22Å; Q12-R14 VanDerWaalsContact C-N 3.34Å; Q12-R14 PolarHBondContact O-N 3.22Å; Q12-Q15 PolarHBondContact O-N 2.76Å; Q12-A16 PolarHBondContact O-N 2.91Å; Q12-A16 VanDerWaalsContact O-N 3.09Å |
| 13 | K | 64.9 | Low | 58.1 | Low | 148 Ų | 148 | 122.4 Ų | 122.4 | 64% | 0.643 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.5 | -22.1 | -179.5 | -158 | 169.4 | -176.3 | 174.1 | 0 | 113.8 | L9 R11 | L9-K13 PolarHBondContact O-N 2.71Å; R11-K13 VanDerWaalsContact C-N 3.33Å; R11-K13 PolarHBondContact O-N 2.86Å |
| 14 | R | 65.2 | Low | 57.8 | Low | 182 Ų | 182 | 124.7 Ų | 124.7 | 69% | 0.687 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -78.2 | -44.2 | 170.9 | -86.6 | -174.5 | 175.2 | -170.8 | -4 | 111.9 | I10 R11 Q12 A16 R17 E18 | I10-R14 PolarHBondContact O-N 2.91Å; R11-R14 PolarHBondContact O-N 2.78Å; Q12-R14 VanDerWaalsContact C-N 3.34Å; Q12-R14 PolarHBondContact O-N 3.22Å; R14-A16 VanDerWaalsContact C-N 3.31Å; R14-A16 PolarHBondContact O-N 3.13Å; R14-R17 PolarHBondContact O-N 2.91Å; R14-E18 PolarHBondContact O-N 2.79Å; R14-E18 VanDerWaalsContact O-N 3.11Å |
| 15 | Q | 67.6 | Low | 57 | Low | 120 Ų | 120 | 126.7 Ų | 126.7 | 56% | 0.561 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62 | -37.9 | 177.9 | -71.5 | 175.5 | -29.5 | 0 | 0 | 112.3 | R11 Q12 R17 E18 Q19 | R11-Q15 WeakPolarHBondContact O-CG 3.42Å; R11-Q15 PolarHBondContact O-N 2.82Å; R11-Q15 VanDerWaalsContact O-N 3.09Å; Q12-Q15 PolarHBondContact O-N 2.76Å; Q15-R17 PolarHBondContact O-N 2.8Å; Q15-E18 PolarHBondContact O-N 3.49Å; Q15-Q19 PolarHBondContact O-N 3.25Å |
| 16 | A | 58.5 | Low | 56.6 | Low | 67 Ų | 67 | 124.9 Ų | 124.9 | 55% | 0.554 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.6 | -20.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q12 R14 | Q12-A16 PolarHBondContact O-N 2.91Å; Q12-A16 VanDerWaalsContact O-N 3.09Å; R14-A16 VanDerWaalsContact C-N 3.31Å; R14-A16 PolarHBondContact O-N 3.13Å |
| 17 | R | 58.7 | Low | 56.1 | Low | 177 Ų | 177 | 127.6 Ų | 127.6 | 67% | 0.668 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -92.4 | -27.2 | 179.2 | -152.3 | 177.7 | -173 | -127.4 | 1.9 | 112.3 | R14 Q15 | R14-R17 PolarHBondContact O-N 2.91Å; Q15-R17 PolarHBondContact O-N 2.8Å |
| 18 | E | 58.8 | Low | 55.6 | Low | 138 Ų | 138 | 136.4 Ų | 136.4 | 65% | 0.645 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -75.1 | -29.7 | 174.8 | -72 | 177.3 | -176.6 | 0 | 0 | 112 | R14 Q15 H20 | R14-E18 PolarHBondContact O-N 2.79Å; R14-E18 VanDerWaalsContact O-N 3.11Å; Q15-E18 PolarHBondContact O-N 3.49Å; E18-H20 PolarHBondContact O-N 3.01Å |
| 19 | Q | 57.6 | Low | 54.6 | Low | 174 Ų | 174 | 146.4 Ų | 146.4 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -7.6 | 174.3 | -71.8 | -172.2 | -8.5 | 0 | 0 | 115 | Q15 | Q15-Q19 PolarHBondContact O-N 3.25Š|
| 20 | H | 50.4 | Low | 54 | Low | 118 Ų | 118 | 152 Ų | 152 | 55% | 0.546 | 71% | 0.706 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.9 | 9.4 | -176.6 | -164.2 | -86.6 | 0 | 0 | 0 | 113.5 | E18 | E18-H20 PolarHBondContact O-N 3.01Š|
| 21 | W | 46 | Very low | 53.2 | Low | 188 Ų | 188 | 154.2 Ų | 154.2 | 71% | 0.712 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -85.1 | -8.1 | -179.5 | -85.6 | 136.6 | 0 | 0 | 0 | 116.1 | R23 | W21-R23 PolarHBondContact O-N 3.32Š|
| 22 | D | 44.8 | Very low | 52.2 | Low | 158 Ų | 158 | 151.2 Ų | 151.2 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | trans | -100.4 | 40.9 | 178.7 | -66.3 | -43.6 | 0 | 0 | 0 | 113.8 | ||||
| 23 | R | 46.9 | Very low | 52 | Low | 201 Ų | 201 | 151 Ų | 151 | 76% | 0.758 | 75% | 0.745 | S | S | * | * | trans | -114.5 | 106.5 | 173 | -134.9 | 175.8 | -171.2 | 173.4 | 2.6 | 111.7 | W21 S25 | W21-R23 PolarHBondContact O-N 3.32Å; R23-S25 PolarHBondContact O-N 2.84Å | ||
| 24 | P | 44.7 | Very low | 51 | Low | 116 Ų | 116 | 149 Ų | 149 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | trans | -66 | 136.1 | 177.5 | 25.7 | -31.2 | 0 | 0 | 0 | 110.6 | A26 | P24-A26 PolarHBondContact O-N 2.88Å; P24-A26 VanDerWaalsContact O-N 3.11Å | ||
| 25 | S | 42.6 | Very low | 50.4 | Low | 115 Ų | 115 | 149.3 Ų | 149.3 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -56 | 108.9 | 174.9 | 144.3 | 0 | 0 | 0 | 0 | 110.7 | R23 S27 | R23-S25 PolarHBondContact O-N 2.84Å; S25-S27 VanDerWaalsContact C-N 3.32Å; S25-S27 PolarHBondContact O-N 3.08Å | ||
| 26 | A | 48.7 | Very low | 49.5 | Very low | 93 Ų | 93 | 150.5 Ų | 150.5 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -76.2 | 84.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P24 R28 | P24-A26 PolarHBondContact O-N 2.88Å; P24-A26 VanDerWaalsContact O-N 3.11Å; A26-R28 PolarHBondContact O-N 2.87Å; A26-R28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | S | 44.2 | Very low | 48.8 | Very low | 105 Ų | 105 | 158.9 Ų | 158.9 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -66.5 | 94.5 | 156.6 | 158.2 | 0 | 0 | 0 | 0 | 108.5 | S25 | S25-S27 VanDerWaalsContact C-N 3.32Å; S25-S27 PolarHBondContact O-N 3.08Å | ||
| 28 | R | 47.6 | Very low | 48 | Very low | 220 Ų | 220 | 153.7 Ų | 153.7 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -132.1 | 91.8 | 158.9 | -72.1 | -167.6 | -154.8 | -176.3 | 8.2 | 109.8 | A26 R30 | A26-R28 PolarHBondContact O-N 2.87Å; A26-R28 VanDerWaalsContact O-N 3.08Å; R28-R30 PolarHBondContact O-N 3.29Å; R28-R30 VanDerWaalsContact O-N 3.13Å | ||
| 29 | R | 43.3 | Very low | 47.3 | Very low | 251 Ų | 251 | 155.6 Ų | 155.6 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | trans | -59.8 | 107.1 | 154.2 | -70.5 | -176 | -173.6 | -178.8 | 2.5 | 107 | ||||
| 30 | R | 48.2 | Very low | 46.7 | Very low | 237 Ų | 237 | 153.2 Ų | 153.2 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | trans | -83.9 | 115.8 | 167.8 | -93 | -178.4 | 168.8 | 176.6 | -3.3 | 108.2 | R28 | R28-R30 PolarHBondContact O-N 3.29Å; R28-R30 VanDerWaalsContact O-N 3.13Å | ||
| 31 | S | 45.6 | Very low | 46.2 | Very low | 114 Ų | 114 | 156 Ų | 156 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 132.2 | 168.4 | 49.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 32 | S | 46.3 | Very low | 46.3 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 138.4 | 177 | -40.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 33 | P | 62.1 | Low | 46 | Very low | 132 Ų | 132 | 150.4 Ų | 150.4 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 130.6 | 173.7 | -9 | 25.8 | 0 | 0 | 0 | 112.1 | ||
| 34 | S | 44 | Very low | 46 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 150 | 167.2 | 68.2 | 0 | 0 | 0 | 0 | 112 | ||
| 35 | K | 51.2 | Low | 46.4 | Very low | 188 Ų | 188 | 148.3 Ų | 148.3 | 82% | 0.817 | 82% | 0.819 | S | S | * | * | trans | 124.8 | 133.3 | 167.6 | -75.9 | 168.9 | 177 | 178.6 | 0 | 108.7 | ||||
| 36 | N | 49.5 | Very low | 46.8 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 78% | 0.775 | 81% | 0.814 | S | S | * | * | cis | -162.3 | 164.3 | 18.3 | -115.9 | -16.6 | 0 | 0 | 0 | 110.6 | ||||
| 37 | R | 44.7 | Very low | 47.1 | Very low | 244 Ų | 244 | 150.7 Ų | 150.7 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -47.8 | 149.7 | 179.8 | -63.7 | 165.4 | -178.9 | 176.5 | -0.1 | 117.3 | ||||
| 38 | G | 41.7 | Very low | 47.4 | Very low | 67 Ų | 67 | 155.5 Ų | 155.5 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | trans | 168.2 | 86.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 39 | L | 43.2 | Very low | 47.6 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | 47 | 87.1 | 94.9 | -78.4 | 167 | 0 | 0 | 0 | 114.5 | |||||
| 40 | C | 44.3 | Very low | 47.9 | Very low | 123 Ų | 123 | 147.8 Ų | 147.8 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | trans | -160.2 | 111.5 | 132.9 | 49.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 41 | N | 41.3 | Very low | 48.1 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 95% | 0.947 | 80% | 0.802 | S | S | * | * | trans | -70.2 | 130.7 | 160.4 | -75.9 | -25.4 | 0 | 0 | 0 | 107.6 | ||||
| 42 | G | 47.9 | Very low | 48.6 | Very low | 68 Ų | 68 | 148.1 Ų | 148.1 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -172.1 | 103.9 | 174 | 0 | 0 | 0 | 0 | 0 | 109.7 | L44 | G42-L44 PolarHBondContact O-N 2.68Š| ||
| 43 | N | 38.2 | Very low | 49.1 | Very low | 161 Ų | 161 | 149.2 Ų | 149.2 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -49.4 | 120.9 | 170.2 | -73 | -27 | 0 | 0 | 0 | 110.3 | ||||
| 44 | L | 47.9 | Very low | 48.8 | Very low | 153 Ų | 153 | 151.9 Ų | 151.9 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | trans | -131.8 | 66.4 | 159 | -136.4 | 165.3 | 0 | 0 | 0 | 107.4 | G42 D46 | G42-L44 PolarHBondContact O-N 2.68Å; L44-D46 WeakPolarHBondContact CD2-O 3.47Å | ||
| 45 | V | 52.2 | Low | 49.1 | Very low | 119 Ų | 119 | 150.6 Ų | 150.6 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | trans | -69.7 | 144 | 145.2 | -80.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 46 | D | 50.7 | Low | 49.2 | Very low | 132 Ų | 132 | 149 Ų | 149 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | 95.9 | 137.7 | 176.4 | -62.6 | -35.7 | 0 | 0 | 0 | 118.7 | L44 | L44-D46 WeakPolarHBondContact CD2-O 3.47Š| ||
| 47 | I | 54.5 | Low | 49.5 | Very low | 127 Ų | 127 | 151.7 Ų | 151.7 | 65% | 0.651 | 81% | 0.808 | S | S | * | * | trans | 85.3 | 87.3 | 165 | -49.4 | 145.8 | 0 | 0 | 0 | 114 | ||||
| 48 | F | 51.5 | Low | 49.9 | Very low | 206 Ų | 206 | 149.1 Ų | 149.1 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | -155.8 | 98.4 | 109.5 | -92.6 | -68.1 | 0 | 0 | 0 | 110.4 | |||||
| 49 | S | 51.8 | Low | 50.4 | Low | 100 Ų | 100 | 157.3 Ų | 157.3 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | trans | -54.8 | 131.3 | 172.3 | -39.5 | 0 | 0 | 0 | 0 | 112.2 | V51 | S49-V51 PolarHBondContact O-N 3.27Š| ||
| 50 | K | 48.3 | Very low | 50.9 | Low | 209 Ų | 209 | 160.1 Ų | 160.1 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | 24.8 | 81.6 | 145.3 | -78.9 | 174.4 | 171.3 | 170.8 | 0 | 116.3 | R52 | K50-R52 PolarHBondContact O-N 3.33Š| ||
| 51 | V | 54.1 | Low | 51.6 | Low | 126 Ų | 126 | 161.8 Ų | 161.8 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -87.5 | 102.3 | 152.3 | -175.4 | 0 | 0 | 0 | 0 | 107.6 | S49 I53 | S49-V51 PolarHBondContact O-N 3.27Å; V51-I53 HydrophobicContact CG1-CG1 4.1Å; V51-I53 PolarHBondContact O-N 3.44Å | ||
| 52 | R | 55.6 | Low | 52.3 | Low | 231 Ų | 231 | 164.4 Ų | 164.4 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -68.5 | 84.9 | 169.2 | -163.9 | 178.1 | -168.6 | 173.1 | 2 | 107.2 | K50 F54 | K50-R52 PolarHBondContact O-N 3.33Å; R52-F54 PolarHBondContact O-N 3.37Å | ||
| 53 | I | 57.5 | Low | 53 | Low | 142 Ų | 142 | 172.6 Ų | 172.6 | 73% | 0.728 | 82% | 0.817 | S | S | * | * | trans | -63.5 | 109.3 | 170.9 | -64 | 177 | 0 | 0 | 0 | 106.4 | V51 G55 | V51-I53 HydrophobicContact CG1-CG1 4.1Å; V51-I53 PolarHBondContact O-N 3.44Å; I53-G55 PolarHBondContact O-N 3.4Å | ||
| 54 | F | 55.3 | Low | 54.4 | Low | 187 Ų | 187 | 173.3 Ų | 173.3 | 82% | 0.82 | 82% | 0.816 | S | S | * | * | trans | -40.7 | 130.4 | 173.2 | -84.5 | -101.2 | 0 | 0 | 0 | 110.6 | R52 L56 | R52-F54 PolarHBondContact O-N 3.37Å; F54-L56 VanDerWaalsContact C-N 3.32Å; F54-L56 PolarHBondContact O-N 2.98Å | ||
| 55 | G | 49.8 | Very low | 55.3 | Low | 79 Ų | 79 | 170.4 Ų | 170.4 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | -58.1 | 92.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I53 K57 | I53-G55 PolarHBondContact O-N 3.4Å; G55-K57 PolarHBondContact O-N 3.04Å | ||
| 56 | L | 54.2 | Low | 56.1 | Low | 154 Ų | 154 | 168.4 Ų | 168.4 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -63 | 91.7 | 153 | -78.9 | 163 | 0 | 0 | 0 | 105.9 | F54 K58 | F54-L56 VanDerWaalsContact C-N 3.32Å; F54-L56 PolarHBondContact O-N 2.98Å; L56-K58 PolarHBondContact O-N 3.11Å | ||
| 57 | K | 55.5 | Low | 57.7 | Low | 201 Ų | 201 | 168.1 Ų | 168.1 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -53.5 | 87.9 | 150 | -88.5 | -179.6 | 174.9 | 176.3 | 0 | 105.6 | G55 R59 | G55-K57 PolarHBondContact O-N 3.04Å; K57-R59 PolarHBondContact O-N 3.49Å | ||
| 58 | K | 53.2 | Low | 59.5 | Low | 190 Ų | 190 | 163.7 Ų | 163.7 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | -56.7 | 94 | 160 | -86.7 | -179.8 | 173.8 | 174.7 | 0 | 104.5 | L56 R60 | L56-K58 PolarHBondContact O-N 3.11Å; K58-R60 PolarHBondContact O-N 2.87Å | ||
| 59 | R | 51.6 | Low | 61.5 | Low | 240 Ų | 240 | 161 Ų | 161 | 91% | 0.906 | 75% | 0.75 | S | S | * | * | trans | -48.1 | 104.1 | 155.1 | -81.6 | 179.2 | 147.2 | 167.3 | -6 | 103.8 | K57 L61 | K57-R59 PolarHBondContact O-N 3.49Å; R59-L61 PolarHBondContact O-N 2.96Å | ||
| 60 | R | 52.7 | Low | 63.7 | Low | 237 Ų | 237 | 156.4 Ų | 156.4 | 89% | 0.894 | 72% | 0.719 | S | S | * | * | trans | -58.7 | 99.9 | 170.4 | -71.9 | -175.9 | -180 | -169.5 | 1.1 | 103.7 | K58 R62 | K58-R60 PolarHBondContact O-N 2.87Å; R60-R62 PolarHBondContact O-N 3.12Å | ||
| 61 | L | 60.8 | Low | 66 | Low | 159 Ų | 159 | 148.4 Ų | 148.4 | 83% | 0.832 | 69% | 0.686 | S | S | * | * | trans | -48.2 | 112.6 | 165.4 | -174 | 70 | 0 | 0 | 0 | 103.8 | R59 R63 | R59-L61 PolarHBondContact O-N 2.96Å; L61-R63 PolarHBondContact O-N 3.11Å | ||
| 62 | R | 55.9 | Low | 68.1 | Low | 231 Ų | 231 | 142.9 Ų | 142.9 | 87% | 0.872 | 65% | 0.652 | S | S | * | * | trans | -49.3 | 108.6 | 178.2 | -91.9 | -172 | 157.8 | -177 | -4.9 | 105.1 | R60 Q64 | R60-R62 PolarHBondContact O-N 3.12Å; R62-Q64 VanDerWaalsContact C-N 3.31Å; R62-Q64 PolarHBondContact O-N 2.79Å | ||
| 63 | R | 61 | Low | 70.1 | Confident | 240 Ų | 240 | 131.9 Ų | 131.9 | 91% | 0.906 | 61% | 0.611 | S | S | * | * | trans | -60.5 | 105.7 | 173 | -76.2 | -173.6 | 169.2 | 176 | -3.9 | 104 | L61 D65 | L61-R63 PolarHBondContact O-N 3.11Å; R63-D65 PolarHBondContact O-N 2.86Å | ||
| 64 | Q | 69 | Low | 72.1 | Confident | 176 Ų | 176 | 127.4 Ų | 127.4 | 82% | 0.822 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 127.6 | 170 | -74.7 | -176.6 | -25.5 | 0 | 0 | 105.7 | R62 | R62-Q64 VanDerWaalsContact C-N 3.31Å; R62-Q64 PolarHBondContact O-N 2.79Å |
| 65 | D | 67.2 | Low | 74.1 | Confident | 92 Ų | 92 | 118.5 Ų | 118.5 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 137.4 | 175.6 | -74.1 | -46 | 0 | 0 | 0 | 108.5 | R63 Q67 R207 | R63-D65 PolarHBondContact O-N 2.86Å; D65-Q67 WeakPolarHBondContact O-CG 3.29Å; D65-Q67 PolarHBondContact O-N 2.48Å; D65-R207 IonicContact OD1-NH2 4Å |
| 66 | P | 68.8 | Low | 76.4 | Confident | 78 Ų | 78 | 118.4 Ų | 118.4 | 51% | 0.506 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 117.9 | 176.3 | -23.4 | 32.2 | 0 | 0 | 0 | 109.9 | E208 | P66-E208 PolarHBondContact O-N 3.04Š|
| 67 | Q | 83.2 | Confident | 78.5 | Confident | 125 Ų | 125 | 111 Ų | 111 | 58% | 0.584 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 118.7 | 175.1 | -60.8 | -172.3 | 5.3 | 0 | 0 | 109.2 | D65 M205 Y206 | D65-Q67 WeakPolarHBondContact O-CG 3.29Å; D65-Q67 PolarHBondContact O-N 2.48Å; Q67-M205 HydrophobicContact CB-CE 3.43Å; Q67-M205 VanDerWaalsContact CB-CE 3.43Å; Q67-Y206 CarbonylContact C-O 3.54Å; Q67-Y206 WeakPolarHBondContact CA-O 3.39Å |
| 68 | L | 91.9 | Very high | 80.6 | Confident | 34 Ų | 34 | 106.8 Ų | 106.8 | 18% | 0.178 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 130.7 | 174.7 | -59.5 | 174.4 | 0 | 0 | 0 | 109.3 | G70 I107 P108 M205 Y206 E208 | L68-G70 PolarHBondContact O-N 2.79Å; L68-I107 HydrophobicContact CB-CG2 4.36Å; L68-I107 HydrophobicContact CD1-CG2 3.8Å; L68-P108 HydrophobicContact CB-CG 4.36Å; L68-P108 WeakPolarHBondContact CD1-O 3.38Å; L68-M205 WeakPolarHBondContact O-CA 3.49Å; L68-Y206 PolarHBondContact N-O 2.81Å; L68-Y206 PolarHBondContact O-N 3.42Å; L68-E208 HydrophobicContact CD1-CB 4Å; L68-E208 HydrophobicContact CD1-CG 4.12Å; L68-E208 HydrophobicContact CG-CB 4.3Å |
| 69 | K | 94.9 | Very high | 82.7 | Confident | 149 Ų | 149 | 100 Ų | 100 | 65% | 0.648 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 98.3 | 176.1 | -173.3 | 177.3 | -175.8 | 177.2 | 0 | 109.9 | P108 V203 M205 | K69-P108 VanDerWaalsContact O-CG 3.32Å; K69-P108 WeakPolarHBondContact O-CG 3.44Å; K69-V203 HydrophobicContact CD-CG1 4.25Å; K69-V203 HydrophobicContact CG-CG1 3.79Å; K69-M205 HydrophobicContact CB-CE 4.28Å; K69-M205 HydrophobicContact CB-SD 3.89Å; K69-M205 HydrophobicContact CG-SD 3.98Å |
| 70 | G | 96.5 | Very high | 84.9 | Confident | 4 Ų | 4 | 89.6 Ų | 89.6 | 4% | 0.041 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -166.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L68 L106 A204 | L68-G70 PolarHBondContact O-N 2.79Å; G70-L106 VanDerWaalsContact CA-O 3.29Å; G70-L106 WeakPolarHBondContact CA-O 3.28Å; G70-A204 PolarHBondContact N-O 3.01Å; G70-A204 PolarHBondContact O-N 2.79Å; G70-A204 VanDerWaalsContact O-N 3.1Å |
| 71 | I | 97.6 | Very high | 87.1 | Confident | 42 Ų | 42 | 80.2 Ų | 80.2 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 148.9 | 175.9 | 58.9 | 173.1 | 0 | 0 | 0 | 110.7 | T73 L106 P200 E202 V203 Y206 | I71-T73 HydrophobicContact CD1-CG2 4.18Å; I71-T73 HydrophobicContact CG1-CG2 4.31Å; I71-L106 HydrophobicContact CD1-CB 4.44Å; I71-L106 HydrophobicContact CD1-CD2 4.29Å; I71-L106 HydrophobicContact CG1-CB 3.76Å; I71-L106 HydrophobicContact CG1-CD2 4.45Å; I71-L106 PolarHBondContact N-O 2.85Å; I71-L106 PolarHBondContact O-N 2.98Å; I71-P200 HydrophobicContact CD1-CB 4.17Å; I71-P200 HydrophobicContact CD1-CG 4.03Å; I71-E202 CarbonylContact C-O 3.49Å; I71-E202 WeakPolarHBondContact CA-O 3.36Å; I71-V203 HydrophobicContact CG2-CG2 4.21Å; I71-Y206 PolarHBondContact O-OH 2.78Å |
| 72 | V | 98.1 | Very high | 88.9 | Confident | 10 Ų | 10 | 73.6 Ų | 73.6 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 126.1 | 160.3 | -178.7 | 0 | 0 | 0 | 0 | 106.6 | L103 F104 V119 L201 E202 A204 Y206 | V72-L103 HydrophobicContact CG1-CD2 4.29Å; V72-F104 WeakPolarHBondContact CA-O 3.34Å; V72-V119 HydrophobicContact CG1-CG2 4.17Å; V72-L201 HydrophobicContact CG1-CD2 4.44Å; V72-L201 PolarHBondContact O-N 3.38Å; V72-E202 HydrophobicContact CB-CG 3.9Å; V72-E202 HydrophobicContact CG2-CG 3.96Å; V72-E202 PolarHBondContact N-O 2.89Å; V72-E202 PolarHBondContact O-N 3.28Å; V72-A204 HydrophobicContact CG2-CB 4.31Å; V72-Y206 WeakPolarHBondContact CG2-OH 3.33Å |
| 73 | T | 98.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 155.8 | -171.8 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | I71 L75 F104 L106 K199 | I71-T73 HydrophobicContact CD1-CG2 4.18Å; I71-T73 HydrophobicContact CG1-CG2 4.31Å; T73-L75 HydrophobicContact CG2-CD2 4.18Å; T73-F104 PolarHBondContact N-O 3.05Å; T73-F104 PolarHBondContact O-N 2.79Å; T73-L106 HydrophobicContact CG2-CB 4.06Å; T73-L106 HydrophobicContact CG2-CD2 4.48Å; T73-K199 PolarHBondContact OG1-N 3.32Å; T73-K199 PolarHBondContact OG1-O 3.49Å; T73-K199 VanDerWaalsContact OG1-O 3.12Å |
| 74 | R | 98.1 | Very high | 92.7 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 18% | 0.181 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 146.4 | 160.9 | -62.2 | -176.9 | 176.2 | 81.9 | -7.4 | 109.5 | Y82 D97 T102 L103 P198 K199 | R74-Y82 HydrophobicContact CB-CD1 3.94Å; R74-Y82 HydrophobicContact CB-CE1 4.16Å; R74-D97 VanDerWaalsContact CZ-O 3.27Å; R74-D97 PolarHBondContact NE-O 3.3Å; R74-D97 PolarHBondContact NH2-O 3Å; R74-T102 PolarHBondContact NE-OG1 3.42Å; R74-L103 HydrophobicContact CG-CD2 3.93Å; R74-P198 CarbonylContact O-C 3.56Å; R74-P198 WeakPolarHBondContact O-CA 3.45Å; R74-K199 HydrophobicContact CB-CB 4.38Å; R74-K199 PolarHBondContact N-O 2.79Å; R74-K199 PolarHBondContact O-N 3.47Å |
| 75 | L | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 101.3 | 176.2 | -64.8 | 178.1 | 0 | 0 | 0 | 109.5 | T73 L83 I116 Y157 F196 P198 | T73-L75 HydrophobicContact CG2-CD2 4.18Å; L75-L83 HydrophobicContact CB-CB 4.07Å; L75-L83 HydrophobicContact CB-CD2 4.45Å; L75-L83 HydrophobicContact CD1-CD2 3.93Å; L75-L83 PolarHBondContact O-N 3.49Å; L75-I116 HydrophobicContact CD1-CD1 4.42Å; L75-I116 HydrophobicContact CD1-CG2 4.22Å; L75-Y157 HydrophobicContact CD1-CE2 4.22Å; L75-Y157 HydrophobicContact CD2-CE2 4.09Å; L75-Y157 WeakPolarHBondContact CD2-OH 3.47Å; L75-F196 HydrophobicContact CB-CD1 4Å; L75-P198 HydrophobicContact CD2-CB 4.17Å; L75-P198 HydrophobicContact CD2-CG 4.15Å |
| 76 | Y | 98.4 | Very high | 95.5 | Very high | 76 Ų | 76 | 42 Ų | 42 | 30% | 0.298 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 112.6 | 178.5 | -177.7 | -104.8 | 0 | 0 | 0 | 110.7 | G80 Y82 F196 L197 | Y76-G80 WeakPolarHBondContact OH-CA 3.31Å; Y76-Y82 AromaticContact CD2-CD1 3.91Å; Y76-Y82 HydrophobicContact CD2-CD1 3.91Å; Y76-Y82 HydrophobicContact CD2-CD2 4.13Å; Y76-Y82 AromaticContact CD2-CE1 3.85Å; Y76-Y82 HydrophobicContact CD2-CE1 3.85Å; Y76-Y82 HydrophobicContact CD2-CE2 4.06Å; Y76-Y82 HydrophobicContact CD2-CG 4.09Å; Y76-Y82 AromaticContact CD2-CZ 3.96Å; Y76-Y82 HydrophobicContact CE2-CE2 4.43Å; Y76-Y82 HydrophobicContact CG-CD1 4.44Å; Y76-Y82 HydrophobicContact CG-CE1 4.28Å; Y76-F196 CarbonylContact O-C 3.49Å; Y76-F196 WeakPolarHBondContact O-CA 3.36Å; Y76-L197 PolarHBondContact N-O 2.84Å; Y76-L197 PolarHBondContact O-N 3.42Å |
| 77 | C | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 139.4 | 175.1 | -171.5 | 0 | 0 | 0 | 0 | 110.7 | Q79 G80 Y81 L175 H195 F196 | C77-Q79 PolarHBondContact O-N 3.14Å; C77-G80 PolarHBondContact O-N 2.82Å; C77-Y81 WeakPolarHBondContact CB-O 3.43Å; C77-Y81 PolarHBondContact N-O 3.28Å; C77-L175 HydrophobicContact CB-CD1 3.87Å; C77-L175 HydrophobicContact CB-CG 4.4Å; C77-H195 WeakPolarHBondContact CA-O 3.36Å; C77-F196 HydrophobicContact CB-CD1 3.92Å; C77-F196 HydrophobicContact CB-CE1 3.67Å; C77-F196 HydrophobicContact CB-CZ 4.3Å |
| 78 | R | 98 | Very high | 97.3 | Very high | 111 Ų | 111 | 42.7 Ų | 42.7 | 42% | 0.419 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -21.7 | 175.2 | -175.1 | -179.7 | 175.8 | -176.7 | 5 | 113 | G80 Y154 P192 H195 | R78-G80 PolarHBondContact O-N 3.04Å; R78-Y154 HydrophobicContact CB-CE1 3.99Å; R78-Y154 VanDerWaalsContact CD-CZ 3.49Å; R78-Y154 WeakPolarHBondContact CD-OH 3.34Å; R78-Y154 HydrophobicContact CG-CE1 4Å; R78-Y154 PolarHBondContact NE-OH 2.75Å; R78-P192 HydrophobicContact CB-CB 4.37Å; R78-P192 HydrophobicContact CG-CB 4.11Å; R78-H195 HydrophobicContact CB-CB 3.77Å; R78-H195 PolarHBondContact N-O 3.01Å; R78-H195 PolarHBondContact NH1-CE1 2.89Å; R78-H195 PolarHBondContact NH1-ND1 2.67Å |
| 79 | Q | 97.8 | Very high | 97.4 | Very high | 47 Ų | 47 | 41.1 Ų | 41.1 | 22% | 0.22 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -7.8 | 175.9 | -62.3 | -73.4 | 86 | 0 | 0 | 114.1 | C77 Y81 N176 K177 P192 | C77-Q79 PolarHBondContact O-N 3.14Å; Q79-Y81 HydrophobicContact CB-CD2 4.26Å; Q79-Y81 WeakPolarHBondContact O-CE2 3.27Å; Q79-N176 WeakPolarHBondContact CB-O 3.48Å; Q79-N176 WeakPolarHBondContact CG-O 3.47Å; Q79-N176 PolarHBondContact NE2-O 3.12Å; Q79-N176 VanDerWaalsContact NE2-O 3.14Å; Q79-K177 VanDerWaalsContact NE2-CG 3.33Å; Q79-P192 VanDerWaalsContact OE1-CB 3.24Å |
| 80 | G | 98.1 | Very high | 97.5 | Very high | 22 Ų | 22 | 36 Ų | 36 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104.9 | 17.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y76 C77 R78 | Y76-G80 WeakPolarHBondContact OH-CA 3.31Å; C77-G80 PolarHBondContact O-N 2.82Å; R78-G80 PolarHBondContact O-N 3.04Å |
| 81 | Y | 98.5 | Very high | 97.6 | Very high | 41 Ų | 41 | 37 Ų | 37 | 16% | 0.161 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 142 | -173.9 | -57.5 | -91.2 | 0 | 0 | 0 | 111.2 | C77 Q79 G93 T94 K95 K177 | C77-Y81 WeakPolarHBondContact CB-O 3.43Å; C77-Y81 PolarHBondContact N-O 3.28Å; Q79-Y81 HydrophobicContact CB-CD2 4.26Å; Q79-Y81 WeakPolarHBondContact O-CE2 3.27Å; Y81-G93 WeakPolarHBondContact CD1-O 3.48Å; Y81-T94 CarbonylContact C-O 3.59Å; Y81-T94 WeakPolarHBondContact CA-O 3.39Å; Y81-K95 HydrophobicContact CD1-CG 3.99Å; Y81-K95 HydrophobicContact CE1-CG 4.02Å; Y81-K177 VanDerWaalsContact CE2-O 3.27Å; Y81-K177 WeakPolarHBondContact CE2-O 3.16Å; Y81-K177 PolarHBondContact OH-O 2.75Å; Y81-K177 VanDerWaalsContact OH-O 3.11Å |
| 82 | Y | 98.5 | Very high | 97.6 | Very high | 19 Ų | 19 | 37.3 Ų | 37.3 | 8% | 0.075 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 132.6 | 160.2 | -66.6 | -79.5 | 0 | 0 | 0 | 109.6 | R74 Y76 Q84 G93 T94 D97 K199 | R74-Y82 HydrophobicContact CB-CD1 3.94Å; R74-Y82 HydrophobicContact CB-CE1 4.16Å; Y76-Y82 AromaticContact CD2-CD1 3.91Å; Y76-Y82 HydrophobicContact CD2-CD1 3.91Å; Y76-Y82 HydrophobicContact CD2-CD2 4.13Å; Y76-Y82 AromaticContact CD2-CE1 3.85Å; Y76-Y82 HydrophobicContact CD2-CE1 3.85Å; Y76-Y82 HydrophobicContact CD2-CE2 4.06Å; Y76-Y82 HydrophobicContact CD2-CG 4.09Å; Y76-Y82 AromaticContact CD2-CZ 3.96Å; Y76-Y82 HydrophobicContact CE2-CE2 4.43Å; Y76-Y82 HydrophobicContact CG-CD1 4.44Å; Y76-Y82 HydrophobicContact CG-CE1 4.28Å; Y82-Q84 PolarHBondContact O-N 3.25Å; Y82-G93 CarbonylContact O-C 3.49Å; Y82-G93 VanDerWaalsContact O-CA 3.25Å; Y82-G93 WeakPolarHBondContact O-CA 3.45Å; Y82-T94 PolarHBondContact N-O 2.95Å; Y82-T94 PolarHBondContact O-N 2.87Å; Y82-D97 HydrophobicContact CD2-CB 3.81Å; Y82-D97 HydrophobicContact CE1-CB 4.21Å; Y82-D97 HydrophobicContact CE2-CB 3.47Å; Y82-D97 VanDerWaalsContact CE2-CB 3.47Å; Y82-D97 WeakPolarHBondContact CE2-OD2 3.35Å; Y82-D97 HydrophobicContact CG-CB 4.29Å; Y82-D97 VanDerWaalsContact CZ-OD2 3.26Å; Y82-D97 PolarHBondContact OH-OD2 3Å; Y82-K199 HydrophobicContact CE1-CD 3.96Å; Y82-K199 PolarHBondContact OH-NZ 2.81Å |
| 83 | L | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 136.9 | 167.8 | -171.6 | 68.6 | 0 | 0 | 0 | 108.8 | L75 T102 F104 I125 L173 L175 F196 | L75-L83 HydrophobicContact CB-CB 4.07Å; L75-L83 HydrophobicContact CB-CD2 4.45Å; L75-L83 HydrophobicContact CD1-CD2 3.93Å; L75-L83 PolarHBondContact O-N 3.49Å; L83-T102 WeakPolarHBondContact O-CA 2.99Å; L83-F104 HydrophobicContact CB-CE2 4.03Å; L83-F104 HydrophobicContact CB-CZ 4.39Å; L83-F104 HydrophobicContact CD2-CE1 4.36Å; L83-F104 HydrophobicContact CD2-CE2 4.01Å; L83-F104 HydrophobicContact CD2-CZ 3.86Å; L83-F104 HydrophobicContact CG-CE2 3.97Å; L83-F104 HydrophobicContact CG-CZ 3.83Å; L83-F104 WeakPolarHBondContact O-CE2 3.42Å; L83-I125 HydrophobicContact CD2-CD1 3.83Å; L83-L173 HydrophobicContact CD2-CD2 4.23Å; L83-L175 HydrophobicContact CD1-CD1 4.45Å; L83-L175 HydrophobicContact CD1-CD2 4.05Å; L83-F196 HydrophobicContact CB-CE1 4.48Å |
| 84 | Q | 97.9 | Very high | 97.6 | Very high | 22 Ų | 22 | 38.9 Ų | 38.9 | 10% | 0.103 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143.5 | 178 | 173.3 | 169.1 | -5.8 | 0 | 0 | 109.9 | Y82 H86 L91 D92 T94 S101 T102 | Y82-Q84 PolarHBondContact O-N 3.25Å; Q84-H86 PolarHBondContact NE2-CE1 2.97Å; Q84-H86 PolarHBondContact NE2-ND1 2.94Å; Q84-L91 WeakPolarHBondContact O-CA 3.41Å; Q84-L91 WeakPolarHBondContact O-CD2 3.33Å; Q84-D92 PolarHBondContact N-O 2.88Å; Q84-D92 PolarHBondContact O-N 3.5Å; Q84-T94 HydrophobicContact CB-CG2 3.98Å; Q84-S101 WeakPolarHBondContact CA-O 2.69Å; Q84-T102 HydrophobicContact CB-CG2 4.32Å |
| 85 | M | 98 | Very high | 97.5 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 120.2 | 166.3 | -173.1 | 179.8 | -74.3 | 0 | 0 | 109.2 | A90 L91 S101 F104 T121 L123 I125 | M85-A90 WeakPolarHBondContact CA-O 3.14Å; M85-L91 HydrophobicContact CB-CD2 3.86Å; M85-L91 HydrophobicContact CE-CD2 3.72Å; M85-L91 HydrophobicContact CE-CG 4.47Å; M85-L91 HydrophobicContact CG-CD2 4.06Å; M85-S101 PolarHBondContact N-O 3.15Å; M85-S101 WeakPolarHBondContact O-CB 3.38Å; M85-F104 HydrophobicContact CB-CE1 4Å; M85-F104 HydrophobicContact CB-CZ 4.06Å; M85-F104 HydrophobicContact CE-CE1 4.23Å; M85-T121 HydrophobicContact CG-CG2 4.36Å; M85-T121 HydrophobicContact SD-CG2 4.31Å; M85-T121 PolarHBondContact SD-OG1 2.87Å; M85-L123 HydrophobicContact CE-CB 4.44Å; M85-L123 HydrophobicContact SD-CB 3.81Å; M85-I125 HydrophobicContact CE-CD1 4.32Å; M85-I125 HydrophobicContact CE-CG1 3.53Å |
| 86 | H | 96.9 | Very high | 97.3 | Very high | 51 Ų | 51 | 47.3 Ų | 47.3 | 24% | 0.236 | 24% | 0.244 | C | C | . | . | trans | -76.3 | 161.6 | 177.2 | -69.3 | -71 | 0 | 0 | 0 | 111.3 | Q84 D88 G89 A90 D92 T121 | Q84-H86 PolarHBondContact NE2-CE1 2.97Å; Q84-H86 PolarHBondContact NE2-ND1 2.94Å; H86-D88 WeakPolarHBondContact CB-OD1 3.14Å; H86-D88 PolarHBondContact O-N 3.34Å; H86-G89 WeakPolarHBondContact O-CA 3.5Å; H86-G89 PolarHBondContact O-N 3.5Å; H86-A90 HydrophobicContact CB-CB 4.28Å; H86-A90 PolarHBondContact N-O 3.42Å; H86-D92 IonicContact CD2-OD1 3.57Å; H86-D92 IonicContact CD2-OD2 3.75Å; H86-D92 IonicContact CE1-OD1 3.9Å; H86-D92 IonicContact CE1-OD2 3.79Å; H86-D92 IonicContact NE2-OD1 2.95Å; H86-D92 PolarHBondContact NE2-OD1 2.71Å; H86-D92 IonicContact NE2-OD2 2.82Å; H86-D92 PolarHBondContact NE2-OD2 3.21Å; H86-T121 WeakPolarHBondContact O-CG2 3.41Å | ||
| 87 | P | 95.8 | Very high | 97 | Very high | 92 Ų | 92 | 46.9 Ų | 46.9 | 60% | 0.597 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.2 | 178.2 | -25.9 | 36.1 | 0 | 0 | 0 | 115 | G89 | P87-G89 PolarHBondContact O-N 2.82Š|
| 88 | D | 95 | Very high | 96.6 | Very high | 125 Ų | 125 | 50.9 Ų | 50.9 | 67% | 0.668 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -3.7 | 173.6 | 65.1 | -10.2 | 0 | 0 | 0 | 113.2 | H86 A90 | H86-D88 WeakPolarHBondContact CB-OD1 3.14Å; H86-D88 PolarHBondContact O-N 3.34Å; D88-A90 VanDerWaalsContact OD1-CB 3.29Å; D88-A90 WeakPolarHBondContact OD1-CB 3.48Å; D88-A90 PolarHBondContact OD1-N 2.91Å |
| 89 | G | 94.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | trans | 85.9 | 0.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | H86 P87 P135 | H86-G89 WeakPolarHBondContact O-CA 3.5Å; H86-G89 PolarHBondContact O-N 3.5Å; P87-G89 PolarHBondContact O-N 2.82Å; G89-P135 WeakPolarHBondContact O-CB 3.26Å; G89-P135 WeakPolarHBondContact O-CG 3.34Å | ||
| 90 | A | 96.6 | Very high | 96.1 | Very high | 42 Ų | 42 | 50.3 Ų | 50.3 | 35% | 0.347 | 28% | 0.284 | S | S | . | . | trans | -63.4 | 142.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | M85 H86 D88 | M85-A90 WeakPolarHBondContact CA-O 3.14Å; H86-A90 HydrophobicContact CB-CB 4.28Å; H86-A90 PolarHBondContact N-O 3.42Å; D88-A90 VanDerWaalsContact OD1-CB 3.29Å; D88-A90 WeakPolarHBondContact OD1-CB 3.48Å; D88-A90 PolarHBondContact OD1-N 2.91Å | ||
| 91 | L | 97.4 | Very high | 96 | Very high | 23 Ų | 23 | 49.8 Ų | 49.8 | 12% | 0.12 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125.5 | -178.3 | -72.2 | 171.6 | 0 | 0 | 0 | 111 | Q84 M85 I125 L133 A181 | Q84-L91 WeakPolarHBondContact O-CA 3.41Å; Q84-L91 WeakPolarHBondContact O-CD2 3.33Å; M85-L91 HydrophobicContact CB-CD2 3.86Å; M85-L91 HydrophobicContact CE-CD2 3.72Å; M85-L91 HydrophobicContact CE-CG 4.47Å; M85-L91 HydrophobicContact CG-CD2 4.06Å; L91-I125 HydrophobicContact CD1-CB 4.39Å; L91-I125 HydrophobicContact CD1-CD1 4.06Å; L91-I125 HydrophobicContact CD1-CG1 3.95Å; L91-I125 HydrophobicContact CD1-CG2 3.8Å; L91-I125 HydrophobicContact CD2-CD1 3.84Å; L91-I125 HydrophobicContact CD2-CG1 4.11Å; L91-L133 HydrophobicContact CD1-CB 4.23Å; L91-A181 HydrophobicContact CB-CB 4.29Å; L91-A181 VanDerWaalsContact O-CB 3.3Å; L91-A181 WeakPolarHBondContact O-CB 3.39Å |
| 92 | D | 97.7 | Very high | 96 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 27% | 0.267 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | -162 | 174.5 | 67.3 | -0.3 | 0 | 0 | 0 | 110.7 | Q84 H86 G179 | Q84-D92 PolarHBondContact N-O 2.88Å; Q84-D92 PolarHBondContact O-N 3.5Å; H86-D92 IonicContact CD2-OD1 3.57Å; H86-D92 IonicContact CD2-OD2 3.75Å; H86-D92 IonicContact CE1-OD1 3.9Å; H86-D92 IonicContact CE1-OD2 3.79Å; H86-D92 IonicContact NE2-OD1 2.95Å; H86-D92 PolarHBondContact NE2-OD1 2.71Å; H86-D92 IonicContact NE2-OD2 2.82Å; H86-D92 PolarHBondContact NE2-OD2 3.21Å; D92-G179 CarbonylContact C-O 3.53Å |
| 93 | G | 98 | Very high | 95.9 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 13% | 0.134 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110 | Y81 Y82 G179 | Y81-G93 WeakPolarHBondContact CD1-O 3.48Å; Y82-G93 CarbonylContact O-C 3.49Å; Y82-G93 VanDerWaalsContact O-CA 3.25Å; Y82-G93 WeakPolarHBondContact O-CA 3.45Å; G93-G179 VanDerWaalsContact CA-O 3.29Å; G93-G179 WeakPolarHBondContact CA-O 3.47Å; G93-G179 PolarHBondContact N-O 3.43Å |
| 94 | T | 98 | Very high | 95.9 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 154.9 | 175.9 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | Y81 Y82 Q84 D96 T102 | Y81-T94 CarbonylContact C-O 3.59Å; Y81-T94 WeakPolarHBondContact CA-O 3.39Å; Y82-T94 PolarHBondContact N-O 2.95Å; Y82-T94 PolarHBondContact O-N 2.87Å; Q84-T94 HydrophobicContact CB-CG2 3.98Å; T94-D96 WeakPolarHBondContact CG2-O 3.4Å; T94-D96 PolarHBondContact OG1-N 3.13Å; T94-D96 VanDerWaalsContact OG1-N 3.14Å; T94-T102 HydrophobicContact CG2-CG2 3.5Å; T94-T102 VanDerWaalsContact CG2-CG2 3.5Å |
| 95 | K | 96.8 | Very high | 96 | Very high | 156 Ų | 156 | 47.5 Ų | 47.5 | 68% | 0.678 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -86.1 | -14.1 | 170.1 | -66.3 | -177.8 | -179.7 | 176.4 | 0 | 112.5 | Y81 | Y81-K95 HydrophobicContact CD1-CG 3.99Å; Y81-K95 HydrophobicContact CE1-CG 4.02Å |
| 96 | D | 95 | Very high | 96 | Very high | 70 Ų | 70 | 47.9 Ų | 47.9 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | trans | -93.1 | 118.7 | -176.9 | 178.6 | 18.9 | 0 | 0 | 0 | 111.3 | T94 S98 T102 | T94-D96 WeakPolarHBondContact CG2-O 3.4Å; T94-D96 PolarHBondContact OG1-N 3.13Å; T94-D96 VanDerWaalsContact OG1-N 3.14Å; D96-S98 WeakPolarHBondContact OD1-CB 3.31Å; D96-S98 PolarHBondContact OD1-N 3.17Å; D96-S98 PolarHBondContact OD1-OG 3.04Å; D96-S98 PolarHBondContact OD2-OG 2.88Å; D96-T102 WeakPolarHBondContact O-CG2 3.29Å | ||
| 97 | D | 91.5 | Very high | 96 | Very high | 66 Ų | 66 | 45.6 Ų | 45.6 | 35% | 0.353 | 26% | 0.261 | S | S | . | . | trans | -97 | 0.8 | 175.5 | 54.1 | 12.9 | 0 | 0 | 0 | 114.4 | R74 Y82 T99 | R74-D97 VanDerWaalsContact CZ-O 3.27Å; R74-D97 PolarHBondContact NE-O 3.3Å; R74-D97 PolarHBondContact NH2-O 3Å; Y82-D97 HydrophobicContact CD2-CB 3.81Å; Y82-D97 HydrophobicContact CE1-CB 4.21Å; Y82-D97 HydrophobicContact CE2-CB 3.47Å; Y82-D97 VanDerWaalsContact CE2-CB 3.47Å; Y82-D97 WeakPolarHBondContact CE2-OD2 3.35Å; Y82-D97 HydrophobicContact CG-CB 4.29Å; Y82-D97 VanDerWaalsContact CZ-OD2 3.26Å; Y82-D97 PolarHBondContact OH-OD2 3Å; D97-T99 VanDerWaalsContact C-N 3.26Å; D97-T99 PolarHBondContact O-N 2.83Å | ||
| 98 | S | 89.8 | Confident | 96.1 | Very high | 85 Ų | 85 | 43.4 Ų | 43.4 | 59% | 0.594 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -69.2 | -26.5 | -179.3 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | D96 | D96-S98 WeakPolarHBondContact OD1-CB 3.31Å; D96-S98 PolarHBondContact OD1-N 3.17Å; D96-S98 PolarHBondContact OD1-OG 3.04Å; D96-S98 PolarHBondContact OD2-OG 2.88Å |
| 99 | T | 90.2 | Very high | 96.2 | Very high | 45 Ų | 45 | 38.6 Ų | 38.6 | 28% | 0.276 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -84.4 | 141.9 | -175.8 | 69.3 | 0 | 0 | 0 | 0 | 113.1 | D97 S101 T102 | D97-T99 VanDerWaalsContact C-N 3.26Å; D97-T99 PolarHBondContact O-N 2.83Å; T99-S101 PolarHBondContact O-N 3.4Å; T99-S101 VanDerWaalsContact O-N 3.11Å; T99-T102 PolarHBondContact O-N 2.77Å; T99-T102 PolarHBondContact O-OG1 3.43Å |
| 100 | N | 94.2 | Very high | 96.2 | Very high | 100 Ų | 100 | 40.5 Ų | 40.5 | 54% | 0.535 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -64.8 | -11.2 | 173.4 | -69.9 | -19.1 | 0 | 0 | 0 | 113.6 | T102 L103 | N100-T102 PolarHBondContact O-N 3.35Å; N100-L103 HydrophobicContact CB-CD1 4.22Å; N100-L103 PolarHBondContact O-N 2.96Å; N100-L103 WeakPolarHBondContact OD1-CD1 3.36Å |
| 101 | S | 96.8 | Very high | 96.2 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -67 | -17.3 | 175.2 | -50.5 | 0 | 0 | 0 | 0 | 112.7 | Q84 M85 T99 | Q84-S101 WeakPolarHBondContact CA-O 2.69Å; M85-S101 PolarHBondContact N-O 3.15Å; M85-S101 WeakPolarHBondContact O-CB 3.38Å; T99-S101 PolarHBondContact O-N 3.4Å; T99-S101 VanDerWaalsContact O-N 3.11Å |
| 102 | T | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -91.9 | -3.7 | 176.3 | 64.1 | 0 | 0 | 0 | 0 | 114 | R74 L83 Q84 T94 D96 T99 N100 F104 | R74-T102 PolarHBondContact NE-OG1 3.42Å; L83-T102 WeakPolarHBondContact O-CA 2.99Å; Q84-T102 HydrophobicContact CB-CG2 4.32Å; T94-T102 HydrophobicContact CG2-CG2 3.5Å; T94-T102 VanDerWaalsContact CG2-CG2 3.5Å; D96-T102 WeakPolarHBondContact O-CG2 3.29Å; T99-T102 PolarHBondContact O-N 2.77Å; T99-T102 PolarHBondContact O-OG1 3.43Å; N100-T102 PolarHBondContact O-N 3.35Å; T102-F104 VanDerWaalsContact O-CD2 3.32Å; T102-F104 WeakPolarHBondContact O-CD2 3.42Å |
| 103 | L | 98 | Very high | 96.2 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 129.8 | -179.1 | -65.2 | 175.3 | 0 | 0 | 0 | 110.9 | V72 R74 N100 V119 L201 | V72-L103 HydrophobicContact CG1-CD2 4.29Å; R74-L103 HydrophobicContact CG-CD2 3.93Å; N100-L103 HydrophobicContact CB-CD1 4.22Å; N100-L103 PolarHBondContact O-N 2.96Å; N100-L103 WeakPolarHBondContact OD1-CD1 3.36Å; L103-V119 HydrophobicContact CB-CB 3.9Å; L103-V119 HydrophobicContact CB-CG2 3.76Å; L103-V119 WeakPolarHBondContact O-CG2 3.48Å; L103-V119 PolarHBondContact O-N 2.91Å; L103-L201 HydrophobicContact CD2-CD2 4.17Å |
| 104 | F | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 140.6 | 177.1 | -64.1 | -88.8 | 0 | 0 | 0 | 111.8 | V72 T73 L83 M85 T102 I116 Q117 I125 | V72-F104 WeakPolarHBondContact CA-O 3.34Å; T73-F104 PolarHBondContact N-O 3.05Å; T73-F104 PolarHBondContact O-N 2.79Å; L83-F104 HydrophobicContact CB-CE2 4.03Å; L83-F104 HydrophobicContact CB-CZ 4.39Å; L83-F104 HydrophobicContact CD2-CE1 4.36Å; L83-F104 HydrophobicContact CD2-CE2 4.01Å; L83-F104 HydrophobicContact CD2-CZ 3.86Å; L83-F104 HydrophobicContact CG-CE2 3.97Å; L83-F104 HydrophobicContact CG-CZ 3.83Å; L83-F104 WeakPolarHBondContact O-CE2 3.42Å; M85-F104 HydrophobicContact CB-CE1 4Å; M85-F104 HydrophobicContact CB-CZ 4.06Å; M85-F104 HydrophobicContact CE-CE1 4.23Å; T102-F104 VanDerWaalsContact O-CD2 3.32Å; T102-F104 WeakPolarHBondContact O-CD2 3.42Å; F104-I116 HydrophobicContact CB-CG2 4.05Å; F104-I116 HydrophobicContact CD1-CG2 3.72Å; F104-I116 HydrophobicContact CG-CG2 4.04Å; F104-Q117 CarbonylContact C-O 3.54Å; F104-Q117 WeakPolarHBondContact CA-O 3.4Å; F104-I125 HydrophobicContact CD1-CD1 4.39Å; F104-I125 HydrophobicContact CE1-CD1 3.9Å |
| 105 | N | 98.3 | Very high | 96.2 | Very high | 20 Ų | 20 | 45.8 Ų | 45.8 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 117.6 | 162.6 | -58.7 | -35.5 | 0 | 0 | 0 | 108 | I107 Q117 V119 Y206 | N105-I107 HydrophobicContact CB-CD1 4.15Å; N105-I107 HydrophobicContact CB-CG1 3.96Å; N105-Q117 HydrophobicContact CB-CB 4.22Å; N105-Q117 PolarHBondContact N-O 2.98Å; N105-Q117 PolarHBondContact ND2-OE1 3.48Å; N105-Q117 PolarHBondContact O-N 3.37Å; N105-V119 WeakPolarHBondContact OD1-CG2 3.3Å; N105-Y206 HydrophobicContact CB-CE1 3.69Å; N105-Y206 WeakPolarHBondContact CB-OH 3.39Å; N105-Y206 VanDerWaalsContact CG-CE1 3.48Å; N105-Y206 PolarHBondContact OD1-OH 3.02Å |
| 106 | L | 98.2 | Very high | 96.3 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 97.9 | 171.7 | -146.4 | 75 | 0 | 0 | 0 | 108.3 | G70 I71 T73 V114 I116 Y157 | G70-L106 VanDerWaalsContact CA-O 3.29Å; G70-L106 WeakPolarHBondContact CA-O 3.28Å; I71-L106 HydrophobicContact CD1-CB 4.44Å; I71-L106 HydrophobicContact CD1-CD2 4.29Å; I71-L106 HydrophobicContact CG1-CB 3.76Å; I71-L106 HydrophobicContact CG1-CD2 4.45Å; I71-L106 PolarHBondContact N-O 2.85Å; I71-L106 PolarHBondContact O-N 2.98Å; T73-L106 HydrophobicContact CG2-CB 4.06Å; T73-L106 HydrophobicContact CG2-CD2 4.48Å; L106-V114 HydrophobicContact CD1-CG2 4.31Å; L106-V114 HydrophobicContact CG-CB 4.26Å; L106-V114 HydrophobicContact CG-CG1 4.29Å; L106-V114 HydrophobicContact CG-CG2 4.41Å; L106-I116 HydrophobicContact CD1-CB 4.45Å; L106-I116 HydrophobicContact CD1-CD1 4.35Å; L106-I116 HydrophobicContact CD1-CG1 3.81Å; L106-I116 HydrophobicContact CD1-CG2 4.3Å; L106-Y157 HydrophobicContact CD1-CE1 4.43Å |
| 107 | I | 97.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 119 | -169.6 | -52.7 | 173.4 | 0 | 0 | 0 | 109 | L68 N105 V109 V114 A115 Y124 Y206 P209 | L68-I107 HydrophobicContact CB-CG2 4.36Å; L68-I107 HydrophobicContact CD1-CG2 3.8Å; N105-I107 HydrophobicContact CB-CD1 4.15Å; N105-I107 HydrophobicContact CB-CG1 3.96Å; I107-V109 HydrophobicContact CG2-CG1 4.28Å; I107-V109 PolarHBondContact O-N 2.92Å; I107-V114 CarbonylContact O-C 3.37Å; I107-V114 VanDerWaalsContact O-CA 3.24Å; I107-V114 WeakPolarHBondContact O-CA 3.42Å; I107-A115 HydrophobicContact CB-CB 4.36Å; I107-A115 PolarHBondContact N-O 3.14Å; I107-A115 PolarHBondContact O-N 2.91Å; I107-Y124 HydrophobicContact CD1-CE1 4.43Å; I107-Y206 HydrophobicContact CD1-CD1 3.94Å; I107-Y206 HydrophobicContact CD1-CE1 4.4Å; I107-Y206 HydrophobicContact CD1-CG 4.09Å; I107-Y206 HydrophobicContact CG1-CD1 4.04Å; I107-Y206 HydrophobicContact CG1-CD2 3.99Å; I107-Y206 HydrophobicContact CG1-CE1 4.3Å; I107-Y206 HydrophobicContact CG1-CE2 4.25Å; I107-Y206 HydrophobicContact CG1-CG 3.87Å; I107-Y206 HydrophobicContact CG2-CD2 4.43Å; I107-Y206 HydrophobicContact CG2-CG 4.32Å; I107-P209 HydrophobicContact CG2-CG 4.47Å |
| 108 | P | 97.6 | Very high | 96.8 | Very high | 45 Ų | 45 | 33.5 Ų | 33.5 | 29% | 0.292 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 108.7 | -180 | 30.1 | -33.6 | 0 | 0 | 0 | 110.8 | L68 K69 | L68-P108 HydrophobicContact CB-CG 4.36Å; L68-P108 WeakPolarHBondContact CD1-O 3.38Å; K69-P108 VanDerWaalsContact O-CG 3.32Å; K69-P108 WeakPolarHBondContact O-CG 3.44Å |
| 109 | V | 96.9 | Very high | 97.1 | Very high | 25 Ų | 25 | 32.3 Ų | 32.3 | 15% | 0.152 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 9.4 | -178.4 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | I107 V113 A115 F139 K144 P209 | I107-V109 HydrophobicContact CG2-CG1 4.28Å; I107-V109 PolarHBondContact O-N 2.92Å; V109-V113 HydrophobicContact CG2-CB 4.27Å; V109-V113 HydrophobicContact CG2-CG1 3.73Å; V109-V113 PolarHBondContact N-O 2.84Å; V109-A115 HydrophobicContact CG1-CB 3.96Å; V109-F139 HydrophobicContact CB-CZ 4.03Å; V109-F139 HydrophobicContact CG1-CE1 4.4Å; V109-F139 HydrophobicContact CG1-CE2 4.28Å; V109-F139 HydrophobicContact CG1-CZ 3.75Å; V109-F139 HydrophobicContact CG2-CZ 4.04Å; V109-K144 HydrophobicContact CG2-CG 4.24Å; V109-P209 HydrophobicContact CG1-CG 4.49Å |
| 110 | G | 95.7 | Very high | 97.4 | Very high | 41 Ų | 41 | 36.2 Ų | 36.2 | 42% | 0.423 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.4 | 179.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R112 V113 | G110-R112 PolarHBondContact O-N 2.9Å; G110-V113 PolarHBondContact N-O 3.34Å; G110-V113 PolarHBondContact O-N 3.5Å; G110-V113 VanDerWaalsContact O-N 3.14Å |
| 111 | L | 95.8 | Very high | 97.5 | Very high | 143 Ų | 143 | 33.3 Ų | 33.3 | 75% | 0.749 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | 106.9 | 177.3 | 179.4 | 64.9 | 0 | 0 | 0 | 110.2 | V113 | L111-V113 PolarHBondContact O-N 3.19Š|
| 112 | R | 96.4 | Very high | 97.5 | Very high | 102 Ų | 102 | 34.2 Ų | 34.2 | 39% | 0.385 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 30.4 | -175.2 | -53.6 | -62.6 | -171.9 | 172.5 | -0.2 | 112.8 | G110 K146 E147 | G110-R112 PolarHBondContact O-N 2.9Å; R112-K146 CarbonylContact O-C 3.59Å; R112-K146 WeakPolarHBondContact O-CA 3.42Å; R112-E147 HydrophobicContact CB-CG 4.07Å; R112-E147 WeakPolarHBondContact CD-OE1 3.44Å; R112-E147 IonicContact NH1-OE1 3.52Å; R112-E147 VanDerWaalsContact O-CG 3.32Å; R112-E147 WeakPolarHBondContact O-CG 3.3Å; R112-E147 PolarHBondContact O-N 3.24Å |
| 113 | V | 98.3 | Very high | 97.5 | Very high | 16 Ų | 16 | 35.5 Ų | 35.5 | 10% | 0.097 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.8 | 175.2 | -172.3 | 0 | 0 | 0 | 0 | 108.2 | V109 G110 L111 K144 F145 M160 | V109-V113 HydrophobicContact CG2-CB 4.27Å; V109-V113 HydrophobicContact CG2-CG1 3.73Å; V109-V113 PolarHBondContact N-O 2.84Å; G110-V113 PolarHBondContact N-O 3.34Å; G110-V113 PolarHBondContact O-N 3.5Å; G110-V113 VanDerWaalsContact O-N 3.14Å; L111-V113 PolarHBondContact O-N 3.19Å; V113-K144 HydrophobicContact CG1-CB 3.85Å; V113-K144 HydrophobicContact CG1-CG 4.41Å; V113-F145 CarbonylContact C-O 3.57Å; V113-F145 VanDerWaalsContact CA-O 3.31Å; V113-F145 WeakPolarHBondContact CA-O 3.14Å; V113-M160 HydrophobicContact CG1-CG 3.89Å; V113-M160 HydrophobicContact CG1-SD 4.26Å; V113-M160 HydrophobicContact CG2-CE 4.08Å; V113-M160 HydrophobicContact CG2-CG 4.46Å; V113-M160 HydrophobicContact CG2-SD 3.73Å |
| 114 | V | 98.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147.8 | -178.6 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | L106 I107 I116 F145 E147 Y157 | L106-V114 HydrophobicContact CD1-CG2 4.31Å; L106-V114 HydrophobicContact CG-CB 4.26Å; L106-V114 HydrophobicContact CG-CG1 4.29Å; L106-V114 HydrophobicContact CG-CG2 4.41Å; I107-V114 CarbonylContact O-C 3.37Å; I107-V114 VanDerWaalsContact O-CA 3.24Å; I107-V114 WeakPolarHBondContact O-CA 3.42Å; V114-I116 HydrophobicContact CG2-CG1 4.27Å; V114-F145 HydrophobicContact CG2-CB 4.3Å; V114-F145 PolarHBondContact N-O 3.3Å; V114-F145 PolarHBondContact O-N 3.21Å; V114-E147 HydrophobicContact CG1-CG 4.21Å; V114-Y157 HydrophobicContact CG2-CD1 3.83Å; V114-Y157 HydrophobicContact CG2-CE1 3.81Å |
| 115 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 142.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | I107 V109 Y124 F139 | I107-A115 HydrophobicContact CB-CB 4.36Å; I107-A115 PolarHBondContact N-O 3.14Å; I107-A115 PolarHBondContact O-N 2.91Å; V109-A115 HydrophobicContact CG1-CB 3.96Å; A115-Y124 HydrophobicContact CB-CD1 4.09Å; A115-Y124 HydrophobicContact CB-CE1 4.13Å; A115-F139 HydrophobicContact CB-CD2 4.15Å; A115-F139 HydrophobicContact CB-CE2 3.6Å; A115-F139 HydrophobicContact CB-CZ 4.43Å |
| 116 | I | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 115.4 | 178 | -47.5 | -179 | 0 | 0 | 0 | 106.8 | L75 F104 L106 V114 Y124 I125 F145 Y157 L173 | L75-I116 HydrophobicContact CD1-CD1 4.42Å; L75-I116 HydrophobicContact CD1-CG2 4.22Å; F104-I116 HydrophobicContact CB-CG2 4.05Å; F104-I116 HydrophobicContact CD1-CG2 3.72Å; F104-I116 HydrophobicContact CG-CG2 4.04Å; L106-I116 HydrophobicContact CD1-CB 4.45Å; L106-I116 HydrophobicContact CD1-CD1 4.35Å; L106-I116 HydrophobicContact CD1-CG1 3.81Å; L106-I116 HydrophobicContact CD1-CG2 4.3Å; V114-I116 HydrophobicContact CG2-CG1 4.27Å; I116-Y124 CarbonylContact O-C 3.56Å; I116-Y124 WeakPolarHBondContact O-CA 3.35Å; I116-I125 HydrophobicContact CB-CB 4.38Å; I116-I125 HydrophobicContact CB-CD1 4.28Å; I116-I125 HydrophobicContact CB-CG1 4.4Å; I116-I125 HydrophobicContact CG2-CD1 3.82Å; I116-I125 HydrophobicContact CG2-CG1 4.33Å; I116-I125 PolarHBondContact O-N 3.04Å; I116-F145 HydrophobicContact CD1-CD2 4.18Å; I116-F145 HydrophobicContact CD1-CG 4.45Å; I116-F145 HydrophobicContact CG1-CD2 4.25Å; I116-Y157 HydrophobicContact CD1-CD1 4.2Å; I116-Y157 HydrophobicContact CD1-CD2 4.42Å; I116-Y157 HydrophobicContact CD1-CG 4.13Å; I116-L173 HydrophobicContact CD1-CD2 4.02Å |
| 117 | Q | 98.3 | Very high | 97.6 | Very high | 32 Ų | 32 | 34.5 Ų | 34.5 | 15% | 0.15 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 132.4 | -176.6 | -175.3 | -169.4 | 39.3 | 0 | 0 | 110.2 | F104 N105 V119 G122 L123 Y124 | F104-Q117 CarbonylContact C-O 3.54Å; F104-Q117 WeakPolarHBondContact CA-O 3.4Å; N105-Q117 HydrophobicContact CB-CB 4.22Å; N105-Q117 PolarHBondContact N-O 2.98Å; N105-Q117 PolarHBondContact ND2-OE1 3.48Å; N105-Q117 PolarHBondContact O-N 3.37Å; Q117-V119 PolarHBondContact O-N 3.38Å; Q117-G122 WeakPolarHBondContact CG-O 3.47Å; Q117-G122 PolarHBondContact NE2-O 3.39Å; Q117-L123 CarbonylContact C-O 3.49Å; Q117-L123 VanDerWaalsContact CA-O 3.3Å; Q117-L123 WeakPolarHBondContact CA-O 3.29Å; Q117-L123 WeakPolarHBondContact CG-O 3.27Å; Q117-Y124 HydrophobicContact CB-CD1 3.76Å; Q117-Y124 HydrophobicContact CB-CE1 3.82Å; Q117-Y124 HydrophobicContact CG-CD1 4.12Å; Q117-Y124 HydrophobicContact CG-CE1 4.06Å |
| 118 | G | 98.1 | Very high | 97.6 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 126.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | K120 G122 L123 | G118-K120 VanDerWaalsContact C-N 3.3Å; G118-K120 PolarHBondContact O-N 3.33Å; G118-G122 WeakPolarHBondContact O-CA 3.36Å; G118-G122 PolarHBondContact O-N 3.12Å; G118-L123 PolarHBondContact N-O 3.46Å |
| 119 | V | 97.1 | Very high | 97.6 | Very high | 61 Ų | 61 | 36 Ų | 36 | 37% | 0.37 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -40.9 | -178.7 | 173 | 0 | 0 | 0 | 0 | 111 | V72 L103 N105 Q117 | V72-V119 HydrophobicContact CG1-CG2 4.17Å; L103-V119 HydrophobicContact CB-CB 3.9Å; L103-V119 HydrophobicContact CB-CG2 3.76Å; L103-V119 WeakPolarHBondContact O-CG2 3.48Å; L103-V119 PolarHBondContact O-N 2.91Å; N105-V119 WeakPolarHBondContact OD1-CG2 3.3Å; Q117-V119 PolarHBondContact O-N 3.38Å |
| 120 | K | 95.8 | Very high | 97.6 | Very high | 127 Ų | 127 | 40.5 Ų | 40.5 | 55% | 0.552 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -37.8 | -176.2 | -173.4 | 177.5 | 177.7 | -178.5 | 0 | 113.2 | G118 | G118-K120 VanDerWaalsContact C-N 3.3Å; G118-K120 PolarHBondContact O-N 3.33Å |
| 121 | T | 96.7 | Very high | 97.7 | Very high | 38 Ų | 38 | 38.6 Ų | 38.6 | 23% | 0.233 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -23.8 | -172.6 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | M85 H86 L123 | M85-T121 HydrophobicContact CG-CG2 4.36Å; M85-T121 HydrophobicContact SD-CG2 4.31Å; M85-T121 PolarHBondContact SD-OG1 2.87Å; H86-T121 WeakPolarHBondContact O-CG2 3.41Å; T121-L123 HydrophobicContact CG2-CD1 4.5Å; T121-L123 PolarHBondContact O-N 3.46Å; T121-L123 PolarHBondContact OG1-N 3.08Å |
| 122 | G | 96.9 | Very high | 97.8 | Very high | 32 Ų | 32 | 37.3 Ų | 37.3 | 33% | 0.33 | 19% | 0.193 | S | C | . | . | trans | 72.3 | 0.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q117 G118 | Q117-G122 WeakPolarHBondContact CG-O 3.47Å; Q117-G122 PolarHBondContact NE2-O 3.39Å; G118-G122 WeakPolarHBondContact O-CA 3.36Å; G118-G122 PolarHBondContact O-N 3.12Å | ||
| 123 | L | 98.2 | Very high | 97.9 | Very high | 27 Ų | 27 | 33.8 Ų | 33.8 | 14% | 0.141 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -81.5 | 138.2 | -178.2 | -59.9 | 169.5 | 0 | 0 | 0 | 110.8 | M85 Q117 G118 T121 P135 E137 | M85-L123 HydrophobicContact CE-CB 4.44Å; M85-L123 HydrophobicContact SD-CB 3.81Å; Q117-L123 CarbonylContact C-O 3.49Å; Q117-L123 VanDerWaalsContact CA-O 3.3Å; Q117-L123 WeakPolarHBondContact CA-O 3.29Å; Q117-L123 WeakPolarHBondContact CG-O 3.27Å; G118-L123 PolarHBondContact N-O 3.46Å; T121-L123 HydrophobicContact CG2-CD1 4.5Å; T121-L123 PolarHBondContact O-N 3.46Å; T121-L123 PolarHBondContact OG1-N 3.08Å; L123-P135 HydrophobicContact CB-CB 4.17Å; L123-P135 HydrophobicContact CD1-CB 3.91Å; L123-E137 HydrophobicContact CD2-CB 4.25Å; L123-E137 HydrophobicContact CD2-CG 3.42Å; L123-E137 VanDerWaalsContact CD2-CG 3.42Å |
| 124 | Y | 98.5 | Very high | 97.9 | Very high | 25 Ų | 25 | 36.2 Ų | 36.2 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 142.8 | 170 | -63.9 | -78.9 | 0 | 0 | 0 | 110.4 | I107 A115 I116 Q117 P135 S136 F139 | I107-Y124 HydrophobicContact CD1-CE1 4.43Å; A115-Y124 HydrophobicContact CB-CD1 4.09Å; A115-Y124 HydrophobicContact CB-CE1 4.13Å; I116-Y124 CarbonylContact O-C 3.56Å; I116-Y124 WeakPolarHBondContact O-CA 3.35Å; Q117-Y124 HydrophobicContact CB-CD1 3.76Å; Q117-Y124 HydrophobicContact CB-CE1 3.82Å; Q117-Y124 HydrophobicContact CG-CD1 4.12Å; Q117-Y124 HydrophobicContact CG-CE1 4.06Å; Y124-P135 CarbonylContact O-C 3.58Å; Y124-P135 WeakPolarHBondContact O-CA 3.31Å; Y124-S136 PolarHBondContact N-O 3.36Å; Y124-S136 PolarHBondContact O-N 2.93Å; Y124-F139 HydrophobicContact CD1-CD2 4.24Å; Y124-F139 HydrophobicContact CD2-CB 4.25Å; Y124-F139 HydrophobicContact CE1-CD2 4.23Å; Y124-F139 HydrophobicContact CE2-CB 3.89Å |
| 125 | I | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 131.6 | 161.5 | -56.6 | -175.8 | 0 | 0 | 0 | 107.1 | L83 M85 L91 F104 I116 L133 C143 F145 | L83-I125 HydrophobicContact CD2-CD1 3.83Å; M85-I125 HydrophobicContact CE-CD1 4.32Å; M85-I125 HydrophobicContact CE-CG1 3.53Å; L91-I125 HydrophobicContact CD1-CB 4.39Å; L91-I125 HydrophobicContact CD1-CD1 4.06Å; L91-I125 HydrophobicContact CD1-CG1 3.95Å; L91-I125 HydrophobicContact CD1-CG2 3.8Å; L91-I125 HydrophobicContact CD2-CD1 3.84Å; L91-I125 HydrophobicContact CD2-CG1 4.11Å; F104-I125 HydrophobicContact CD1-CD1 4.39Å; F104-I125 HydrophobicContact CE1-CD1 3.9Å; I116-I125 HydrophobicContact CB-CB 4.38Å; I116-I125 HydrophobicContact CB-CD1 4.28Å; I116-I125 HydrophobicContact CB-CG1 4.4Å; I116-I125 HydrophobicContact CG2-CD1 3.82Å; I116-I125 HydrophobicContact CG2-CG1 4.33Å; I116-I125 PolarHBondContact O-N 3.04Å; I125-L133 HydrophobicContact CG2-CD2 4.09Å; I125-C143 WeakPolarHBondContact O-CA 3.44Å; I125-F145 HydrophobicContact CB-CE2 4.32Å; I125-F145 HydrophobicContact CG2-CE2 4.07Å; I125-F145 HydrophobicContact CG2-CZ 3.96Å; I125-F145 WeakPolarHBondContact O-CE2 3.47Å |
| 126 | A | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 158.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L133 Y134 E142 | A126-L133 VanDerWaalsContact O-CA 3.3Å; A126-L133 WeakPolarHBondContact O-CA 3.23Å; A126-Y134 HydrophobicContact CB-CD1 3.98Å; A126-Y134 HydrophobicContact CB-CD2 4.36Å; A126-Y134 HydrophobicContact CB-CE1 3.43Å; A126-Y134 VanDerWaalsContact CB-CE1 3.43Å; A126-Y134 HydrophobicContact CB-CE2 3.86Å; A126-Y134 HydrophobicContact CB-CG 4.41Å; A126-Y134 PolarHBondContact N-O 3.11Å; A126-Y134 PolarHBondContact O-N 2.95Å; A126-E142 WeakPolarHBondContact CA-O 3.19Å; A126-E142 HydrophobicContact CB-CB 4.11Å |
| 127 | M | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 120.7 | 172.5 | -176.1 | -178.3 | -67.9 | 0 | 0 | 109.2 | Y132 L133 E142 F145 Y162 W171 | M127-Y132 WeakPolarHBondContact CA-O 3.3Å; M127-L133 HydrophobicContact CB-CD2 4.12Å; M127-L133 HydrophobicContact CE-CD2 3.63Å; M127-L133 HydrophobicContact CE-CG 4.34Å; M127-L133 HydrophobicContact CG-CD2 4.44Å; M127-E142 PolarHBondContact N-O 2.82Å; M127-E142 VanDerWaalsContact N-O 3.13Å; M127-E142 WeakPolarHBondContact O-CB 3.49Å; M127-F145 HydrophobicContact CB-CE1 4.33Å; M127-F145 HydrophobicContact CB-CZ 4.26Å; M127-F145 HydrophobicContact CE-CE1 4.26Å; M127-Y162 WeakPolarHBondContact O-CD2 3.35Å; M127-Y162 WeakPolarHBondContact O-CE2 3.32Å; M127-W171 HydrophobicContact SD-CB 3.74Å; M127-W171 HydrophobicContact SD-CE3 4.14Å |
| 128 | N | 97.7 | Very high | 97.7 | Very high | 39 Ų | 39 | 47 Ų | 47 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | trans | -79.3 | 172 | -177.5 | 75.2 | 5 | 0 | 0 | 0 | 113 | E130 G131 Y132 Y134 E142 Y162 | N128-E130 PolarHBondContact O-N 2.93Å; N128-E130 VanDerWaalsContact O-N 3.12Å; N128-E130 WeakPolarHBondContact OD1-CB 3.29Å; N128-E130 PolarHBondContact OD1-N 3.22Å; N128-E130 VanDerWaalsContact OD1-N 3.11Å; N128-G131 WeakPolarHBondContact O-CA 3.31Å; N128-G131 PolarHBondContact O-N 2.95Å; N128-G131 PolarHBondContact OD1-N 3.3Å; N128-Y132 PolarHBondContact N-O 3.33Å; N128-Y132 PolarHBondContact OD1-N 2.92Å; N128-Y132 PolarHBondContact OD1-O 3.23Å; N128-Y134 HydrophobicContact CB-CD1 4.01Å; N128-Y134 HydrophobicContact CB-CE1 3.75Å; N128-E142 WeakPolarHBondContact CA-OE1 3.24Å; N128-Y162 VanDerWaalsContact O-CD2 3.27Å; N128-Y162 WeakPolarHBondContact O-CD2 3.48Å | ||
| 129 | G | 97.5 | Very high | 97.6 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 41% | 0.412 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -16.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y162 W171 | G129-Y162 VanDerWaalsContact CA-CZ 3.49Å; G129-W171 VanDerWaalsContact O-CH2 3.31Å; G129-W171 WeakPolarHBondContact O-CH2 3.44Å; G129-W171 WeakPolarHBondContact O-CZ3 3.41Å |
| 130 | E | 97.4 | Very high | 97.7 | Very high | 120 Ų | 120 | 44.8 Ų | 44.8 | 56% | 0.561 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -18.7 | 172.4 | -59.2 | -175.4 | 154.3 | 0 | 0 | 112.1 | N128 Y132 K183 | N128-E130 PolarHBondContact O-N 2.93Å; N128-E130 VanDerWaalsContact O-N 3.12Å; N128-E130 WeakPolarHBondContact OD1-CB 3.29Å; N128-E130 PolarHBondContact OD1-N 3.22Å; N128-E130 VanDerWaalsContact OD1-N 3.11Å; E130-Y132 HydrophobicContact CB-CD2 3.74Å; E130-Y132 HydrophobicContact CB-CE2 3.96Å; E130-Y132 WeakPolarHBondContact OE2-CD2 3.48Å; E130-Y132 VanDerWaalsContact OE2-CE2 3.29Å; E130-Y132 WeakPolarHBondContact OE2-CE2 3.44Å; E130-K183 WeakPolarHBondContact O-CE 3.43Å; E130-K183 PolarHBondContact O-NZ 3.44Å |
| 131 | G | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | 98.7 | 10.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N128 W171 K183 G184 | N128-G131 WeakPolarHBondContact O-CA 3.31Å; N128-G131 PolarHBondContact O-N 2.95Å; N128-G131 PolarHBondContact OD1-N 3.3Å; G131-W171 VanDerWaalsContact CA-CE3 3.47Å; G131-W171 VanDerWaalsContact N-CZ3 3.27Å; G131-K183 CarbonylContact O-C 3.52Å; G131-K183 WeakPolarHBondContact O-CA 3.32Å; G131-K183 WeakPolarHBondContact O-CG 3.39Å; G131-G184 PolarHBondContact O-N 2.91Å | ||
| 132 | Y | 98.3 | Very high | 97.9 | Very high | 116 Ų | 116 | 39 Ų | 39 | 46% | 0.455 | 21% | 0.206 | S | C | . | . | trans | -77.2 | 138.5 | 171.4 | -66.2 | -78 | 0 | 0 | 0 | 110.3 | M127 N128 E130 K183 | M127-Y132 WeakPolarHBondContact CA-O 3.3Å; N128-Y132 PolarHBondContact N-O 3.33Å; N128-Y132 PolarHBondContact OD1-N 2.92Å; N128-Y132 PolarHBondContact OD1-O 3.23Å; E130-Y132 HydrophobicContact CB-CD2 3.74Å; E130-Y132 HydrophobicContact CB-CE2 3.96Å; E130-Y132 WeakPolarHBondContact OE2-CD2 3.48Å; E130-Y132 VanDerWaalsContact OE2-CE2 3.29Å; E130-Y132 WeakPolarHBondContact OE2-CE2 3.44Å; Y132-K183 HydrophobicContact CD1-CG 4.31Å; Y132-K183 HydrophobicContact CE1-CD 4.02Å; Y132-K183 HydrophobicContact CE1-CG 4.26Å; Y132-K183 HydrophobicContact CE2-CD 4.23Å; Y132-K183 VanDerWaalsContact CE2-NZ 3.29Å; Y132-K183 PolarHBondContact OH-NZ 3.15Å | ||
| 133 | L | 98.3 | Very high | 97.9 | Very high | 29 Ų | 29 | 37.5 Ų | 37.5 | 15% | 0.152 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 135.8 | 169.1 | -65.5 | 165 | 0 | 0 | 0 | 108.1 | L91 I125 A126 M127 F145 L173 A181 | L91-L133 HydrophobicContact CD1-CB 4.23Å; I125-L133 HydrophobicContact CG2-CD2 4.09Å; A126-L133 VanDerWaalsContact O-CA 3.3Å; A126-L133 WeakPolarHBondContact O-CA 3.23Å; M127-L133 HydrophobicContact CB-CD2 4.12Å; M127-L133 HydrophobicContact CE-CD2 3.63Å; M127-L133 HydrophobicContact CE-CG 4.34Å; M127-L133 HydrophobicContact CG-CD2 4.44Å; L133-F145 HydrophobicContact CD2-CE1 4.46Å; L133-F145 HydrophobicContact CD2-CZ 4.25Å; L133-L173 HydrophobicContact CD1-CD1 3.43Å; L133-L173 VanDerWaalsContact CD1-CD1 3.43Å; L133-L173 HydrophobicContact CD2-CD1 4.07Å; L133-L173 HydrophobicContact CG-CD1 4.4Å; L133-A181 HydrophobicContact CD1-CB 4.25Å |
| 134 | Y | 98 | Very high | 98 | Very high | 66 Ų | 66 | 38.6 Ų | 38.6 | 26% | 0.259 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 154.2 | 179.5 | 74.1 | -83.7 | 0 | 0 | 0 | 110.7 | A126 N128 E142 | A126-Y134 HydrophobicContact CB-CD1 3.98Å; A126-Y134 HydrophobicContact CB-CD2 4.36Å; A126-Y134 HydrophobicContact CB-CE1 3.43Å; A126-Y134 VanDerWaalsContact CB-CE1 3.43Å; A126-Y134 HydrophobicContact CB-CE2 3.86Å; A126-Y134 HydrophobicContact CB-CG 4.41Å; A126-Y134 PolarHBondContact N-O 3.11Å; A126-Y134 PolarHBondContact O-N 2.95Å; N128-Y134 HydrophobicContact CB-CD1 4.01Å; N128-Y134 HydrophobicContact CB-CE1 3.75Å; Y134-E142 WeakPolarHBondContact CE1-OE2 3.5Å; Y134-E142 PolarHBondContact OH-OE2 2.85Å |
| 135 | P | 97.7 | Very high | 98 | Very high | 49 Ų | 49 | 37.4 Ų | 37.4 | 32% | 0.318 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 135.8 | 173.5 | 32 | -35.2 | 0 | 0 | 0 | 111.1 | G89 L123 Y124 | G89-P135 WeakPolarHBondContact O-CB 3.26Å; G89-P135 WeakPolarHBondContact O-CG 3.34Å; L123-P135 HydrophobicContact CB-CB 4.17Å; L123-P135 HydrophobicContact CD1-CB 3.91Å; Y124-P135 CarbonylContact O-C 3.58Å; Y124-P135 WeakPolarHBondContact O-CA 3.31Å |
| 136 | S | 97.7 | Very high | 98 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 129.1 | 176.1 | -174.8 | 0 | 0 | 0 | 0 | 110.6 | Y124 L138 | Y124-S136 PolarHBondContact N-O 3.36Å; Y124-S136 PolarHBondContact O-N 2.93Å; S136-L138 PolarHBondContact OG-O 3.23Å |
| 137 | E | 96.8 | Very high | 97.9 | Very high | 160 Ų | 160 | 43.9 Ų | 43.9 | 75% | 0.748 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -69.7 | -41.7 | 171.6 | -69.5 | 179.5 | -173.3 | 0 | 0 | 111.4 | L123 | L123-E137 HydrophobicContact CD2-CB 4.25Å; L123-E137 HydrophobicContact CD2-CG 3.42Å; L123-E137 VanDerWaalsContact CD2-CG 3.42Å |
| 138 | L | 97 | Very high | 97.9 | Very high | 49 Ų | 49 | 45.8 Ų | 45.8 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -88.5 | 144.2 | -179.9 | -58.8 | -176.4 | 0 | 0 | 0 | 110.7 | S136 T140 H212 T217 | S136-L138 PolarHBondContact OG-O 3.23Å; L138-T140 HydrophobicContact CB-CG2 4.37Å; L138-T140 PolarHBondContact O-N 2.91Å; L138-H212 HydrophobicContact CB-CB 4.24Å; L138-H212 HydrophobicContact CD1-CB 4.19Å; L138-T217 HydrophobicContact CD1-CG2 3.59Å; L138-T217 HydrophobicContact CG-CG2 4.09Å |
| 139 | F | 97.6 | Very high | 97.9 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 4% | 0.044 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -79.9 | 105.9 | 171.2 | 179.5 | -113.5 | 0 | 0 | 0 | 109.9 | V109 A115 Y124 C143 K144 P209 L211 H212 | V109-F139 HydrophobicContact CB-CZ 4.03Å; V109-F139 HydrophobicContact CG1-CE1 4.4Å; V109-F139 HydrophobicContact CG1-CE2 4.28Å; V109-F139 HydrophobicContact CG1-CZ 3.75Å; V109-F139 HydrophobicContact CG2-CZ 4.04Å; A115-F139 HydrophobicContact CB-CD2 4.15Å; A115-F139 HydrophobicContact CB-CE2 3.6Å; A115-F139 HydrophobicContact CB-CZ 4.43Å; Y124-F139 HydrophobicContact CD1-CD2 4.24Å; Y124-F139 HydrophobicContact CD2-CB 4.25Å; Y124-F139 HydrophobicContact CE1-CD2 4.23Å; Y124-F139 HydrophobicContact CE2-CB 3.89Å; F139-C143 HydrophobicContact CD2-CB 3.58Å; F139-C143 HydrophobicContact CE2-CB 3.73Å; F139-K144 HydrophobicContact CE2-CG 4.16Å; F139-K144 HydrophobicContact CZ-CD 4.34Å; F139-K144 HydrophobicContact CZ-CG 3.79Å; F139-P209 HydrophobicContact CB-CB 3.73Å; F139-P209 HydrophobicContact CD1-CB 3.55Å; F139-P209 HydrophobicContact CD1-CG 4.5Å; F139-P209 HydrophobicContact CD2-CB 4.24Å; F139-P209 HydrophobicContact CE1-CB 4.16Å; F139-P209 HydrophobicContact CG-CB 3.57Å; F139-P209 HydrophobicContact CG-CG 4.46Å; F139-L211 HydrophobicContact CD1-CB 4.43Å; F139-L211 HydrophobicContact CD1-CD1 3.91Å; F139-L211 HydrophobicContact CE1-CD1 3.81Å; F139-L211 WeakPolarHBondContact O-CA 3.48Å; F139-H212 PolarHBondContact O-N 2.94Å |
| 140 | T | 98 | Very high | 97.9 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | trans | -110.7 | 169.3 | 178.5 | 69.6 | 0 | 0 | 0 | 0 | 110.8 | L138 E142 C143 H212 | L138-T140 HydrophobicContact CB-CG2 4.37Å; L138-T140 PolarHBondContact O-N 2.91Å; T140-E142 PolarHBondContact O-N 2.92Å; T140-E142 VanDerWaalsContact O-N 3.14Å; T140-E142 PolarHBondContact OG1-N 2.88Å; T140-C143 PolarHBondContact N-SG 2.91Å; T140-C143 VanDerWaalsContact N-SG 3.44Å; T140-C143 WeakPolarHBondContact O-CB 3.28Å; T140-C143 PolarHBondContact O-N 3.1Å; T140-H212 HydrophobicContact CG2-CB 4.47Å | ||
| 141 | P | 97.9 | Very high | 97.7 | Very high | 31 Ų | 31 | 47 Ų | 47 | 20% | 0.201 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -52.9 | -27.3 | 169.4 | -31.1 | 37.9 | 0 | 0 | 0 | 114.5 | C143 K144 L161 L211 H212 V214 | P141-C143 VanDerWaalsContact C-N 3.26Å; P141-C143 PolarHBondContact O-N 3.28Å; P141-K144 WeakPolarHBondContact O-CB 3.48Å; P141-K144 PolarHBondContact O-N 3.42Å; P141-L161 HydrophobicContact CB-CD1 3.81Å; P141-L161 HydrophobicContact CB-CD2 4.27Å; P141-L161 HydrophobicContact CB-CG 4.42Å; P141-L211 HydrophobicContact CG-CD1 4.08Å; P141-H212 WeakPolarHBondContact CD-O 3.41Å; P141-V214 HydrophobicContact CB-CG2 4.49Å; P141-V214 HydrophobicContact CG-CG2 4.41Å |
| 142 | E | 98.3 | Very high | 97.4 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -71.2 | -19 | 176.7 | -64.3 | -166.5 | 152.5 | 0 | 0 | 113.3 | A126 M127 N128 Y134 T140 K144 L161 Y162 V214 | A126-E142 WeakPolarHBondContact CA-O 3.19Å; A126-E142 HydrophobicContact CB-CB 4.11Å; M127-E142 PolarHBondContact N-O 2.82Å; M127-E142 VanDerWaalsContact N-O 3.13Å; M127-E142 WeakPolarHBondContact O-CB 3.49Å; N128-E142 WeakPolarHBondContact CA-OE1 3.24Å; Y134-E142 WeakPolarHBondContact CE1-OE2 3.5Å; Y134-E142 PolarHBondContact OH-OE2 2.85Å; T140-E142 PolarHBondContact O-N 2.92Å; T140-E142 VanDerWaalsContact O-N 3.14Å; T140-E142 PolarHBondContact OG1-N 2.88Å; E142-K144 VanDerWaalsContact C-N 3.26Å; E142-K144 PolarHBondContact O-N 3.11Å; E142-L161 HydrophobicContact CG-CD1 3.91Å; E142-Y162 HydrophobicContact CG-CE2 3.95Å; E142-Y162 PolarHBondContact OE1-OH 2.87Å; E142-V214 HydrophobicContact CG-CG1 4.36Å; E142-V214 HydrophobicContact CG-CG2 3.95Å |
| 143 | C | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -79.6 | -5.7 | 174.8 | -56.1 | 0 | 0 | 0 | 0 | 113.5 | I125 F139 T140 P141 F145 | I125-C143 WeakPolarHBondContact O-CA 3.44Å; F139-C143 HydrophobicContact CD2-CB 3.58Å; F139-C143 HydrophobicContact CE2-CB 3.73Å; T140-C143 PolarHBondContact N-SG 2.91Å; T140-C143 VanDerWaalsContact N-SG 3.44Å; T140-C143 WeakPolarHBondContact O-CB 3.28Å; T140-C143 PolarHBondContact O-N 3.1Å; P141-C143 VanDerWaalsContact C-N 3.26Å; P141-C143 PolarHBondContact O-N 3.28Å; C143-F145 WeakPolarHBondContact O-CD2 3.32Å |
| 144 | K | 98.6 | Very high | 97.2 | Very high | 51 Ų | 51 | 54 Ų | 54 | 22% | 0.222 | 26% | 0.263 | C | S | . | . | trans | -89.4 | 115.3 | -176.1 | -63.6 | -174.5 | -178.4 | 179 | 0 | 110.8 | V109 V113 F139 P141 E142 M160 | V109-K144 HydrophobicContact CG2-CG 4.24Å; V113-K144 HydrophobicContact CG1-CB 3.85Å; V113-K144 HydrophobicContact CG1-CG 4.41Å; F139-K144 HydrophobicContact CE2-CG 4.16Å; F139-K144 HydrophobicContact CZ-CD 4.34Å; F139-K144 HydrophobicContact CZ-CG 3.79Å; P141-K144 WeakPolarHBondContact O-CB 3.48Å; P141-K144 PolarHBondContact O-N 3.42Å; E142-K144 VanDerWaalsContact C-N 3.26Å; E142-K144 PolarHBondContact O-N 3.11Å; K144-M160 HydrophobicContact CB-CB 4.03Å; K144-M160 HydrophobicContact CB-CG 3.79Å; K144-M160 WeakPolarHBondContact O-CB 3.13Å; K144-M160 VanDerWaalsContact O-CG 3.27Å; K144-M160 WeakPolarHBondContact O-CG 3.31Å; K144-M160 PolarHBondContact O-N 3.44Å; K144-M160 VanDerWaalsContact O-N 3.15Å | ||
| 145 | F | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 127.5 | 174.3 | -67.5 | -87.4 | 0 | 0 | 0 | 111.3 | V113 V114 I116 I125 M127 L133 C143 E147 Y157 S158 | V113-F145 CarbonylContact C-O 3.57Å; V113-F145 VanDerWaalsContact CA-O 3.31Å; V113-F145 WeakPolarHBondContact CA-O 3.14Å; V114-F145 HydrophobicContact CG2-CB 4.3Å; V114-F145 PolarHBondContact N-O 3.3Å; V114-F145 PolarHBondContact O-N 3.21Å; I116-F145 HydrophobicContact CD1-CD2 4.18Å; I116-F145 HydrophobicContact CD1-CG 4.45Å; I116-F145 HydrophobicContact CG1-CD2 4.25Å; I125-F145 HydrophobicContact CB-CE2 4.32Å; I125-F145 HydrophobicContact CG2-CE2 4.07Å; I125-F145 HydrophobicContact CG2-CZ 3.96Å; I125-F145 WeakPolarHBondContact O-CE2 3.47Å; M127-F145 HydrophobicContact CB-CE1 4.33Å; M127-F145 HydrophobicContact CB-CZ 4.26Å; M127-F145 HydrophobicContact CE-CE1 4.26Å; L133-F145 HydrophobicContact CD2-CE1 4.46Å; L133-F145 HydrophobicContact CD2-CZ 4.25Å; C143-F145 WeakPolarHBondContact O-CD2 3.32Å; F145-E147 PolarHBondContact O-N 3.05Å; F145-Y157 HydrophobicContact CB-CD1 4.48Å; F145-S158 CarbonylContact C-O 3.58Å; F145-S158 VanDerWaalsContact CA-O 3.29Å; F145-S158 WeakPolarHBondContact CA-O 3.42Å |
| 146 | K | 98.6 | Very high | 97.3 | Very high | 91 Ų | 91 | 49.8 Ų | 49.8 | 40% | 0.396 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 114.5 | 166.6 | -177.4 | 175.3 | -176.8 | 172.8 | 0 | 109.2 | R112 S158 M160 | R112-K146 CarbonylContact O-C 3.59Å; R112-K146 WeakPolarHBondContact O-CA 3.42Å; K146-S158 PolarHBondContact N-O 3.2Å; K146-S158 PolarHBondContact O-N 2.89Å; K146-S158 PolarHBondContact O-OG 3.39Å; K146-M160 HydrophobicContact CB-CG 4.44Å; K146-M160 HydrophobicContact CB-SD 3.76Å |
| 147 | E | 97.8 | Very high | 97.3 | Very high | 44 Ų | 44 | 49.4 Ų | 49.4 | 21% | 0.206 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 140.5 | 170.2 | 55.1 | 161.8 | -149.7 | 0 | 0 | 110.5 | R112 V114 F145 V155 I156 Y157 | R112-E147 HydrophobicContact CB-CG 4.07Å; R112-E147 WeakPolarHBondContact CD-OE1 3.44Å; R112-E147 IonicContact NH1-OE1 3.52Å; R112-E147 VanDerWaalsContact O-CG 3.32Å; R112-E147 WeakPolarHBondContact O-CG 3.3Å; R112-E147 PolarHBondContact O-N 3.24Å; V114-E147 HydrophobicContact CG1-CG 4.21Å; F145-E147 PolarHBondContact O-N 3.05Å; E147-V155 HydrophobicContact CB-CG1 4.26Å; E147-I156 CarbonylContact C-O 3.59Å; E147-I156 WeakPolarHBondContact CA-O 3.36Å; E147-Y157 HydrophobicContact CB-CD1 4.01Å; E147-Y157 HydrophobicContact CB-CE1 3.92Å |
| 148 | S | 97.7 | Very high | 97.4 | Very high | 40 Ų | 40 | 42.1 Ų | 42.1 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 153.3 | 175.1 | -70.7 | 0 | 0 | 0 | 0 | 109.8 | V155 I156 | S148-V155 CarbonylContact O-C 3.51Å; S148-V155 WeakPolarHBondContact O-CA 3.32Å; S148-I156 PolarHBondContact N-O 2.94Å; S148-I156 WeakPolarHBondContact O-CG1 3.46Å; S148-I156 PolarHBondContact O-N 2.69Å |
| 149 | V | 97.4 | Very high | 97.5 | Very high | 67 Ų | 67 | 39.8 Ų | 39.8 | 41% | 0.406 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 141.2 | 176.4 | -175 | 0 | 0 | 0 | 0 | 109.5 | N152 Y154 | V149-N152 VanDerWaalsContact CG1-CA 3.47Å; V149-Y154 CarbonylContact C-O 3.59Å; V149-Y154 WeakPolarHBondContact CA-O 3.42Å |
| 150 | F | 97.1 | Very high | 97.5 | Very high | 23 Ų | 23 | 43 Ų | 43 | 10% | 0.101 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.9 | 172.8 | -175.5 | -98.4 | 0 | 0 | 0 | 109.6 | N152 Y153 Y154 I156 K189 T190 H195 | F150-N152 PolarHBondContact O-N 3.03Å; F150-Y153 PolarHBondContact O-N 2.82Å; F150-Y154 HydrophobicContact CD1-CD2 4.35Å; F150-Y154 PolarHBondContact N-O 3.47Å; F150-Y154 PolarHBondContact O-N 2.93Å; F150-I156 HydrophobicContact CB-CG2 3.96Å; F150-K189 HydrophobicContact CD2-CD 4.36Å; F150-K189 HydrophobicContact CD2-CG 3.79Å; F150-K189 HydrophobicContact CE2-CG 4.09Å; F150-T190 HydrophobicContact CE2-CG2 4.19Å; F150-T190 HydrophobicContact CZ-CG2 4.34Å; F150-H195 AromaticContact CD1-CE1 3.26Å; F150-H195 WeakPolarHBondContact CD1-CE1 3.29Å; F150-H195 AromaticContact CD1-ND1 3.93Å; F150-H195 AromaticContact CD1-NE2 3.39Å; F150-H195 WeakPolarHBondContact CD1-NE2 3.19Å; F150-H195 AromaticContact CE1-CE1 3.22Å; F150-H195 WeakPolarHBondContact CE1-CE1 3.43Å; F150-H195 AromaticContact CE1-NE2 3.49Å; F150-H195 WeakPolarHBondContact CE1-NE2 3.47Å |
| 151 | E | 94.1 | Very high | 97.5 | Very high | 135 Ų | 135 | 46.6 Ų | 46.6 | 63% | 0.631 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 30.6 | -178 | -68.9 | 174.5 | 176.7 | 0 | 0 | 114.2 | Y153 | E151-Y153 PolarHBondContact O-N 3.46Š|
| 152 | N | 92.1 | Very high | 97.5 | Very high | 112 Ų | 112 | 47.7 Ų | 47.7 | 60% | 0.599 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 14.3 | -176.7 | -63.2 | 2.1 | 0 | 0 | 0 | 115.4 | V149 F150 | V149-N152 VanDerWaalsContact CG1-CA 3.47Å; F150-N152 PolarHBondContact O-N 3.03Å |
| 153 | Y | 93.9 | Very high | 97.5 | Very high | 140 Ų | 140 | 51.3 Ų | 51.3 | 55% | 0.549 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | -49.7 | -173.1 | -173.1 | -104.9 | 0 | 0 | 0 | 112.5 | F150 E151 | F150-Y153 PolarHBondContact O-N 2.82Å; E151-Y153 PolarHBondContact O-N 3.46Å |
| 154 | Y | 98.2 | Very high | 97.4 | Very high | 39 Ų | 39 | 54.6 Ų | 54.6 | 15% | 0.153 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 149.1 | -178.1 | -60.5 | -72.9 | 0 | 0 | 0 | 111.7 | R78 V149 F150 H195 | R78-Y154 HydrophobicContact CB-CE1 3.99Å; R78-Y154 VanDerWaalsContact CD-CZ 3.49Å; R78-Y154 WeakPolarHBondContact CD-OH 3.34Å; R78-Y154 HydrophobicContact CG-CE1 4Å; R78-Y154 PolarHBondContact NE-OH 2.75Å; V149-Y154 CarbonylContact C-O 3.59Å; V149-Y154 WeakPolarHBondContact CA-O 3.42Å; F150-Y154 HydrophobicContact CD1-CD2 4.35Å; F150-Y154 PolarHBondContact N-O 3.47Å; F150-Y154 PolarHBondContact O-N 2.93Å; Y154-H195 HydrophobicContact CD1-CB 3.64Å; Y154-H195 HydrophobicContact CD2-CB 4.15Å; Y154-H195 AromaticContact CD2-CG 3.93Å; Y154-H195 AromaticContact CD2-ND1 3.33Å; Y154-H195 VanDerWaalsContact CD2-ND1 3.33Å; Y154-H195 WeakPolarHBondContact CD2-ND1 3.13Å; Y154-H195 HydrophobicContact CE1-CB 4.22Å; Y154-H195 AromaticContact CE2-ND1 3.66Å; Y154-H195 HydrophobicContact CG-CB 3.59Å; Y154-H195 AromaticContact CG-CG 3.82Å; Y154-H195 AromaticContact CG-ND1 3.72Å |
| 155 | V | 98.5 | Very high | 97.1 | Very high | 25 Ų | 25 | 60.8 Ų | 60.8 | 15% | 0.152 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 136.2 | 166.9 | -175 | 0 | 0 | 0 | 0 | 108.7 | E147 S148 Y157 F196 P198 | E147-V155 HydrophobicContact CB-CG1 4.26Å; S148-V155 CarbonylContact O-C 3.51Å; S148-V155 WeakPolarHBondContact O-CA 3.32Å; V155-Y157 HydrophobicContact CG1-CD1 4.46Å; V155-Y157 HydrophobicContact CG1-CE1 3.82Å; V155-Y157 HydrophobicContact CG1-CE2 4.03Å; V155-F196 PolarHBondContact N-O 2.89Å; V155-F196 PolarHBondContact O-N 2.75Å; V155-P198 HydrophobicContact CB-CG 4.17Å; V155-P198 HydrophobicContact CG2-CG 3.84Å |
| 156 | I | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 141.3 | 174.3 | 70 | -174.7 | 0 | 0 | 0 | 108.6 | E147 S148 F150 F172 K189 A194 | E147-I156 CarbonylContact C-O 3.59Å; E147-I156 WeakPolarHBondContact CA-O 3.36Å; S148-I156 PolarHBondContact N-O 2.94Å; S148-I156 WeakPolarHBondContact O-CG1 3.46Å; S148-I156 PolarHBondContact O-N 2.69Å; F150-I156 HydrophobicContact CB-CG2 3.96Å; I156-F172 HydrophobicContact CB-CD1 4.21Å; I156-F172 HydrophobicContact CB-CE1 4.34Å; I156-F172 HydrophobicContact CD1-CD1 4.31Å; I156-F172 HydrophobicContact CD1-CE1 3.6Å; I156-F172 HydrophobicContact CD1-CZ 4.32Å; I156-F172 HydrophobicContact CG1-CD1 4.31Å; I156-F172 HydrophobicContact CG1-CE1 3.97Å; I156-K189 HydrophobicContact CD1-CB 4.31Å; I156-K189 HydrophobicContact CD1-CD 3.61Å; I156-K189 HydrophobicContact CD1-CG 3.55Å; I156-A194 HydrophobicContact CG2-CB 4.4Å; I156-A194 WeakPolarHBondContact CG2-O 3.44Å |
| 157 | Y | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 69.7 Ų | 69.7 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 117 | 179.6 | -58.8 | -77 | 0 | 0 | 0 | 109 | L75 L106 V114 I116 F145 E147 V155 F172 L173 F196 | L75-Y157 HydrophobicContact CD1-CE2 4.22Å; L75-Y157 HydrophobicContact CD2-CE2 4.09Å; L75-Y157 WeakPolarHBondContact CD2-OH 3.47Å; L106-Y157 HydrophobicContact CD1-CE1 4.43Å; V114-Y157 HydrophobicContact CG2-CD1 3.83Å; V114-Y157 HydrophobicContact CG2-CE1 3.81Å; I116-Y157 HydrophobicContact CD1-CD1 4.2Å; I116-Y157 HydrophobicContact CD1-CD2 4.42Å; I116-Y157 HydrophobicContact CD1-CG 4.13Å; F145-Y157 HydrophobicContact CB-CD1 4.48Å; E147-Y157 HydrophobicContact CB-CD1 4.01Å; E147-Y157 HydrophobicContact CB-CE1 3.92Å; V155-Y157 HydrophobicContact CG1-CD1 4.46Å; V155-Y157 HydrophobicContact CG1-CE1 3.82Å; V155-Y157 HydrophobicContact CG1-CE2 4.03Å; Y157-F172 CarbonylContact O-C 3.55Å; Y157-F172 VanDerWaalsContact O-CA 3.28Å; Y157-F172 WeakPolarHBondContact O-CA 3.4Å; Y157-L173 HydrophobicContact CD2-CD2 4.12Å; Y157-L173 PolarHBondContact O-N 2.8Å; Y157-F196 HydrophobicContact CD2-CD2 4.23Å; Y157-F196 HydrophobicContact CE2-CB 4.15Å; Y157-F196 HydrophobicContact CE2-CG 4.44Å |
| 158 | S | 98.6 | Very high | 96.7 | Very high | 6 Ų | 6 | 69.7 Ų | 69.7 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 146.7 | 179.9 | 59.2 | 0 | 0 | 0 | 0 | 112.3 | F145 K146 M160 W171 | F145-S158 CarbonylContact C-O 3.58Å; F145-S158 VanDerWaalsContact CA-O 3.29Å; F145-S158 WeakPolarHBondContact CA-O 3.42Å; K146-S158 PolarHBondContact N-O 3.2Å; K146-S158 PolarHBondContact O-N 2.89Å; K146-S158 PolarHBondContact O-OG 3.39Å; S158-M160 PolarHBondContact O-N 2.87Å; S158-W171 CarbonylContact C-O 3.49Å; S158-W171 WeakPolarHBondContact CA-O 3.25Å; S158-W171 VanDerWaalsContact CB-O 3.31Å; S158-W171 WeakPolarHBondContact CB-O 3.01Å |
| 159 | S | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.007 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 136.2 | 172.5 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | L161 Y162 R163 W171 | S159-L161 VanDerWaalsContact C-N 3.32Å; S159-L161 PolarHBondContact OG-N 3.22Å; S159-Y162 PolarHBondContact OG-N 3.3Å; S159-R163 PolarHBondContact O-NH2 3.21Å; S159-W171 PolarHBondContact N-O 3.5Å |
| 160 | M | 97.8 | Very high | 96.7 | Very high | 78 Ų | 78 | 68.5 Ų | 68.5 | 38% | 0.384 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | -29.6 | 170.7 | -81.2 | -68.5 | -65.2 | 0 | 0 | 112.2 | V113 K144 K146 S158 | V113-M160 HydrophobicContact CG1-CG 3.89Å; V113-M160 HydrophobicContact CG1-SD 4.26Å; V113-M160 HydrophobicContact CG2-CE 4.08Å; V113-M160 HydrophobicContact CG2-CG 4.46Å; V113-M160 HydrophobicContact CG2-SD 3.73Å; K144-M160 HydrophobicContact CB-CB 4.03Å; K144-M160 HydrophobicContact CB-CG 3.79Å; K144-M160 WeakPolarHBondContact O-CB 3.13Å; K144-M160 VanDerWaalsContact O-CG 3.27Å; K144-M160 WeakPolarHBondContact O-CG 3.31Å; K144-M160 PolarHBondContact O-N 3.44Å; K144-M160 VanDerWaalsContact O-N 3.15Å; K146-M160 HydrophobicContact CB-CG 4.44Å; K146-M160 HydrophobicContact CB-SD 3.76Å; S158-M160 PolarHBondContact O-N 2.87Å |
| 161 | L | 97.3 | Very high | 96.8 | Very high | 80 Ų | 80 | 68.6 Ų | 68.6 | 42% | 0.419 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -44.8 | -174 | -59.6 | 178.5 | 0 | 0 | 0 | 112.7 | P141 E142 S159 | P141-L161 HydrophobicContact CB-CD1 3.81Å; P141-L161 HydrophobicContact CB-CD2 4.27Å; P141-L161 HydrophobicContact CB-CG 4.42Å; E142-L161 HydrophobicContact CG-CD1 3.91Å; S159-L161 VanDerWaalsContact C-N 3.32Å; S159-L161 PolarHBondContact OG-N 3.22Å |
| 162 | Y | 98.1 | Very high | 97 | Very high | 54 Ų | 54 | 62.7 Ų | 62.7 | 21% | 0.212 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131.3 | -162.7 | -53 | -57.2 | 0 | 0 | 0 | 113.3 | M127 N128 G129 E142 S159 W171 | M127-Y162 WeakPolarHBondContact O-CD2 3.35Å; M127-Y162 WeakPolarHBondContact O-CE2 3.32Å; N128-Y162 VanDerWaalsContact O-CD2 3.27Å; N128-Y162 WeakPolarHBondContact O-CD2 3.48Å; G129-Y162 VanDerWaalsContact CA-CZ 3.49Å; E142-Y162 HydrophobicContact CG-CE2 3.95Å; E142-Y162 PolarHBondContact OE1-OH 2.87Å; S159-Y162 PolarHBondContact OG-N 3.3Å; Y162-W171 VanDerWaalsContact CB-CE3 3.41Å; Y162-W171 HydrophobicContact CG-CE3 4.35Å; Y162-W171 HydrophobicContact CG-CZ3 4.22Å |
| 163 | R | 97.9 | Very high | 97.3 | Very high | 88 Ų | 88 | 57.4 Ų | 57.4 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 160.5 | -178.9 | -55.5 | -175.3 | 176 | -86.6 | -22.5 | 108.9 | S159 Q165 R169 | S159-R163 PolarHBondContact O-NH2 3.21Å; R163-Q165 PolarHBondContact O-N 2.81Å; R163-R169 CarbonylContact C-O 3.58Å; R163-R169 WeakPolarHBondContact CA-O 3.33Å |
| 164 | Q | 96.8 | Very high | 97.5 | Very high | 70 Ų | 70 | 50.8 Ų | 50.8 | 33% | 0.327 | 25% | 0.254 | S | S | . | . | trans | -62.9 | 125.6 | 168.7 | -165.8 | 72.5 | 53.6 | 0 | 0 | 109.2 | E166 G168 R169 | Q164-E166 PolarHBondContact O-N 3.03Å; Q164-G168 VanDerWaalsContact O-CA 3.28Å; Q164-G168 WeakPolarHBondContact O-CA 3.35Å; Q164-G168 PolarHBondContact O-N 3.06Å; Q164-R169 HydrophobicContact CB-CB 4.08Å; Q164-R169 PolarHBondContact N-O 2.79Å; Q164-R169 VanDerWaalsContact OE1-NH2 3.16Å | ||
| 165 | Q | 93.6 | Very high | 97.6 | Very high | 181 Ų | 181 | 48.9 Ų | 48.9 | 85% | 0.846 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -47.1 | -174.1 | -63.6 | -61.6 | -17.5 | 0 | 0 | 112.8 | R163 | R163-Q165 PolarHBondContact O-N 2.81Š|
| 166 | E | 94.5 | Very high | 97.6 | Very high | 189 Ų | 189 | 49.2 Ų | 49.2 | 88% | 0.883 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -49.9 | -177.4 | -63.9 | 171.5 | -179.8 | 0 | 0 | 112.8 | Q164 | Q164-E166 PolarHBondContact O-N 3.03Š|
| 167 | S | 95.1 | Very high | 97.5 | Very high | 89 Ų | 89 | 56.4 Ų | 56.4 | 62% | 0.622 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -15.9 | -172.7 | 167.4 | 0 | 0 | 0 | 0 | 113.8 | R169 | S167-R169 PolarHBondContact O-N 2.93Å; S167-R169 VanDerWaalsContact O-N 3.15Å |
| 168 | G | 96.4 | Very high | 97.5 | Very high | 43 Ų | 43 | 62.1 Ų | 62.1 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | trans | 68.4 | 4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q164 A170 | Q164-G168 VanDerWaalsContact O-CA 3.28Å; Q164-G168 WeakPolarHBondContact O-CA 3.35Å; Q164-G168 PolarHBondContact O-N 3.06Å; G168-A170 PolarHBondContact O-N 2.83Å | ||
| 169 | R | 97.4 | Very high | 97.5 | Very high | 74 Ų | 74 | 61.9 Ų | 61.9 | 28% | 0.279 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 124.2 | -178 | -178.7 | 178.2 | 61 | 82.4 | -1.7 | 110.9 | R163 Q164 S167 N185 | R163-R169 CarbonylContact C-O 3.58Å; R163-R169 WeakPolarHBondContact CA-O 3.33Å; Q164-R169 HydrophobicContact CB-CB 4.08Å; Q164-R169 PolarHBondContact N-O 2.79Å; Q164-R169 VanDerWaalsContact OE1-NH2 3.16Å; S167-R169 PolarHBondContact O-N 2.93Å; S167-R169 VanDerWaalsContact O-N 3.15Å; R169-N185 PolarHBondContact NH1-O 3.04Å; R169-N185 PolarHBondContact NH2-O 3.14Å |
| 170 | A | 98.1 | Very high | 97.5 | Very high | 9 Ų | 9 | 67.4 Ų | 67.4 | 7% | 0.074 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 154.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G168 F172 | G168-A170 PolarHBondContact O-N 2.83Å; A170-F172 HydrophobicContact CB-CD2 4.5Å; A170-F172 HydrophobicContact CB-CE1 4.29Å; A170-F172 HydrophobicContact CB-CE2 3.76Å; A170-F172 HydrophobicContact CB-CZ 3.63Å; A170-F172 VanDerWaalsContact O-CD2 3.32Å; A170-F172 WeakPolarHBondContact O-CD2 3.3Å; A170-F172 WeakPolarHBondContact O-CE2 3.29Å |
| 171 | W | 98.6 | Very high | 97.5 | Very high | 25 Ų | 25 | 65.6 Ų | 65.6 | 10% | 0.095 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 142.1 | 168.7 | -63.2 | 1.6 | 0 | 0 | 0 | 109.5 | M127 G129 G131 S158 S159 Y162 G184 N185 | M127-W171 HydrophobicContact SD-CB 3.74Å; M127-W171 HydrophobicContact SD-CE3 4.14Å; G129-W171 VanDerWaalsContact O-CH2 3.31Å; G129-W171 WeakPolarHBondContact O-CH2 3.44Å; G129-W171 WeakPolarHBondContact O-CZ3 3.41Å; G131-W171 VanDerWaalsContact CA-CE3 3.47Å; G131-W171 VanDerWaalsContact N-CZ3 3.27Å; S158-W171 CarbonylContact C-O 3.49Å; S158-W171 WeakPolarHBondContact CA-O 3.25Å; S158-W171 VanDerWaalsContact CB-O 3.31Å; S158-W171 WeakPolarHBondContact CB-O 3.01Å; S159-W171 PolarHBondContact N-O 3.5Å; Y162-W171 VanDerWaalsContact CB-CE3 3.41Å; Y162-W171 HydrophobicContact CG-CE3 4.35Å; Y162-W171 HydrophobicContact CG-CZ3 4.22Å; W171-G184 VanDerWaalsContact CA-O 3.31Å; W171-G184 WeakPolarHBondContact CA-O 3.46Å; W171-N185 HydrophobicContact CD2-CB 3.8Å; W171-N185 VanDerWaalsContact CE2-CB 3.47Å; W171-N185 HydrophobicContact CE3-CB 4.49Å; W171-N185 HydrophobicContact CG-CB 4.03Å; W171-N185 HydrophobicContact CZ2-CB 3.89Å |
| 172 | F | 98.7 | Very high | 97.5 | Very high | 11 Ų | 11 | 64 Ų | 64 | 5% | 0.048 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 147 | -168.5 | -62.8 | -89.8 | 0 | 0 | 0 | 112 | I156 Y157 A170 G184 V187 K189 A194 | I156-F172 HydrophobicContact CB-CD1 4.21Å; I156-F172 HydrophobicContact CB-CE1 4.34Å; I156-F172 HydrophobicContact CD1-CD1 4.31Å; I156-F172 HydrophobicContact CD1-CE1 3.6Å; I156-F172 HydrophobicContact CD1-CZ 4.32Å; I156-F172 HydrophobicContact CG1-CD1 4.31Å; I156-F172 HydrophobicContact CG1-CE1 3.97Å; Y157-F172 CarbonylContact O-C 3.55Å; Y157-F172 VanDerWaalsContact O-CA 3.28Å; Y157-F172 WeakPolarHBondContact O-CA 3.4Å; A170-F172 HydrophobicContact CB-CD2 4.5Å; A170-F172 HydrophobicContact CB-CE1 4.29Å; A170-F172 HydrophobicContact CB-CE2 3.76Å; A170-F172 HydrophobicContact CB-CZ 3.63Å; A170-F172 VanDerWaalsContact O-CD2 3.32Å; A170-F172 WeakPolarHBondContact O-CD2 3.3Å; A170-F172 WeakPolarHBondContact O-CE2 3.29Å; F172-G184 PolarHBondContact N-O 3.16Å; F172-G184 VanDerWaalsContact N-O 3.08Å; F172-G184 VanDerWaalsContact O-CA 3.26Å; F172-G184 WeakPolarHBondContact O-CA 3.49Å; F172-V187 HydrophobicContact CB-CB 3.98Å; F172-V187 HydrophobicContact CB-CG1 3.66Å; F172-K189 HydrophobicContact CE1-CB 4.3Å; F172-K189 HydrophobicContact CE2-CB 3.92Å; F172-K189 HydrophobicContact CZ-CB 3.67Å; F172-K189 HydrophobicContact CZ-CD 4.49Å; F172-K189 HydrophobicContact CZ-CG 4.44Å; F172-A194 HydrophobicContact CB-CB 4.41Å |
| 173 | L | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | trans | -60.1 | 138.1 | 159 | 174 | 61.5 | 0 | 0 | 0 | 108.7 | L83 I116 L133 Y157 F196 | L83-L173 HydrophobicContact CD2-CD2 4.23Å; I116-L173 HydrophobicContact CD1-CD2 4.02Å; L133-L173 HydrophobicContact CD1-CD1 3.43Å; L133-L173 VanDerWaalsContact CD1-CD1 3.43Å; L133-L173 HydrophobicContact CD2-CD1 4.07Å; L133-L173 HydrophobicContact CG-CD1 4.4Å; Y157-L173 HydrophobicContact CD2-CD2 4.12Å; Y157-L173 PolarHBondContact O-N 2.8Å; L173-F196 HydrophobicContact CD2-CE2 4.31Å; L173-F196 HydrophobicContact CD2-CZ 4.26Å; L173-F196 HydrophobicContact CG-CE2 3.95Å; L173-F196 HydrophobicContact CG-CZ 3.91Å | ||
| 174 | G | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -172.5 | 159.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | M182 A193 | G174-M182 PolarHBondContact O-N 3.09Å; G174-A193 WeakPolarHBondContact CA-O 3.33Å | ||
| 175 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -114.3 | 148.3 | 175.8 | -58.5 | -179.5 | 0 | 0 | 0 | 110.3 | C77 L83 Q180 A181 A193 F196 | C77-L175 HydrophobicContact CB-CD1 3.87Å; C77-L175 HydrophobicContact CB-CG 4.4Å; L83-L175 HydrophobicContact CD1-CD1 4.45Å; L83-L175 HydrophobicContact CD1-CD2 4.05Å; L175-Q180 CarbonylContact C-O 3.47Å; L175-Q180 VanDerWaalsContact CA-O 3.3Å; L175-Q180 WeakPolarHBondContact CA-O 3.48Å; L175-A181 HydrophobicContact CD2-CB 4.36Å; L175-A193 PolarHBondContact N-O 2.93Å; L175-A193 VanDerWaalsContact O-CA 3.29Å; L175-A193 WeakPolarHBondContact O-CA 3.41Å; L175-A193 WeakPolarHBondContact O-CB 3.45Å; L175-F196 HydrophobicContact CG-CZ 4.48Å |
| 176 | N | 98.2 | Very high | 97.8 | Very high | 31 Ų | 31 | 58.6 Ų | 58.6 | 17% | 0.166 | 29% | 0.292 | C | S | . | . | trans | -78.6 | -169 | 172 | 68.6 | 6.6 | 0 | 0 | 0 | 111.3 | Q79 E178 G179 Q180 M182 | Q79-N176 WeakPolarHBondContact CB-O 3.48Å; Q79-N176 WeakPolarHBondContact CG-O 3.47Å; Q79-N176 PolarHBondContact NE2-O 3.12Å; Q79-N176 VanDerWaalsContact NE2-O 3.14Å; N176-E178 WeakPolarHBondContact CB-OE2 3.46Å; N176-E178 PolarHBondContact ND2-OE2 3.25Å; N176-E178 VanDerWaalsContact ND2-OE2 3.16Å; N176-E178 WeakPolarHBondContact OD1-CA 3.43Å; N176-E178 WeakPolarHBondContact OD1-CB 3.36Å; N176-E178 PolarHBondContact OD1-N 3.44Å; N176-E178 PolarHBondContact OD1-OE2 3.44Å; N176-G179 PolarHBondContact OD1-N 3.38Å; N176-Q180 PolarHBondContact N-O 3.38Å; N176-Q180 PolarHBondContact ND2-OE1 3.09Å; N176-Q180 PolarHBondContact OD1-N 3.18Å; N176-Q180 PolarHBondContact OD1-O 3.24Å; N176-M182 HydrophobicContact CB-CG 3.9Å; N176-M182 HydrophobicContact CB-SD 3.88Å | ||
| 177 | K | 98.1 | Very high | 98 | Very high | 154 Ų | 154 | 49.6 Ų | 49.6 | 67% | 0.67 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -19 | -179.8 | -69.5 | -179.7 | 179.4 | -178.5 | 0 | 111.8 | Q79 Y81 G179 | Q79-K177 VanDerWaalsContact NE2-CG 3.33Å; Y81-K177 VanDerWaalsContact CE2-O 3.27Å; Y81-K177 WeakPolarHBondContact CE2-O 3.16Å; Y81-K177 PolarHBondContact OH-O 2.75Å; Y81-K177 VanDerWaalsContact OH-O 3.11Å; K177-G179 VanDerWaalsContact C-N 3.33Å |
| 178 | E | 98.1 | Very high | 98.2 | Very high | 120 Ų | 120 | 50.5 Ų | 50.5 | 56% | 0.561 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1.4 | -179.1 | -57.3 | 67.5 | -145.6 | 0 | 0 | 111.9 | N176 Q180 | N176-E178 WeakPolarHBondContact CB-OE2 3.46Å; N176-E178 PolarHBondContact ND2-OE2 3.25Å; N176-E178 VanDerWaalsContact ND2-OE2 3.16Å; N176-E178 WeakPolarHBondContact OD1-CA 3.43Å; N176-E178 WeakPolarHBondContact OD1-CB 3.36Å; N176-E178 PolarHBondContact OD1-N 3.44Å; N176-E178 PolarHBondContact OD1-OE2 3.44Å; E178-Q180 HydrophobicContact CB-CG 4.41Å |
| 179 | G | 97.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 82.8 | 4.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D92 G93 N176 K177 | D92-G179 CarbonylContact C-O 3.53Å; G93-G179 VanDerWaalsContact CA-O 3.29Å; G93-G179 WeakPolarHBondContact CA-O 3.47Å; G93-G179 PolarHBondContact N-O 3.43Å; N176-G179 PolarHBondContact OD1-N 3.38Å; K177-G179 VanDerWaalsContact C-N 3.33Å |
| 180 | Q | 98.3 | Very high | 98.2 | Very high | 116 Ų | 116 | 54 Ų | 54 | 54% | 0.542 | 26% | 0.255 | S | S | . | . | B | Isolated β-bridge | trans | -86.2 | 143.9 | -177.4 | -53.3 | 171.7 | -42.7 | 0 | 0 | 112 | L175 N176 E178 M182 | L175-Q180 CarbonylContact C-O 3.47Å; L175-Q180 VanDerWaalsContact CA-O 3.3Å; L175-Q180 WeakPolarHBondContact CA-O 3.48Å; N176-Q180 PolarHBondContact N-O 3.38Å; N176-Q180 PolarHBondContact ND2-OE1 3.09Å; N176-Q180 PolarHBondContact OD1-N 3.18Å; N176-Q180 PolarHBondContact OD1-O 3.24Å; E178-Q180 HydrophobicContact CB-CG 4.41Å; Q180-M182 PolarHBondContact O-N 3.38Å |
| 181 | A | 98.2 | Very high | 98.2 | Very high | 40 Ų | 40 | 59.1 Ų | 59.1 | 33% | 0.331 | 28% | 0.276 | S | S | . | . | B | Isolated β-bridge | trans | -61.5 | 132.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L91 L133 L175 | L91-A181 HydrophobicContact CB-CB 4.29Å; L91-A181 VanDerWaalsContact O-CB 3.3Å; L91-A181 WeakPolarHBondContact O-CB 3.39Å; L133-A181 HydrophobicContact CD1-CB 4.25Å; L175-A181 HydrophobicContact CD2-CB 4.36Å |
| 182 | M | 98.3 | Very high | 98.2 | Very high | 47 Ų | 47 | 59.9 Ų | 59.9 | 23% | 0.232 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -100.8 | 148.3 | -178.4 | -66.3 | -178.2 | 69.1 | 0 | 0 | 112.1 | G174 N176 Q180 G184 R186 V187 A193 | G174-M182 PolarHBondContact O-N 3.09Å; N176-M182 HydrophobicContact CB-CG 3.9Å; N176-M182 HydrophobicContact CB-SD 3.88Å; Q180-M182 PolarHBondContact O-N 3.38Å; M182-G184 PolarHBondContact O-N 3.44Å; M182-R186 HydrophobicContact CE-CB 4.2Å; M182-V187 HydrophobicContact CB-CG2 3.5Å; M182-V187 VanDerWaalsContact CB-CG2 3.5Å; M182-V187 HydrophobicContact CE-CG2 4.38Å; M182-V187 HydrophobicContact CG-CG2 4.4Å; M182-V187 HydrophobicContact SD-CG2 4.17Å; M182-A193 HydrophobicContact SD-CB 3.81Å |
| 183 | K | 98.3 | Very high | 98.2 | Very high | 49 Ų | 49 | 59.8 Ų | 59.8 | 21% | 0.213 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 127.2 | 167.1 | -161 | 175.9 | -179 | 158.1 | 0 | 109.9 | E130 G131 Y132 N185 R186 V187 | E130-K183 WeakPolarHBondContact O-CE 3.43Å; E130-K183 PolarHBondContact O-NZ 3.44Å; G131-K183 CarbonylContact O-C 3.52Å; G131-K183 WeakPolarHBondContact O-CA 3.32Å; G131-K183 WeakPolarHBondContact O-CG 3.39Å; Y132-K183 HydrophobicContact CD1-CG 4.31Å; Y132-K183 HydrophobicContact CE1-CD 4.02Å; Y132-K183 HydrophobicContact CE1-CG 4.26Å; Y132-K183 HydrophobicContact CE2-CD 4.23Å; Y132-K183 VanDerWaalsContact CE2-NZ 3.29Å; Y132-K183 PolarHBondContact OH-NZ 3.15Å; K183-N185 WeakPolarHBondContact CD-OD1 3.42Å; K183-N185 VanDerWaalsContact CG-OD1 3.23Å; K183-N185 WeakPolarHBondContact CG-OD1 3.45Å; K183-N185 PolarHBondContact O-N 3Å; K183-N185 VanDerWaalsContact O-N 3.12Å; K183-R186 HydrophobicContact CB-CG 4.27Å; K183-R186 WeakPolarHBondContact O-CA 3.41Å; K183-R186 WeakPolarHBondContact O-CB 3.32Å; K183-R186 PolarHBondContact O-N 3.14Å; K183-V187 PolarHBondContact O-N 3.24Å |
| 184 | G | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -29.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G131 W171 F172 M182 R186 V187 | G131-G184 PolarHBondContact O-N 2.91Å; W171-G184 VanDerWaalsContact CA-O 3.31Å; W171-G184 WeakPolarHBondContact CA-O 3.46Å; F172-G184 PolarHBondContact N-O 3.16Å; F172-G184 VanDerWaalsContact N-O 3.08Å; F172-G184 VanDerWaalsContact O-CA 3.26Å; F172-G184 WeakPolarHBondContact O-CA 3.49Å; M182-G184 PolarHBondContact O-N 3.44Å; G184-R186 VanDerWaalsContact C-N 3.3Å; G184-R186 PolarHBondContact O-N 2.75Å; G184-V187 PolarHBondContact O-N 3.32Å |
| 185 | N | 97.9 | Very high | 98.2 | Very high | 45 Ų | 45 | 59.8 Ų | 59.8 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -21.1 | 174.9 | 70.6 | -21.6 | 0 | 0 | 0 | 113.7 | R169 W171 K183 | R169-N185 PolarHBondContact NH1-O 3.04Å; R169-N185 PolarHBondContact NH2-O 3.14Å; W171-N185 HydrophobicContact CD2-CB 3.8Å; W171-N185 VanDerWaalsContact CE2-CB 3.47Å; W171-N185 HydrophobicContact CE3-CB 4.49Å; W171-N185 HydrophobicContact CG-CB 4.03Å; W171-N185 HydrophobicContact CZ2-CB 3.89Å; K183-N185 WeakPolarHBondContact CD-OD1 3.42Å; K183-N185 VanDerWaalsContact CG-OD1 3.23Å; K183-N185 WeakPolarHBondContact CG-OD1 3.45Å; K183-N185 PolarHBondContact O-N 3Å; K183-N185 VanDerWaalsContact O-N 3.12Å |
| 186 | R | 98 | Very high | 98.2 | Very high | 185 Ų | 185 | 59.8 Ų | 59.8 | 70% | 0.698 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -19.9 | 175.8 | -61.7 | -175 | 175.8 | -166.5 | -1.5 | 112.7 | M182 K183 G184 | M182-R186 HydrophobicContact CE-CB 4.2Å; K183-R186 HydrophobicContact CB-CG 4.27Å; K183-R186 WeakPolarHBondContact O-CA 3.41Å; K183-R186 WeakPolarHBondContact O-CB 3.32Å; K183-R186 PolarHBondContact O-N 3.14Å; G184-R186 VanDerWaalsContact C-N 3.3Å; G184-R186 PolarHBondContact O-N 2.75Å |
| 187 | V | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | trans | -80.8 | 128.6 | 177.2 | -174 | 0 | 0 | 0 | 0 | 109.6 | F172 M182 K183 G184 A193 A194 | F172-V187 HydrophobicContact CB-CB 3.98Å; F172-V187 HydrophobicContact CB-CG1 3.66Å; M182-V187 HydrophobicContact CB-CG2 3.5Å; M182-V187 VanDerWaalsContact CB-CG2 3.5Å; M182-V187 HydrophobicContact CE-CG2 4.38Å; M182-V187 HydrophobicContact CG-CG2 4.4Å; M182-V187 HydrophobicContact SD-CG2 4.17Å; K183-V187 PolarHBondContact O-N 3.24Å; G184-V187 PolarHBondContact O-N 3.32Å; V187-A193 HydrophobicContact CG1-CB 4.41Å; V187-A194 HydrophobicContact CG1-CB 3.52Å | ||
| 188 | K | 98.2 | Very high | 98.2 | Very high | 108 Ų | 108 | 55 Ų | 55 | 47% | 0.47 | 27% | 0.269 | S | S | . | . | trans | -111.9 | 137.7 | -179.9 | -66.8 | -178.4 | 179.4 | -178.7 | 0 | 110.1 | T190 K191 A194 | K188-T190 PolarHBondContact O-N 2.89Å; K188-T190 VanDerWaalsContact O-N 3.08Å; K188-K191 HydrophobicContact CB-CB 4.2Å; K188-K191 HydrophobicContact CB-CG 3.77Å; K188-K191 HydrophobicContact CD-CG 4.36Å; K188-K191 PolarHBondContact O-N 2.99Å; K188-A194 WeakPolarHBondContact O-CB 3.46Å | ||
| 189 | K | 97.8 | Very high | 98.1 | Very high | 96 Ų | 96 | 53.1 Ų | 53.1 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -35.3 | 177.4 | 172.7 | 168.3 | 178 | -176 | 0 | 114.4 | F150 I156 F172 H195 | F150-K189 HydrophobicContact CD2-CD 4.36Å; F150-K189 HydrophobicContact CD2-CG 3.79Å; F150-K189 HydrophobicContact CE2-CG 4.09Å; I156-K189 HydrophobicContact CD1-CB 4.31Å; I156-K189 HydrophobicContact CD1-CD 3.61Å; I156-K189 HydrophobicContact CD1-CG 3.55Å; F172-K189 HydrophobicContact CE1-CB 4.3Å; F172-K189 HydrophobicContact CE2-CB 3.92Å; F172-K189 HydrophobicContact CZ-CB 3.67Å; F172-K189 HydrophobicContact CZ-CD 4.49Å; F172-K189 HydrophobicContact CZ-CG 4.44Å; K189-H195 PolarHBondContact O-NE2 2.75Å |
| 190 | T | 97.4 | Very high | 98.1 | Very high | 94 Ų | 94 | 57.1 Ų | 57.1 | 58% | 0.577 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -3 | -176.8 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | F150 K188 | F150-T190 HydrophobicContact CE2-CG2 4.19Å; F150-T190 HydrophobicContact CZ-CG2 4.34Å; K188-T190 PolarHBondContact O-N 2.89Å; K188-T190 VanDerWaalsContact O-N 3.08Å |
| 191 | K | 98.2 | Very high | 98 | Very high | 116 Ų | 116 | 56.6 Ų | 56.6 | 50% | 0.504 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -101.3 | 140.9 | -176.7 | -66.6 | -65.4 | -175.6 | -178.7 | 0 | 110 | K188 A193 A194 H195 | K188-K191 HydrophobicContact CB-CB 4.2Å; K188-K191 HydrophobicContact CB-CG 3.77Å; K188-K191 HydrophobicContact CD-CG 4.36Å; K188-K191 PolarHBondContact O-N 2.99Å; K191-A193 PolarHBondContact O-N 3.22Å; K191-A194 PolarHBondContact O-N 3.08Å; K191-H195 PolarHBondContact O-CD2 3.01Å; K191-H195 PolarHBondContact O-NE2 3.12Å |
| 192 | P | 98.3 | Very high | 97.9 | Very high | 41 Ų | 41 | 60.3 Ų | 60.3 | 27% | 0.266 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -49.5 | -31.3 | 179 | -33.2 | 38.5 | 0 | 0 | 0 | 115.5 | R78 Q79 A194 H195 | R78-P192 HydrophobicContact CB-CB 4.37Å; R78-P192 HydrophobicContact CG-CB 4.11Å; Q79-P192 VanDerWaalsContact OE1-CB 3.24Å; P192-A194 PolarHBondContact O-N 2.99Å; P192-A194 VanDerWaalsContact O-N 3.12Å; P192-H195 WeakPolarHBondContact O-CB 3.41Å; P192-H195 PolarHBondContact O-N 3.3Å |
| 193 | A | 98.5 | Very high | 97.8 | Very high | 10 Ų | 10 | 62.4 Ų | 62.4 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -51.3 | -33.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G174 L175 M182 V187 K191 | G174-A193 WeakPolarHBondContact CA-O 3.33Å; L175-A193 PolarHBondContact N-O 2.93Å; L175-A193 VanDerWaalsContact O-CA 3.29Å; L175-A193 WeakPolarHBondContact O-CA 3.41Å; L175-A193 WeakPolarHBondContact O-CB 3.45Å; M182-A193 HydrophobicContact SD-CB 3.81Å; V187-A193 HydrophobicContact CG1-CB 4.41Å; K191-A193 PolarHBondContact O-N 3.22Å |
| 194 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -86.9 | -9.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I156 F172 V187 K188 K191 P192 F196 | I156-A194 HydrophobicContact CG2-CB 4.4Å; I156-A194 WeakPolarHBondContact CG2-O 3.44Å; F172-A194 HydrophobicContact CB-CB 4.41Å; V187-A194 HydrophobicContact CG1-CB 3.52Å; K188-A194 WeakPolarHBondContact O-CB 3.46Å; K191-A194 PolarHBondContact O-N 3.08Å; P192-A194 PolarHBondContact O-N 2.99Å; P192-A194 VanDerWaalsContact O-N 3.12Å; A194-F196 WeakPolarHBondContact O-CD2 3.37Å |
| 195 | H | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.333 | C | S | . | . | trans | -95.2 | 115.8 | -164.9 | -65.7 | -169.6 | 0 | 0 | 0 | 110.2 | C77 R78 F150 Y154 K189 K191 P192 | C77-H195 WeakPolarHBondContact CA-O 3.36Å; R78-H195 HydrophobicContact CB-CB 3.77Å; R78-H195 PolarHBondContact N-O 3.01Å; R78-H195 PolarHBondContact NH1-CE1 2.89Å; R78-H195 PolarHBondContact NH1-ND1 2.67Å; F150-H195 AromaticContact CD1-CE1 3.26Å; F150-H195 WeakPolarHBondContact CD1-CE1 3.29Å; F150-H195 AromaticContact CD1-ND1 3.93Å; F150-H195 AromaticContact CD1-NE2 3.39Å; F150-H195 WeakPolarHBondContact CD1-NE2 3.19Å; F150-H195 AromaticContact CE1-CE1 3.22Å; F150-H195 WeakPolarHBondContact CE1-CE1 3.43Å; F150-H195 AromaticContact CE1-NE2 3.49Å; F150-H195 WeakPolarHBondContact CE1-NE2 3.47Å; Y154-H195 HydrophobicContact CD1-CB 3.64Å; Y154-H195 HydrophobicContact CD2-CB 4.15Å; Y154-H195 AromaticContact CD2-CG 3.93Å; Y154-H195 AromaticContact CD2-ND1 3.33Å; Y154-H195 VanDerWaalsContact CD2-ND1 3.33Å; Y154-H195 WeakPolarHBondContact CD2-ND1 3.13Å; Y154-H195 HydrophobicContact CE1-CB 4.22Å; Y154-H195 AromaticContact CE2-ND1 3.66Å; Y154-H195 HydrophobicContact CG-CB 3.59Å; Y154-H195 AromaticContact CG-CG 3.82Å; Y154-H195 AromaticContact CG-ND1 3.72Å; K189-H195 PolarHBondContact O-NE2 2.75Å; K191-H195 PolarHBondContact O-CD2 3.01Å; K191-H195 PolarHBondContact O-NE2 3.12Å; P192-H195 WeakPolarHBondContact O-CB 3.41Å; P192-H195 PolarHBondContact O-N 3.3Å | ||
| 196 | F | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 147.8 | 175.9 | -66.2 | -93.7 | 0 | 0 | 0 | 111.1 | L75 Y76 C77 L83 V155 Y157 L173 L175 A194 | L75-F196 HydrophobicContact CB-CD1 4Å; Y76-F196 CarbonylContact O-C 3.49Å; Y76-F196 WeakPolarHBondContact O-CA 3.36Å; C77-F196 HydrophobicContact CB-CD1 3.92Å; C77-F196 HydrophobicContact CB-CE1 3.67Å; C77-F196 HydrophobicContact CB-CZ 4.3Å; L83-F196 HydrophobicContact CB-CE1 4.48Å; V155-F196 PolarHBondContact N-O 2.89Å; V155-F196 PolarHBondContact O-N 2.75Å; Y157-F196 HydrophobicContact CD2-CD2 4.23Å; Y157-F196 HydrophobicContact CE2-CB 4.15Å; Y157-F196 HydrophobicContact CE2-CG 4.44Å; L173-F196 HydrophobicContact CD2-CE2 4.31Å; L173-F196 HydrophobicContact CD2-CZ 4.26Å; L173-F196 HydrophobicContact CG-CE2 3.95Å; L173-F196 HydrophobicContact CG-CZ 3.91Å; L175-F196 HydrophobicContact CG-CZ 4.48Å; A194-F196 WeakPolarHBondContact O-CD2 3.37Å |
| 197 | L | 98 | Very high | 97.1 | Very high | 53 Ų | 53 | 64.6 Ų | 64.6 | 28% | 0.277 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 105.8 | 168.7 | -176 | 66.1 | 0 | 0 | 0 | 107.8 | Y76 K199 | Y76-L197 PolarHBondContact N-O 2.84Å; Y76-L197 PolarHBondContact O-N 3.42Å; L197-K199 PolarHBondContact O-N 3.04Å |
| 198 | P | 97.5 | Very high | 96.8 | Very high | 31 Ų | 31 | 69.3 Ų | 69.3 | 20% | 0.201 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 132.2 | 171 | -21.1 | 33.4 | 0 | 0 | 0 | 110 | R74 L75 V155 P200 | R74-P198 CarbonylContact O-C 3.56Å; R74-P198 WeakPolarHBondContact O-CA 3.45Å; L75-P198 HydrophobicContact CD2-CB 4.17Å; L75-P198 HydrophobicContact CD2-CG 4.15Å; V155-P198 HydrophobicContact CB-CG 4.17Å; V155-P198 HydrophobicContact CG2-CG 3.84Å; P198-P200 WeakPolarHBondContact O-CD 3.34Å |
| 199 | K | 97.2 | Very high | 96.5 | Very high | 82 Ų | 82 | 64.9 Ų | 64.9 | 36% | 0.357 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 85.3 | 170.4 | -60.1 | -163.9 | -172.4 | 178.4 | 0 | 108.2 | T73 R74 Y82 L197 L201 | T73-K199 PolarHBondContact OG1-N 3.32Å; T73-K199 PolarHBondContact OG1-O 3.49Å; T73-K199 VanDerWaalsContact OG1-O 3.12Å; R74-K199 HydrophobicContact CB-CB 4.38Å; R74-K199 PolarHBondContact N-O 2.79Å; R74-K199 PolarHBondContact O-N 3.47Å; Y82-K199 HydrophobicContact CE1-CD 3.96Å; Y82-K199 PolarHBondContact OH-NZ 2.81Å; L197-K199 PolarHBondContact O-N 3.04Å; K199-L201 PolarHBondContact O-N 2.66Å |
| 200 | P | 96.7 | Very high | 96.2 | Very high | 86 Ų | 86 | 64.2 Ų | 64.2 | 56% | 0.558 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 137.4 | -178.9 | -21.1 | 32.9 | 0 | 0 | 0 | 110.7 | I71 P198 | I71-P200 HydrophobicContact CD1-CB 4.17Å; I71-P200 HydrophobicContact CD1-CG 4.03Å; P198-P200 WeakPolarHBondContact O-CD 3.34Å |
| 201 | L | 96 | Very high | 96.1 | Very high | 105 Ų | 105 | 64.3 Ų | 64.3 | 55% | 0.55 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -56.5 | 173.1 | -173.1 | 67.5 | 0 | 0 | 0 | 109.6 | V72 L103 K199 | V72-L201 HydrophobicContact CG1-CD2 4.44Å; V72-L201 PolarHBondContact O-N 3.38Å; L103-L201 HydrophobicContact CD2-CD2 4.17Å; K199-L201 PolarHBondContact O-N 2.66Å |
| 202 | E | 96.4 | Very high | 95.8 | Very high | 118 Ų | 118 | 61.5 Ų | 61.5 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 164.6 | -179.8 | 62 | 177.5 | -169.7 | 0 | 0 | 112 | I71 V72 | I71-E202 CarbonylContact C-O 3.49Å; I71-E202 WeakPolarHBondContact CA-O 3.36Å; V72-E202 HydrophobicContact CB-CG 3.9Å; V72-E202 HydrophobicContact CG2-CG 3.96Å; V72-E202 PolarHBondContact N-O 2.89Å; V72-E202 PolarHBondContact O-N 3.28Å |
| 203 | V | 96.8 | Very high | 95.2 | Very high | 90 Ų | 90 | 65 Ų | 65 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 134.1 | 173.1 | 174.5 | 0 | 0 | 0 | 0 | 108.2 | K69 I71 | K69-V203 HydrophobicContact CD-CG1 4.25Å; K69-V203 HydrophobicContact CG-CG1 3.79Å; I71-V203 HydrophobicContact CG2-CG2 4.21Å |
| 204 | A | 95.2 | Very high | 94.2 | Very high | 23 Ų | 23 | 68.3 Ų | 68.3 | 19% | 0.19 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 149.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G70 V72 Y206 | G70-A204 PolarHBondContact N-O 3.01Å; G70-A204 PolarHBondContact O-N 2.79Å; G70-A204 VanDerWaalsContact O-N 3.1Å; V72-A204 HydrophobicContact CG2-CB 4.31Å; A204-Y206 HydrophobicContact CB-CE1 4.39Å; A204-Y206 HydrophobicContact CB-CE2 3.76Å; A204-Y206 WeakPolarHBondContact O-CD2 3.22Å; A204-Y206 WeakPolarHBondContact O-CE2 3.26Å |
| 205 | M | 95 | Very high | 92.8 | Very high | 101 Ų | 101 | 71.2 Ų | 71.2 | 50% | 0.498 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 126.3 | 174.1 | -60.7 | -57.2 | -62.3 | 0 | 0 | 109 | Q67 L68 K69 | Q67-M205 HydrophobicContact CB-CE 3.43Å; Q67-M205 VanDerWaalsContact CB-CE 3.43Å; L68-M205 WeakPolarHBondContact O-CA 3.49Å; K69-M205 HydrophobicContact CB-CE 4.28Å; K69-M205 HydrophobicContact CB-SD 3.89Å; K69-M205 HydrophobicContact CG-SD 3.98Å |
| 206 | Y | 94.2 | Very high | 90.8 | Very high | 29 Ų | 29 | 77.3 Ų | 77.3 | 11% | 0.114 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 143.4 | -179.9 | -59.5 | -82.9 | 0 | 0 | 0 | 109.7 | Q67 L68 I71 V72 N105 I107 A204 | Q67-Y206 CarbonylContact C-O 3.54Å; Q67-Y206 WeakPolarHBondContact CA-O 3.39Å; L68-Y206 PolarHBondContact N-O 2.81Å; L68-Y206 PolarHBondContact O-N 3.42Å; I71-Y206 PolarHBondContact O-OH 2.78Å; V72-Y206 WeakPolarHBondContact CG2-OH 3.33Å; N105-Y206 HydrophobicContact CB-CE1 3.69Å; N105-Y206 WeakPolarHBondContact CB-OH 3.39Å; N105-Y206 VanDerWaalsContact CG-CE1 3.48Å; N105-Y206 PolarHBondContact OD1-OH 3.02Å; I107-Y206 HydrophobicContact CD1-CD1 3.94Å; I107-Y206 HydrophobicContact CD1-CE1 4.4Å; I107-Y206 HydrophobicContact CD1-CG 4.09Å; I107-Y206 HydrophobicContact CG1-CD1 4.04Å; I107-Y206 HydrophobicContact CG1-CD2 3.99Å; I107-Y206 HydrophobicContact CG1-CE1 4.3Å; I107-Y206 HydrophobicContact CG1-CE2 4.25Å; I107-Y206 HydrophobicContact CG1-CG 3.87Å; I107-Y206 HydrophobicContact CG2-CD2 4.43Å; I107-Y206 HydrophobicContact CG2-CG 4.32Å; A204-Y206 HydrophobicContact CB-CE1 4.39Å; A204-Y206 HydrophobicContact CB-CE2 3.76Å; A204-Y206 WeakPolarHBondContact O-CD2 3.22Å; A204-Y206 WeakPolarHBondContact O-CE2 3.26Å |
| 207 | R | 93.3 | Very high | 88.4 | Confident | 172 Ų | 172 | 81.6 Ų | 81.6 | 65% | 0.649 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 143.3 | 163 | -171.5 | 177.2 | -175.8 | -176.2 | 3.4 | 108.8 | D65 P209 | D65-R207 IonicContact OD1-NH2 4Å; R207-P209 VanDerWaalsContact O-CD 3.31Å; R207-P209 WeakPolarHBondContact O-CD 3.27Å |
| 208 | E | 91.2 | Very high | 85.7 | Confident | 100 Ų | 100 | 84.5 Ų | 84.5 | 47% | 0.467 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 121.6 | 171.4 | -174.4 | 164.6 | -166.5 | 0 | 0 | 110.8 | P66 L68 | P66-E208 PolarHBondContact O-N 3.04Å; L68-E208 HydrophobicContact CD1-CB 4Å; L68-E208 HydrophobicContact CD1-CG 4.12Å; L68-E208 HydrophobicContact CG-CB 4.3Å |
| 209 | P | 92.6 | Very high | 83.1 | Confident | 16 Ų | 16 | 88.8 Ų | 88.8 | 10% | 0.104 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 138.8 | 179.2 | -23.8 | 34.8 | 0 | 0 | 0 | 111.5 | I107 V109 F139 R207 L211 | I107-P209 HydrophobicContact CG2-CG 4.47Å; V109-P209 HydrophobicContact CG1-CG 4.49Å; F139-P209 HydrophobicContact CB-CB 3.73Å; F139-P209 HydrophobicContact CD1-CB 3.55Å; F139-P209 HydrophobicContact CD1-CG 4.5Å; F139-P209 HydrophobicContact CD2-CB 4.24Å; F139-P209 HydrophobicContact CE1-CB 4.16Å; F139-P209 HydrophobicContact CG-CB 3.57Å; F139-P209 HydrophobicContact CG-CG 4.46Å; R207-P209 VanDerWaalsContact O-CD 3.31Å; R207-P209 WeakPolarHBondContact O-CD 3.27Å; P209-L211 PolarHBondContact O-N 3.03Å |
| 210 | S | 92.2 | Very high | 80.3 | Confident | 81 Ų | 81 | 93.8 Ų | 93.8 | 57% | 0.566 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 121 | 177.4 | -60 | 0 | 0 | 0 | 0 | 110 | H212 | S210-H212 PolarHBondContact O-CE1 3.32Å; S210-H212 PolarHBondContact O-ND1 3.48Å |
| 211 | L | 93.7 | Very high | 77.7 | Confident | 96 Ų | 96 | 95.6 Ų | 95.6 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | B | Isolated β-bridge | trans | -77.4 | 121.8 | -178.5 | -172.1 | 67.1 | 0 | 0 | 0 | 110.4 | F139 P141 P209 | F139-L211 HydrophobicContact CD1-CB 4.43Å; F139-L211 HydrophobicContact CD1-CD1 3.91Å; F139-L211 HydrophobicContact CE1-CD1 3.81Å; F139-L211 WeakPolarHBondContact O-CA 3.48Å; P141-L211 HydrophobicContact CG-CD1 4.08Å; P209-L211 PolarHBondContact O-N 3.03Å |
| 212 | H | 93.4 | Very high | 74.9 | Confident | 57 Ų | 57 | 94.1 Ų | 94.1 | 26% | 0.264 | 53% | 0.533 | S | S | . | . | trans | -109.2 | 155 | 176 | -61.5 | 73.4 | 0 | 0 | 0 | 110.5 | L138 F139 T140 P141 S210 | L138-H212 HydrophobicContact CB-CB 4.24Å; L138-H212 HydrophobicContact CD1-CB 4.19Å; F139-H212 PolarHBondContact O-N 2.94Å; T140-H212 HydrophobicContact CG2-CB 4.47Å; P141-H212 WeakPolarHBondContact CD-O 3.41Å; S210-H212 PolarHBondContact O-CE1 3.32Å; S210-H212 PolarHBondContact O-ND1 3.48Å | ||
| 213 | D | 85.8 | Confident | 72.5 | Confident | 116 Ų | 116 | 95 Ų | 95 | 62% | 0.62 | 55% | 0.546 | S | S | * | . | trans | -74.4 | 150.8 | 176.4 | -75.9 | -39 | 0 | 0 | 0 | 111.7 | G215 | D213-G215 PolarHBondContact O-N 3.38Š| ||
| 214 | V | 76.9 | Confident | 70 | Confident | 78 Ų | 78 | 96.3 Ų | 96.3 | 47% | 0.473 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.5 | 98.5 | 176.5 | -174.5 | 0 | 0 | 0 | 0 | 107.8 | P141 E142 | P141-V214 HydrophobicContact CB-CG2 4.49Å; P141-V214 HydrophobicContact CG-CG2 4.41Å; E142-V214 HydrophobicContact CG-CG1 4.36Å; E142-V214 HydrophobicContact CG-CG2 3.95Å |
| 215 | G | 68.6 | Low | 67.6 | Low | 61 Ų | 61 | 101.4 Ų | 101.4 | 63% | 0.629 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 138.9 | -7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | D213 T217 | D213-G215 PolarHBondContact O-N 3.38Å; G215-T217 PolarHBondContact O-N 3.32Å |
| 216 | E | 56.3 | Low | 65.1 | Low | 128 Ų | 128 | 102 Ų | 102 | 60% | 0.598 | 60% | 0.599 | S | S | * | * | trans | -78.8 | 6.3 | 179.3 | -75.1 | -172.7 | 142.4 | 0 | 0 | 114.7 | V218 | E216-V218 PolarHBondContact O-N 3.11Š| ||
| 217 | T | 49.1 | Very low | 62.5 | Low | 90 Ų | 90 | 110.4 Ų | 110.4 | 55% | 0.552 | 64% | 0.637 | S | S | * | * | trans | -96.9 | 24.7 | -173.8 | 51.9 | 0 | 0 | 0 | 0 | 115.6 | L138 G215 | L138-T217 HydrophobicContact CD1-CG2 3.59Å; L138-T217 HydrophobicContact CG-CG2 4.09Å; G215-T217 PolarHBondContact O-N 3.32Å | ||
| 218 | V | 42.3 | Very low | 60.3 | Low | 114 Ų | 114 | 108.2 Ų | 108.2 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | trans | -102.1 | 109.8 | 161.2 | -174.5 | 0 | 0 | 0 | 0 | 107.9 | E216 K220 | E216-V218 PolarHBondContact O-N 3.11Å; V218-K220 PolarHBondContact O-N 2.95Å | ||
| 219 | P | 42.4 | Very low | 58.1 | Low | 121 Ų | 121 | 109.8 Ų | 109.8 | 79% | 0.786 | 66% | 0.664 | S | S | * | * | trans | -61.7 | 104.6 | 163.6 | -6.8 | 20.8 | 0 | 0 | 0 | 106.7 | ||||
| 220 | K | 39.1 | Very low | 55.8 | Low | 188 Ų | 188 | 114.7 Ų | 114.7 | 82% | 0.817 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 125.7 | 162.9 | -84 | -178.9 | 176.3 | 173.3 | 0 | 106.5 | V218 G222 | V218-K220 PolarHBondContact O-N 2.95Å; K220-G222 PolarHBondContact O-N 3.24Å |
| 221 | P | 40.6 | Very low | 53.5 | Low | 123 Ų | 123 | 115.3 Ų | 115.3 | 80% | 0.799 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 128.7 | 171.2 | 24.3 | -30.1 | 0 | 0 | 0 | 107.9 | V223 | P221-V223 PolarHBondContact O-N 3.41Š|
| 222 | G | 38.3 | Very low | 51.2 | Low | 75 Ų | 75 | 116.6 Ų | 116.6 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -46 | 119.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K220 T224 | K220-G222 PolarHBondContact O-N 3.24Å; G222-T224 PolarHBondContact O-N 2.97Å |
| 223 | V | 45.7 | Very low | 48.9 | Very low | 137 Ų | 137 | 118.2 Ų | 118.2 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.7 | 151.3 | 174.7 | 0 | 0 | 0 | 0 | 106.8 | P221 | P221-V223 PolarHBondContact O-N 3.41Š|
| 224 | T | 43.3 | Very low | 47.3 | Very low | 116 Ų | 116 | 121 Ų | 121 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 133.1 | 175.5 | 47.5 | 0 | 0 | 0 | 0 | 112.4 | G222 S226 | G222-T224 PolarHBondContact O-N 2.97Å; T224-S226 PolarHBondContact O-N 3.02Å |
| 225 | P | 45.7 | Very low | 46.3 | Very low | 131 Ų | 131 | 124.9 Ų | 124.9 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -79.1 | 108.5 | 170 | 25 | -19.4 | 0 | 0 | 0 | 109.6 | ||||
| 226 | S | 42.1 | Very low | 45.5 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -68.4 | 123.2 | 167.7 | 46.1 | 0 | 0 | 0 | 0 | 111.1 | T224 | T224-S226 PolarHBondContact O-N 3.02Š| ||
| 227 | K | 40.5 | Very low | 45 | Very low | 206 Ų | 206 | 127.2 Ų | 127.2 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | trans | -3.7 | 124.2 | 161.7 | -74 | 172.2 | 172.8 | 174.2 | 0 | 117.4 | ||||
| 228 | S | 46.3 | Very low | 44.8 | Very low | 125 Ų | 125 | 127 Ų | 127 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -120.2 | 134.5 | 148.5 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 229 | T | 44.5 | Very low | 45.4 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | trans | -87.7 | 146 | -174 | -50.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 230 | S | 46.1 | Very low | 45.7 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | 138.8 | 137.5 | 158 | 59.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 231 | A | 43.6 | Very low | 46.7 | Very low | 95 Ų | 95 | 129 Ų | 129 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | cis | -155 | 154.6 | 1.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 232 | S | 44.2 | Very low | 47.3 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -26.7 | 138.5 | 169.1 | -33.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 233 | A | 45.9 | Very low | 47.8 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | trans | -163.1 | 104.1 | 141.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 234 | I | 51.8 | Low | 48 | Very low | 173 Ų | 173 | 133.9 Ų | 133.9 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | 70.6 | 138.9 | 131.3 | -53 | 171.1 | 0 | 0 | 0 | 120.5 | ||||
| 235 | M | 55.3 | Low | 48.2 | Very low | 160 Ų | 160 | 138 Ų | 138 | 79% | 0.788 | 83% | 0.83 | S | S | * | * | trans | -91.3 | -178.9 | -162.2 | -60.9 | -171.6 | -72.1 | 0 | 0 | 116.1 | ||||
| 236 | N | 53.2 | Low | 48.8 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | trans | 90.9 | 129.7 | 162.8 | -55.5 | -28.4 | 0 | 0 | 0 | 114.6 | ||||
| 237 | G | 44.5 | Very low | 49.7 | Very low | 80 Ų | 80 | 142.7 Ų | 142.7 | 83% | 0.825 | 85% | 0.852 | S | S | * | * | cis | 159 | 152.6 | 6.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 238 | G | 45.7 | Very low | 50.1 | Low | 85 Ų | 85 | 139.5 Ų | 139.5 | 88% | 0.876 | 85% | 0.85 | S | S | * | * | trans | 127.5 | 115 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 239 | K | 54.7 | Low | 50.3 | Low | 206 Ų | 206 | 140.3 Ų | 140.3 | 90% | 0.896 | 85% | 0.848 | S | S | * | * | trans | -79.1 | 162.6 | 174.4 | -101.1 | 174.5 | 173.1 | 175.6 | 0 | 112.6 | ||||
| 240 | P | 47.9 | Very low | 50.6 | Low | 120 Ų | 120 | 140.6 Ų | 140.6 | 78% | 0.779 | 85% | 0.85 | S | S | * | * | trans | -89.8 | 154.3 | -175.8 | 36.9 | -33.6 | 0 | 0 | 0 | 113.7 | ||||
| 241 | V | 61.1 | Low | 50.9 | Low | 138 Ų | 138 | 141.9 Ų | 141.9 | 84% | 0.836 | 85% | 0.851 | S | S | * | * | trans | -137.5 | 124.9 | 171.7 | 148.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 242 | N | 51.9 | Low | 51.4 | Low | 129 Ų | 129 | 144.9 Ų | 144.9 | 69% | 0.69 | 86% | 0.855 | S | S | * | * | trans | 29.1 | 130.8 | 148.8 | -79.1 | -27.4 | 0 | 0 | 0 | 124.9 | ||||
| 243 | K | 50.2 | Low | 51.8 | Low | 188 Ų | 188 | 146.3 Ų | 146.3 | 82% | 0.817 | 86% | 0.855 | S | S | * | * | 35.7 | 125.4 | 122 | -65.8 | 175.7 | 176.1 | 171.6 | 0 | 118.7 | |||||
| 244 | S | 50 | Low | 52.3 | Low | 122 Ų | 122 | 150.3 Ų | 150.3 | 85% | 0.853 | 86% | 0.862 | S | S | * | * | -175.7 | 137.5 | 108.2 | 39.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 245 | K | 46.9 | Very low | 52.3 | Low | 203 Ų | 203 | 148.5 Ų | 148.5 | 88% | 0.883 | 86% | 0.86 | S | S | * | * | trans | -60.2 | 155.3 | 167.7 | -70.9 | 168.6 | 164.3 | 178.2 | 0 | 111.3 | ||||
| 246 | T | 58.5 | Low | 52 | Low | 132 Ų | 132 | 147.6 Ų | 147.6 | 81% | 0.81 | 87% | 0.866 | S | S | * | * | trans | -164.4 | 121.7 | 135.3 | -72.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 247 | T | 59.9 | Low | 51.9 | Low | 209 Ų | 209 | 146.5 Ų | 146.5 | 100% | 1.282 | 87% | 0.868 | S | S | * | * | trans | 46.3 | 0 | 165.4 | -0.8 | 0 | 0 | 0 | 0 | 120.9 |
Retrieved 247 of 247 residues in 292.7 ms
(Link to these results)