| 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 | 55.1 | Low | 61.3 | Low | 227 Ų | 227 | 109 Ų | 109 | 100% | 1.118 | 64% | 0.64 | S | S | * | * | 0 | -26 | 0 | -94.5 | 175 | -168.2 | 0 | 0 | 115.3 | A3 | M1-A3 PolarHBondContact O-N 3.45Š| |||
| 2 | A | 51.1 | Low | 62.2 | Low | 86 Ų | 86 | 110.6 Ų | 110.6 | 71% | 0.711 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.9 | -27.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | A4 | A2-A4 VanDerWaalsContact C-N 3.35Å; A2-A4 PolarHBondContact O-N 3.18Å |
| 3 | A | 56.1 | Low | 62.9 | Low | 80 Ų | 80 | 115.4 Ų | 115.4 | 66% | 0.661 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.2 | -24.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1 S7 | M1-A3 PolarHBondContact O-N 3.45Å; A3-S7 PolarHBondContact O-OG 3.34Å; A3-S7 VanDerWaalsContact O-OG 3.1Å |
| 4 | A | 60.4 | Low | 63.6 | Low | 74 Ų | 74 | 121.2 Ų | 121.2 | 61% | 0.612 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73 | -31.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A2 S7 | A2-A4 VanDerWaalsContact C-N 3.35Å; A2-A4 PolarHBondContact O-N 3.18Å; A4-S7 PolarHBondContact O-N 3.39Å |
| 5 | I | 59.6 | Low | 64.2 | Low | 116 Ų | 116 | 121.5 Ų | 121.5 | 60% | 0.595 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75.7 | -36.8 | -176.9 | -56.6 | 178 | 0 | 0 | 0 | 111.2 | S7 S8 | I5-S7 PolarHBondContact O-N 3.42Å; I5-S8 PolarHBondContact O-N 2.7Å; I5-S8 PolarHBondContact O-OG 2.87Å |
| 6 | A | 59.2 | Low | 64.2 | Low | 58 Ų | 58 | 117.7 Ų | 117.7 | 48% | 0.479 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.5 | -27.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I10 | A6-I10 WeakPolarHBondContact O-CG1 3.49Å |
| 7 | S | 61.7 | Low | 64.2 | Low | 77 Ų | 77 | 122.5 Ų | 122.5 | 54% | 0.538 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -76.3 | -30.3 | -177.7 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | A3 A4 I5 | A3-S7 PolarHBondContact O-OG 3.34Å; A3-S7 VanDerWaalsContact O-OG 3.1Å; A4-S7 PolarHBondContact O-N 3.39Å; I5-S7 PolarHBondContact O-N 3.42Å |
| 8 | S | 66 | Low | 64.2 | Low | 63 Ų | 63 | 123.6 Ų | 123.6 | 44% | 0.441 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -75.6 | -36.7 | 179.2 | 77.1 | 0 | 0 | 0 | 0 | 112.5 | I5 I10 R11 Q12 | I5-S8 PolarHBondContact O-N 2.7Å; I5-S8 PolarHBondContact O-OG 2.87Å; S8-I10 VanDerWaalsContact C-N 3.33Å; S8-I10 PolarHBondContact O-N 3.29Å; S8-R11 PolarHBondContact O-N 3.3Å; S8-Q12 PolarHBondContact O-N 3.21Å |
| 9 | L | 64.7 | Low | 64 | Low | 107 Ų | 107 | 126.8 Ų | 126.8 | 56% | 0.56 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.5 | -32.4 | 179.2 | -81.5 | 163 | 0 | 0 | 0 | 113.2 | K13 | L9-K13 PolarHBondContact O-N 3.1Å |
| 10 | I | 67 | Low | 63.8 | Low | 114 Ų | 114 | 127.9 Ų | 127.9 | 59% | 0.585 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.6 | -34.6 | 177.9 | -63.5 | 168.1 | 0 | 0 | 0 | 111.3 | A6 S8 R14 | A6-I10 WeakPolarHBondContact O-CG1 3.49Å; S8-I10 VanDerWaalsContact C-N 3.33Å; S8-I10 PolarHBondContact O-N 3.29Å; I10-R14 PolarHBondContact O-N 3.47Å |
| 11 | R | 73.5 | Confident | 63.4 | Low | 197 Ų | 197 | 129.4 Ų | 129.4 | 74% | 0.743 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.5 | -43 | 176 | -86.7 | -173.5 | 178.5 | -138.5 | 0.9 | 112.2 | S8 K13 R14 Q15 | S8-R11 PolarHBondContact O-N 3.3Å; R11-K13 VanDerWaalsContact C-N 3.34Å; R11-K13 PolarHBondContact O-N 2.94Å; R11-R14 PolarHBondContact O-N 3.31Å; R11-Q15 PolarHBondContact O-N 3.06Å; R11-Q15 VanDerWaalsContact O-N 3.17Å |
| 12 | Q | 71.5 | Confident | 63.4 | Low | 128 Ų | 128 | 122.4 Ų | 122.4 | 60% | 0.598 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63 | -39.9 | 178.1 | -75.6 | -176 | -17.4 | 0 | 0 | 112.1 | S8 R14 Q15 A16 | S8-Q12 PolarHBondContact O-N 3.21Å; Q12-R14 VanDerWaalsContact C-N 3.33Å; Q12-R14 PolarHBondContact O-N 2.92Å; Q12-Q15 PolarHBondContact O-N 2.85Å; Q12-A16 PolarHBondContact O-N 2.68Å; Q12-A16 VanDerWaalsContact O-N 3.16Å |
| 13 | K | 71.4 | Confident | 63.4 | Low | 173 Ų | 173 | 124.4 Ų | 124.4 | 75% | 0.752 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.3 | -25.7 | 179.7 | -154.5 | 168.9 | -175.1 | 173.3 | 0 | 113.5 | L9 R11 | L9-K13 PolarHBondContact O-N 3.1Å; R11-K13 VanDerWaalsContact C-N 3.34Å; R11-K13 PolarHBondContact O-N 2.94Å |
| 14 | R | 73.8 | Confident | 63 | Low | 197 Ų | 197 | 124.7 Ų | 124.7 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.9 | -40.6 | 170.5 | -88.9 | -175.9 | 172.2 | -176.5 | -2.3 | 112.4 | I10 R11 Q12 A16 R17 E18 | I10-R14 PolarHBondContact O-N 3.47Å; R11-R14 PolarHBondContact O-N 3.31Å; Q12-R14 VanDerWaalsContact C-N 3.33Å; Q12-R14 PolarHBondContact O-N 2.92Å; R14-A16 PolarHBondContact O-N 3.32Å; R14-R17 PolarHBondContact O-N 2.79Å; R14-E18 PolarHBondContact O-N 3.4Å |
| 15 | Q | 72.5 | Confident | 62.2 | Low | 125 Ų | 125 | 125.8 Ų | 125.8 | 58% | 0.584 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.6 | -33.1 | 179.7 | -72.2 | 179.8 | -13.7 | 0 | 0 | 113.2 | R11 Q12 R19 | R11-Q15 PolarHBondContact O-N 3.06Å; R11-Q15 VanDerWaalsContact O-N 3.17Å; Q12-Q15 PolarHBondContact O-N 2.85Å; Q15-R19 PolarHBondContact O-N 3.41Å |
| 16 | A | 62.9 | Low | 61.3 | Low | 61 Ų | 61 | 129.6 Ų | 129.6 | 50% | 0.504 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -66.6 | -35.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q12 R14 R19 E20 | Q12-A16 PolarHBondContact O-N 2.68Å; Q12-A16 VanDerWaalsContact O-N 3.16Å; R14-A16 PolarHBondContact O-N 3.32Å; A16-R19 PolarHBondContact O-N 3.44Å; A16-E20 PolarHBondContact O-N 3.04Å |
| 17 | R | 65.5 | Low | 60.1 | Low | 199 Ų | 199 | 131.8 Ų | 131.8 | 75% | 0.751 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -76.1 | -28.4 | -178.6 | -129.3 | 177.4 | -174.4 | -122.4 | 0.8 | 113.5 | R14 | R14-R17 PolarHBondContact O-N 2.79Å |
| 18 | E | 64.3 | Low | 58.8 | Low | 142 Ų | 142 | 135.1 Ų | 135.1 | 66% | 0.664 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -69.5 | -35.7 | 173.3 | -74.8 | -83.2 | 126.6 | 0 | 0 | 111.5 | R14 K21 S22 | R14-E18 PolarHBondContact O-N 3.4Å; E18-K21 PolarHBondContact O-N 2.86Å; E18-S22 PolarHBondContact O-N 2.82Å |
| 19 | R | 59.7 | Low | 57.3 | Low | 185 Ų | 185 | 137.3 Ų | 137.3 | 70% | 0.698 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -70.6 | -29.9 | 178.4 | -70.5 | -178.3 | -180 | -166.4 | 0 | 114.1 | Q15 A16 K21 S22 | Q15-R19 PolarHBondContact O-N 3.41Å; A16-R19 PolarHBondContact O-N 3.44Å; R19-K21 VanDerWaalsContact C-N 3.35Å; R19-S22 PolarHBondContact O-OG 3.5Å |
| 20 | E | 59 | Low | 56.4 | Low | 148 Ų | 148 | 138.1 Ų | 138.1 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -72.9 | -30.2 | 173.5 | -75.6 | -171.9 | 146.8 | 0 | 0 | 112.1 | A16 N23 | A16-E20 PolarHBondContact O-N 3.04Å; E20-N23 PolarHBondContact O-N 2.94Å |
| 21 | K | 56.5 | Low | 55.5 | Low | 161 Ų | 161 | 139.1 Ų | 139.1 | 70% | 0.7 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -76.1 | -28.5 | -178.6 | -145.2 | 176 | -177.8 | -171.4 | 0 | 112.7 | E18 R19 | E18-K21 PolarHBondContact O-N 2.86Å; R19-K21 VanDerWaalsContact C-N 3.35Å |
| 22 | S | 54.5 | Low | 53.7 | Low | 79 Ų | 79 | 135 Ų | 135 | 55% | 0.552 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -74.6 | -21.6 | 174.5 | 56.2 | 0 | 0 | 0 | 0 | 114 | E18 R19 | E18-S22 PolarHBondContact O-N 2.82Å; R19-S22 PolarHBondContact O-OG 3.5Å |
| 23 | N | 52.4 | Low | 52.3 | Low | 129 Ų | 129 | 139.4 Ų | 139.4 | 69% | 0.69 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -91 | -11.7 | -178.5 | -75.3 | -14.1 | 0 | 0 | 0 | 114.2 | E20 | E20-N23 PolarHBondContact O-N 2.94Å |
| 24 | A | 47.5 | Very low | 50.9 | Low | 85 Ų | 85 | 134.8 Ų | 134.8 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -3.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 25 | C | 42.9 | Very low | 49.1 | Very low | 98 Ų | 98 | 135 Ų | 135 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 16.5 | -173.8 | -66.6 | 0 | 0 | 0 | 0 | 115.4 | C27 | C25-C27 PolarHBondContact O-N 2.77Š|
| 26 | K | 40.9 | Very low | 47.6 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | -88.9 | 79.8 | 172.3 | -72.4 | -174.8 | 179.1 | 178.1 | 0 | 110.9 | ||||
| 27 | C | 33.8 | Very low | 46.4 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | trans | -45.6 | 131.5 | 164.5 | -52.5 | 0 | 0 | 0 | 0 | 110.7 | C25 | C25-C27 PolarHBondContact O-N 2.77Š| ||
| 28 | V | 35 | Very low | 45.2 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | 56.9 | 91.6 | 70.6 | -172.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 29 | S | 34.3 | Very low | 43.9 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -165.8 | 113.4 | 160.7 | 55.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 30 | S | 45.5 | Very low | 43.4 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -151.6 | 123.5 | 155.4 | -75.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 31 | P | 47.1 | Very low | 42.4 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | trans | -99 | 158.8 | -174.5 | 29.4 | -16.8 | 0 | 0 | 0 | 114.1 | ||||
| 32 | S | 36.7 | Very low | 42.3 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -81 | 138.9 | 176.2 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 33 | K | 42.7 | Very low | 41.9 | Very low | 220 Ų | 220 | 142.5 Ų | 142.5 | 96% | 0.957 | 82% | 0.817 | S | S | * | * | trans | 170 | 143.6 | 152.5 | -95 | 165.2 | -176 | -175.2 | 0 | 106.4 | ||||
| 34 | G | 40.4 | Very low | 41.7 | Very low | 76 Ų | 76 | 143.8 Ų | 143.8 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | cis | -168.9 | 175.8 | 13 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 35 | K | 36.9 | Very low | 42.1 | Very low | 203 Ų | 203 | 145.6 Ų | 145.6 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -66.2 | 142.9 | -177.3 | -71.9 | 171.2 | 169.6 | 174.4 | 0 | 113.7 | ||||
| 36 | T | 41.8 | Very low | 42.3 | Very low | 151 Ų | 151 | 150.7 Ų | 150.7 | 93% | 0.926 | 84% | 0.837 | S | S | * | * | trans | -164.4 | 146.2 | 137.9 | 12.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 37 | S | 37 | Very low | 42.9 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 70% | 0.699 | 83% | 0.831 | S | S | * | * | trans | -65.8 | 149.9 | -175.6 | 175.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 38 | C | 39.9 | Very low | 43.7 | Very low | 122 Ų | 122 | 153 Ų | 153 | 82% | 0.824 | 84% | 0.841 | S | S | * | * | 173.4 | 135.6 | 120.1 | -93.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 39 | D | 37.9 | Very low | 44.7 | Very low | 147 Ų | 147 | 151.1 Ų | 151.1 | 79% | 0.786 | 83% | 0.83 | S | S | * | * | trans | -53.8 | 146.1 | 173.9 | -65.8 | -73.3 | 0 | 0 | 0 | 114.4 | ||||
| 40 | K | 48.6 | Very low | 45.7 | Very low | 199 Ų | 199 | 154.4 Ų | 154.4 | 87% | 0.865 | 83% | 0.83 | S | S | * | * | 176.3 | 122.7 | 120.4 | -93.6 | 160.3 | -172.8 | 178.8 | 0 | 111.5 | |||||
| 41 | N | 38.4 | Very low | 46.1 | Very low | 153 Ų | 153 | 155.9 Ų | 155.9 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | 17.8 | 117.7 | 146.4 | -74.9 | -10.1 | 0 | 0 | 0 | 117.8 | ||||
| 42 | K | 52.9 | Low | 46.4 | Very low | 205 Ų | 205 | 158 Ų | 158 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | -162.9 | 113.2 | 126.7 | -103.5 | 158.1 | -170.9 | -172.1 | 0 | 109.7 | N44 | K42-N44 PolarHBondContact O-N 2.83Š| |||
| 43 | L | 47.2 | Very low | 47 | Very low | 180 Ų | 180 | 156 Ų | 156 | 94% | 0.942 | 82% | 0.82 | S | S | * | * | trans | -38 | 120.2 | 161.2 | -65 | 158.8 | 0 | 0 | 0 | 108.8 | ||||
| 44 | N | 48.4 | Very low | 47.7 | Very low | 156 Ų | 156 | 150.5 Ų | 150.5 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -128.4 | 121.3 | 165.9 | -127 | -4.1 | 0 | 0 | 0 | 110.8 | K42 | K42-N44 PolarHBondContact O-N 2.83Š| ||
| 45 | V | 56.1 | Low | 48.5 | Very low | 123 Ų | 123 | 156.3 Ų | 156.3 | 75% | 0.745 | 81% | 0.813 | S | S | * | * | trans | -54.8 | 131.2 | -173.7 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | S47 | V45-S47 PolarHBondContact O-N 2.87Š| ||
| 46 | F | 46.6 | Very low | 49.4 | Very low | 205 Ų | 205 | 156 Ų | 156 | 90% | 0.899 | 81% | 0.812 | S | S | * | * | trans | -58 | 93.7 | 171.5 | -69.6 | -90.9 | 0 | 0 | 0 | 110.6 | R48 | F46-R48 PolarHBondContact O-N 2.78Š| ||
| 47 | S | 53 | Low | 50 | Low | 103 Ų | 103 | 159.9 Ų | 159.9 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | -85.5 | 92.4 | 162 | 44.5 | 0 | 0 | 0 | 0 | 108.6 | V45 V49 | V45-S47 PolarHBondContact O-N 2.87Å; S47-V49 PolarHBondContact O-N 2.77Å | ||
| 48 | R | 50.7 | Low | 51 | Low | 243 Ų | 243 | 166.5 Ų | 166.5 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | -60.9 | 81.5 | 166.6 | -114.8 | 179.1 | 176.1 | 169.7 | -0.3 | 109.2 | F46 K50 | F46-R48 PolarHBondContact O-N 2.78Å; R48-K50 PolarHBondContact O-N 2.77Å | ||
| 49 | V | 55.7 | Low | 52 | Low | 108 Ų | 108 | 172 Ų | 172 | 66% | 0.655 | 82% | 0.823 | S | S | * | * | trans | -81.4 | 100.8 | 166.3 | -175.6 | 0 | 0 | 0 | 0 | 107.2 | S47 L51 | S47-V49 PolarHBondContact O-N 2.77Å; V49-L51 PolarHBondContact O-N 2.88Å | ||
| 50 | K | 55.3 | Low | 53.3 | Low | 179 Ų | 179 | 176.7 Ų | 176.7 | 78% | 0.778 | 83% | 0.829 | S | S | * | * | trans | -63.5 | 88.1 | 160.8 | -80.9 | -177.4 | 178.3 | 172.9 | 0 | 107.1 | R48 F52 | R48-K50 PolarHBondContact O-N 2.77Å; K50-F52 HydrophobicContact CB-CE2 4.48Å; K50-F52 PolarHBondContact O-N 2.84Å | ||
| 51 | L | 55.2 | Low | 54.1 | Low | 156 Ų | 156 | 178.1 Ų | 178.1 | 82% | 0.817 | 83% | 0.829 | S | S | * | * | trans | -61.9 | 95.3 | 158.3 | -97.7 | 138.3 | 0 | 0 | 0 | 105.9 | V49 G53 | V49-L51 PolarHBondContact O-N 2.88Å; L51-G53 PolarHBondContact O-N 2.85Å | ||
| 52 | F | 53.3 | Low | 55.6 | Low | 179 Ų | 179 | 176.5 Ų | 176.5 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | trans | -54.9 | 95.6 | 158.9 | -80 | -89.3 | 0 | 0 | 0 | 106.2 | K50 S54 | K50-F52 HydrophobicContact CB-CE2 4.48Å; K50-F52 PolarHBondContact O-N 2.84Å; F52-S54 PolarHBondContact O-N 3.28Å | ||
| 53 | G | 48.3 | Very low | 56.4 | Low | 67 Ų | 67 | 172.1 Ų | 172.1 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | -64.7 | 84 | 171 | 0 | 0 | 0 | 0 | 0 | 107.4 | L51 K55 | L51-G53 PolarHBondContact O-N 2.85Å; G53-K55 PolarHBondContact O-N 3.26Å | ||
| 54 | S | 57 | Low | 57.4 | Low | 106 Ų | 106 | 167.6 Ų | 167.6 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -51.9 | 99.8 | 160.8 | -71.9 | 0 | 0 | 0 | 0 | 105.8 | F52 K56 | F52-S54 PolarHBondContact O-N 3.28Å; S54-K56 PolarHBondContact O-N 3.32Å | ||
| 55 | K | 57.5 | Low | 59 | Low | 197 Ų | 197 | 166.1 Ų | 166.1 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -52.9 | 92.2 | 164.3 | -77.8 | 179.8 | 176.4 | 173.2 | 0 | 105 | G53 R57 | G53-K55 PolarHBondContact O-N 3.26Å; K55-R57 PolarHBondContact O-N 3.45Å | ||
| 56 | K | 56.3 | Low | 60.7 | Low | 196 Ų | 196 | 162 Ų | 162 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | trans | -57.7 | 94 | 164.7 | -91.2 | -177.1 | 175.3 | 174.4 | 0 | 103.8 | S54 R58 | S54-K56 PolarHBondContact O-N 3.32Å; K56-R58 VanDerWaalsContact C-N 3.3Å; K56-R58 PolarHBondContact O-N 2.88Å | ||
| 57 | R | 54.9 | Low | 62.9 | Low | 234 Ų | 234 | 159.2 Ų | 159.2 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | trans | -50.7 | 107.3 | 164.7 | -69.3 | -178.2 | 99 | 166 | 5.3 | 103.2 | K55 R59 | K55-R57 PolarHBondContact O-N 3.45Å; R57-R59 VanDerWaalsContact C-N 3.3Å; R57-R59 PolarHBondContact O-N 2.96Å | ||
| 58 | R | 57.2 | Low | 64.9 | Low | 238 Ų | 238 | 154.5 Ų | 154.5 | 90% | 0.898 | 71% | 0.708 | S | S | * | * | trans | -52.3 | 104.5 | 171.8 | -84.9 | -176.4 | 159.2 | -176 | -4.5 | 104.5 | K56 R60 | K56-R58 VanDerWaalsContact C-N 3.3Å; K56-R58 PolarHBondContact O-N 2.88Å; R58-R60 PolarHBondContact O-N 3.38Å | ||
| 59 | R | 62.4 | Low | 67.1 | Low | 238 Ų | 238 | 145 Ų | 145 | 90% | 0.898 | 68% | 0.675 | S | S | * | * | trans | -53.2 | 112.9 | 171.1 | -81.1 | -173 | 171.8 | 179.4 | -2.4 | 104.4 | R57 R61 | R57-R59 VanDerWaalsContact C-N 3.3Å; R57-R59 PolarHBondContact O-N 2.96Å; R59-R61 PolarHBondContact O-N 3.12Å | ||
| 60 | R | 64 | Low | 69.1 | Low | 245 Ų | 245 | 140.4 Ų | 140.4 | 93% | 0.925 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 116.2 | 175.1 | -76.5 | -173.1 | 169.7 | 176.9 | -3.2 | 105.3 | R58 | R58-R60 PolarHBondContact O-N 3.38Š|
| 61 | R | 65.2 | Low | 71.2 | Confident | 230 Ų | 230 | 131.9 Ų | 131.9 | 87% | 0.868 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 132.1 | 173.1 | -73.1 | -174.9 | 175.1 | -179.5 | -1.7 | 106.1 | R59 E63 | R59-R61 PolarHBondContact O-N 3.12Å; R61-E63 PolarHBondContact O-N 3.18Å |
| 62 | P | 71.4 | Confident | 73.2 | Confident | 118 Ų | 118 | 126.9 Ų | 126.9 | 77% | 0.766 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 133.2 | 173.5 | -22.9 | 32 | 0 | 0 | 0 | 108.5 | ||
| 63 | E | 69.4 | Low | 75.3 | Confident | 114 Ų | 114 | 118.3 Ų | 118.3 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 141.6 | 174.5 | -69 | -166.9 | 152.4 | 0 | 0 | 109.1 | R61 Q65 K205 | R61-E63 PolarHBondContact O-N 3.18Å; E63-Q65 PolarHBondContact O-N 2.87Å; E63-Q65 VanDerWaalsContact O-N 3.15Å; E63-K205 IonicContact OE1-NZ 2.83Å; E63-K205 PolarHBondContact OE1-NZ 3.45Å; E63-K205 WeakPolarHBondContact OE2-CD 3.35Å; E63-K205 VanDerWaalsContact OE2-CE 3.27Å; E63-K205 WeakPolarHBondContact OE2-CE 3.45Å; E63-K205 IonicContact OE2-NZ 3.89Å; E63-K205 PolarHBondContact OE2-NZ 3.28Å |
| 64 | P | 68.4 | Low | 77.7 | Confident | 84 Ų | 84 | 118.7 Ų | 118.7 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 121.9 | 176 | -21.9 | 31.9 | 0 | 0 | 0 | 110.2 | ||
| 65 | Q | 81.5 | Confident | 79.7 | Confident | 126 Ų | 126 | 113.7 Ų | 113.7 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.4 | 175 | -60.4 | -176.2 | 9.8 | 0 | 0 | 109.3 | E63 M203 Y204 | E63-Q65 PolarHBondContact O-N 2.87Å; E63-Q65 VanDerWaalsContact O-N 3.15Å; Q65-M203 HydrophobicContact CB-CB 4.47Å; Q65-M203 HydrophobicContact CB-CE 3.43Å; Q65-M203 VanDerWaalsContact CB-CE 3.43Å; Q65-Y204 CarbonylContact C-O 3.58Å; Q65-Y204 WeakPolarHBondContact CA-O 3.35Å |
| 66 | L | 90.6 | Very high | 81.6 | Confident | 35 Ų | 35 | 109.3 Ų | 109.3 | 18% | 0.183 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 131 | 174.8 | -59.8 | 174 | 0 | 0 | 0 | 109.2 | G68 I105 P106 M203 Y204 E206 | L66-G68 PolarHBondContact O-N 2.76Å; L66-I105 HydrophobicContact CB-CG2 4.36Å; L66-I105 HydrophobicContact CD1-CG2 3.8Å; L66-P106 HydrophobicContact CB-CG 4.43Å; L66-P106 WeakPolarHBondContact CD1-O 3.06Å; L66-M203 CarbonylContact O-C 3.57Å; L66-M203 WeakPolarHBondContact O-CA 3.24Å; L66-Y204 PolarHBondContact N-O 3.48Å; L66-Y204 PolarHBondContact O-N 3.46Å; L66-E206 HydrophobicContact CD1-CB 3.93Å; L66-E206 HydrophobicContact CD1-CG 4.07Å; L66-E206 HydrophobicContact CG-CB 4.27Å |
| 67 | K | 93.4 | Very high | 83.5 | Confident | 147 Ų | 147 | 102 Ų | 102 | 64% | 0.639 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 97.4 | 175.8 | -173.2 | 179.2 | -176.6 | -179.7 | 0 | 109.4 | P106 V201 M203 | K67-P106 WeakPolarHBondContact O-CG 3.39Å; K67-V201 HydrophobicContact CD-CG1 4.25Å; K67-V201 VanDerWaalsContact CE-CG1 3.47Å; K67-V201 HydrophobicContact CG-CG1 3.73Å; K67-M203 HydrophobicContact CB-CE 4.25Å; K67-M203 HydrophobicContact CB-SD 3.87Å; K67-M203 HydrophobicContact CG-SD 3.98Å |
| 68 | G | 95.3 | Very high | 85.6 | Confident | 4 Ų | 4 | 92.2 Ų | 92.2 | 4% | 0.041 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -167.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L66 L104 A202 | L66-G68 PolarHBondContact O-N 2.76Å; G68-L104 VanDerWaalsContact CA-O 3.27Å; G68-L104 WeakPolarHBondContact CA-O 3.29Å; G68-A202 CarbonylContact C-O 3.55Å; G68-A202 PolarHBondContact N-O 2.96Å; G68-A202 PolarHBondContact O-N 2.99Å; G68-A202 VanDerWaalsContact O-O 3.13Å |
| 69 | I | 97.2 | Very high | 87.6 | Confident | 45 Ų | 45 | 82.4 Ų | 82.4 | 23% | 0.231 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151.9 | 176.7 | 60.3 | 173.9 | 0 | 0 | 0 | 110.8 | T71 L104 P198 K200 V201 Y204 | I69-T71 HydrophobicContact CD1-CG2 4.18Å; I69-T71 HydrophobicContact CG1-CG2 4.32Å; I69-L104 HydrophobicContact CD1-CB 4.41Å; I69-L104 HydrophobicContact CD1-CD2 4.37Å; I69-L104 HydrophobicContact CG1-CB 3.72Å; I69-L104 PolarHBondContact N-O 3.38Å; I69-L104 VanDerWaalsContact N-O 3.13Å; I69-L104 PolarHBondContact O-N 2.72Å; I69-P198 HydrophobicContact CD1-CB 4.22Å; I69-P198 HydrophobicContact CD1-CG 4.17Å; I69-K200 CarbonylContact C-O 3.49Å; I69-K200 WeakPolarHBondContact CA-O 3.49Å; I69-V201 HydrophobicContact CG2-CG2 4.26Å; I69-Y204 PolarHBondContact O-OH 3.16Å |
| 70 | V | 98.1 | Very high | 89.3 | Confident | 11 Ų | 11 | 71.3 Ų | 71.3 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124 | 160 | -179.3 | 0 | 0 | 0 | 0 | 106.3 | L101 F102 V117 L199 K200 A202 Y204 | V70-L101 HydrophobicContact CG1-CD2 4.42Å; V70-F102 CarbonylContact C-O 3.48Å; V70-F102 WeakPolarHBondContact CA-O 3.38Å; V70-V117 HydrophobicContact CG1-CG2 4.13Å; V70-L199 HydrophobicContact CG1-CD2 4.41Å; V70-L199 WeakPolarHBondContact O-CB 3.15Å; V70-L199 PolarHBondContact O-N 3.48Å; V70-K200 HydrophobicContact CB-CG 4.01Å; V70-K200 HydrophobicContact CG2-CG 4.07Å; V70-K200 PolarHBondContact N-O 2.47Å; V70-K200 PolarHBondContact O-N 3.21Å; V70-A202 HydrophobicContact CG2-CB 4.32Å; V70-Y204 WeakPolarHBondContact CG2-OH 3.2Å |
| 71 | T | 98.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 154.3 | -173.8 | -170.3 | 0 | 0 | 0 | 0 | 110.8 | I69 L73 F102 L104 K197 | I69-T71 HydrophobicContact CD1-CG2 4.18Å; I69-T71 HydrophobicContact CG1-CG2 4.32Å; T71-L73 HydrophobicContact CG2-CD2 4.18Å; T71-F102 PolarHBondContact N-O 2.89Å; T71-F102 PolarHBondContact O-N 3.25Å; T71-L104 HydrophobicContact CG2-CB 4.15Å; T71-L104 HydrophobicContact CG2-CD1 4.27Å; T71-L104 HydrophobicContact CG2-CD2 4.43Å; T71-K197 WeakPolarHBondContact CA-O 3.32Å; T71-K197 PolarHBondContact OG1-N 3.3Å; T71-K197 PolarHBondContact OG1-O 3.35Å; T71-K197 VanDerWaalsContact OG1-O 3.05Å |
| 72 | K | 98 | Very high | 92.5 | Very high | 50 Ų | 50 | 49.6 Ų | 49.6 | 22% | 0.217 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 152.3 | 157.2 | -60.6 | -177.7 | 179.5 | 173.9 | 0 | 108.9 | E95 T100 L101 P196 K197 | K72-E95 PolarHBondContact NZ-O 3.16Å; K72-T100 WeakPolarHBondContact CE-OG1 3.43Å; K72-L101 HydrophobicContact CG-CD2 3.93Å; K72-P196 WeakPolarHBondContact O-CA 3.31Å; K72-K197 HydrophobicContact CB-CB 4.34Å; K72-K197 PolarHBondContact N-O 3.19Å; K72-K197 PolarHBondContact O-N 3.44Å |
| 73 | L | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 101.2 | 174.9 | -66.9 | 177.3 | 0 | 0 | 0 | 108.9 | T71 L81 F102 L104 I114 Y155 F194 P196 | T71-L73 HydrophobicContact CG2-CD2 4.18Å; L73-L81 HydrophobicContact CB-CB 4.05Å; L73-L81 HydrophobicContact CB-CD2 4.4Å; L73-L81 HydrophobicContact CD1-CD2 3.9Å; L73-L81 PolarHBondContact O-N 3.41Å; L73-F102 HydrophobicContact CD1-CD2 4.49Å; L73-L104 HydrophobicContact CD1-CD1 4.45Å; L73-I114 HydrophobicContact CD1-CD1 4.47Å; L73-I114 HydrophobicContact CD1-CG2 4.25Å; L73-Y155 HydrophobicContact CD1-CE2 4.25Å; L73-Y155 HydrophobicContact CD2-CE2 4.04Å; L73-F194 HydrophobicContact CB-CD1 4.21Å; L73-P196 HydrophobicContact CD2-CB 4.2Å; L73-P196 HydrophobicContact CD2-CG 4.17Å |
| 74 | Y | 98.1 | Very high | 95.1 | Very high | 75 Ų | 75 | 41.4 Ų | 41.4 | 29% | 0.294 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 115.8 | 179.4 | -179.2 | -107.8 | 0 | 0 | 0 | 110.1 | H80 F194 L195 | Y74-H80 AromaticContact CD2-CD2 3.58Å; Y74-H80 AromaticContact CD2-NE2 3.51Å; Y74-F194 CarbonylContact O-C 3.6Å; Y74-F194 WeakPolarHBondContact O-CA 3.48Å; Y74-L195 HydrophobicContact CD1-CB 4.47Å; Y74-L195 PolarHBondContact N-O 2.81Å; Y74-L195 PolarHBondContact O-N 3.21Å |
| 75 | S | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 140.4 | 175.2 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | Q77 G78 Y79 | S75-Q77 PolarHBondContact O-N 3.33Å; S75-Q77 WeakPolarHBondContact OG-CB 3.49Å; S75-Q77 WeakPolarHBondContact OG-CG 3.27Å; S75-Q77 PolarHBondContact OG-N 3.42Å; S75-G78 PolarHBondContact O-N 3.01Å; S75-Y79 VanDerWaalsContact CB-O 3.3Å; S75-Y79 WeakPolarHBondContact CB-O 3.38Å; S75-Y79 PolarHBondContact N-O 2.86Å |
| 76 | R | 97.6 | Very high | 97.2 | Very high | 106 Ų | 106 | 40.1 Ų | 40.1 | 40% | 0.4 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -19.6 | 171.7 | -174.6 | 177.5 | 173.9 | 173.1 | -7.2 | 112.5 | G78 Y152 P190 H193 | R76-G78 PolarHBondContact O-N 2.86Å; R76-Y152 HydrophobicContact CB-CD1 4.48Å; R76-Y152 HydrophobicContact CB-CE1 3.95Å; R76-Y152 VanDerWaalsContact CD-CZ 3.48Å; R76-Y152 HydrophobicContact CG-CE1 3.91Å; R76-P190 HydrophobicContact CG-CB 4.28Å; R76-H193 HydrophobicContact CB-CB 3.76Å; R76-H193 WeakPolarHBondContact CB-O 3.23Å; R76-H193 WeakPolarHBondContact CD-ND1 3.4Å; R76-H193 PolarHBondContact N-O 3.3Å; R76-H193 PolarHBondContact NH1-ND1 3.32Å |
| 77 | Q | 97.5 | Very high | 97.5 | Very high | 43 Ų | 43 | 39 Ų | 39 | 20% | 0.201 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -6.8 | 176.1 | -57.7 | -66.6 | 95.4 | 0 | 0 | 113.8 | S75 Y79 N174 | S75-Q77 PolarHBondContact O-N 3.33Å; S75-Q77 WeakPolarHBondContact OG-CB 3.49Å; S75-Q77 WeakPolarHBondContact OG-CG 3.27Å; S75-Q77 PolarHBondContact OG-N 3.42Å; Q77-Y79 HydrophobicContact CB-CD2 4.13Å; Q77-Y79 WeakPolarHBondContact O-CD2 3.35Å; Q77-Y79 WeakPolarHBondContact O-CE2 3.39Å; Q77-N174 WeakPolarHBondContact CB-O 3.5Å; Q77-N174 VanDerWaalsContact CG-O 3.29Å; Q77-N174 WeakPolarHBondContact CG-O 3.48Å; Q77-N174 PolarHBondContact NE2-O 3.19Å |
| 78 | G | 97.8 | Very high | 97.7 | Very high | 27 Ų | 27 | 35 Ų | 35 | 28% | 0.278 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | 20.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S75 R76 | S75-G78 PolarHBondContact O-N 3.01Å; R76-G78 PolarHBondContact O-N 2.86Å |
| 79 | Y | 98.5 | Very high | 97.8 | Very high | 33 Ų | 33 | 35.3 Ų | 35.3 | 13% | 0.129 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 144.8 | -176.9 | -59.8 | -92.7 | 0 | 0 | 0 | 111 | S75 Q77 G91 T92 K93 K175 | S75-Y79 VanDerWaalsContact CB-O 3.3Å; S75-Y79 WeakPolarHBondContact CB-O 3.38Å; S75-Y79 PolarHBondContact N-O 2.86Å; Q77-Y79 HydrophobicContact CB-CD2 4.13Å; Q77-Y79 WeakPolarHBondContact O-CD2 3.35Å; Q77-Y79 WeakPolarHBondContact O-CE2 3.39Å; Y79-G91 WeakPolarHBondContact CD1-O 3.43Å; Y79-T92 CarbonylContact C-O 3.53Å; Y79-T92 WeakPolarHBondContact CA-O 3.32Å; Y79-K93 HydrophobicContact CD1-CG 3.85Å; Y79-K93 HydrophobicContact CE1-CD 4.27Å; Y79-K93 HydrophobicContact CE1-CG 3.85Å; Y79-K175 VanDerWaalsContact CE2-O 3.27Å; Y79-K175 WeakPolarHBondContact CE2-O 3.32Å; Y79-K175 PolarHBondContact OH-O 3.36Å |
| 80 | H | 98.3 | Very high | 97.9 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 127.6 | 163.6 | -80.5 | -102 | 0 | 0 | 0 | 109.2 | Y74 Q82 G91 T92 E95 T100 K197 | Y74-H80 AromaticContact CD2-CD2 3.58Å; Y74-H80 AromaticContact CD2-NE2 3.51Å; H80-Q82 PolarHBondContact O-N 3.06Å; H80-G91 CarbonylContact O-C 3.56Å; H80-G91 WeakPolarHBondContact O-CA 3.18Å; H80-T92 HydrophobicContact CB-CG2 4.17Å; H80-T92 PolarHBondContact N-O 2.72Å; H80-T92 PolarHBondContact O-N 3.22Å; H80-E95 IonicContact NE2-OE1 3.65Å; H80-T100 HydrophobicContact CB-CG2 3.87Å; H80-K197 PolarHBondContact CE1-NZ 3.36Å; H80-K197 PolarHBondContact NE2-NZ 3.34Å; H80-K197 VanDerWaalsContact NE2-NZ 3.14Å |
| 81 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 137.2 | 170.5 | -170 | 70 | 0 | 0 | 0 | 108.7 | L73 I89 T100 F102 L123 L171 L173 | L73-L81 HydrophobicContact CB-CB 4.05Å; L73-L81 HydrophobicContact CB-CD2 4.4Å; L73-L81 HydrophobicContact CD1-CD2 3.9Å; L73-L81 PolarHBondContact O-N 3.41Å; L81-I89 HydrophobicContact CD1-CG2 4.05Å; L81-T100 WeakPolarHBondContact O-CA 3.28Å; L81-F102 HydrophobicContact CB-CE2 4.03Å; L81-F102 HydrophobicContact CB-CZ 4.39Å; L81-F102 HydrophobicContact CD2-CE2 4.05Å; L81-F102 HydrophobicContact CD2-CZ 3.91Å; L81-F102 HydrophobicContact CG-CE2 4.05Å; L81-F102 HydrophobicContact CG-CZ 3.91Å; L81-F102 WeakPolarHBondContact O-CE2 3.22Å; L81-L123 HydrophobicContact CD2-CD1 3.98Å; L81-L171 HydrophobicContact CD1-CD1 4.47Å; L81-L171 HydrophobicContact CD2-CD2 4.1Å; L81-L173 HydrophobicContact CD1-CD1 4.37Å; L81-L173 HydrophobicContact CD1-CD2 4.13Å; L81-L173 HydrophobicContact CD1-CG 4.44Å |
| 82 | Q | 98 | Very high | 97.9 | Very high | 19 Ų | 19 | 36.5 Ų | 36.5 | 9% | 0.089 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 143.3 | -179.6 | 176.8 | 168.2 | -18.5 | 0 | 0 | 109.6 | H80 Q84 D90 T92 T100 | H80-Q82 PolarHBondContact O-N 3.06Å; Q82-Q84 HydrophobicContact CG-CG 3.98Å; Q82-D90 PolarHBondContact N-O 3.41Å; Q82-D90 PolarHBondContact O-N 3.15Å; Q82-T92 HydrophobicContact CB-CG2 4.07Å; Q82-T100 HydrophobicContact CB-CG2 4.32Å |
| 83 | L | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 100.2 | 171 | 169.2 | 50.9 | 0 | 0 | 0 | 108.5 | I89 Y99 F102 L121 L123 T133 | L83-I89 HydrophobicContact CD1-CG1 4.16Å; L83-Y99 PolarHBondContact N-O 3.08Å; L83-Y99 VanDerWaalsContact N-O 3.08Å; L83-Y99 WeakPolarHBondContact O-CB 3.38Å; L83-Y99 VanDerWaalsContact O-CD1 3.23Å; L83-Y99 WeakPolarHBondContact O-CD1 3.49Å; L83-F102 HydrophobicContact CB-CE1 3.71Å; L83-F102 HydrophobicContact CB-CZ 3.87Å; L83-F102 HydrophobicContact CD2-CE1 4.22Å; L83-L121 HydrophobicContact CD2-CB 4.13Å; L83-L123 HydrophobicContact CD2-CD2 4.1Å; L83-T133 HydrophobicContact CD1-CG2 3.34Å; L83-T133 HydrophobicContact CD2-CG2 4.33Å; L83-T133 HydrophobicContact CG-CG2 4.49Å |
| 84 | Q | 97.8 | Very high | 97.8 | Very high | 59 Ų | 59 | 45 Ų | 45 | 28% | 0.276 | 24% | 0.239 | S | C | . | . | trans | -70.8 | 164.4 | -175.2 | -67.4 | -172.3 | 62.7 | 0 | 0 | 112.4 | Q82 D86 G87 T88 D90 T119 | Q82-Q84 HydrophobicContact CG-CG 3.98Å; Q84-D86 WeakPolarHBondContact CB-OD1 3.38Å; Q84-D86 PolarHBondContact O-N 2.87Å; Q84-G87 PolarHBondContact O-N 3.43Å; Q84-T88 PolarHBondContact N-O 3.46Å; Q84-D90 PolarHBondContact NE2-OD1 3.4Å; Q84-D90 PolarHBondContact NE2-OD2 2.86Å; Q84-T119 WeakPolarHBondContact O-CG2 3.47Å | ||
| 85 | A | 97.3 | Very high | 97.4 | Very high | 72 Ų | 72 | 46.5 Ų | 46.5 | 60% | 0.595 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -28.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G87 Y99 | A85-G87 VanDerWaalsContact C-N 3.27Å; A85-Y99 HydrophobicContact CB-CE1 3.9Å |
| 86 | D | 96.5 | Very high | 97.3 | Very high | 112 Ų | 112 | 53.3 Ų | 53.3 | 60% | 0.599 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -6.1 | 176.7 | 65.6 | -15.9 | 0 | 0 | 0 | 113.5 | Q84 T88 | Q84-D86 WeakPolarHBondContact CB-OD1 3.38Å; Q84-D86 PolarHBondContact O-N 2.87Å; D86-T88 VanDerWaalsContact OD1-CB 3.24Å; D86-T88 WeakPolarHBondContact OD1-CB 3.4Å; D86-T88 PolarHBondContact OD1-N 3.29Å; D86-T88 PolarHBondContact OD1-OG1 3.35Å; D86-T88 WeakPolarHBondContact OD2-CB 3.3Å; D86-T88 PolarHBondContact OD2-OG1 2.94Å |
| 87 | G | 96.4 | Very high | 97.2 | Very high | 12 Ų | 12 | 48.9 Ų | 48.9 | 12% | 0.124 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 90.7 | 2.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q84 A85 T133 | Q84-G87 PolarHBondContact O-N 3.43Å; A85-G87 VanDerWaalsContact C-N 3.27Å; G87-T133 WeakPolarHBondContact O-CG2 3.38Å |
| 88 | T | 97.8 | Very high | 97.2 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | trans | -68.7 | 134.1 | 176.3 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | Q84 D86 | Q84-T88 PolarHBondContact N-O 3.46Å; D86-T88 VanDerWaalsContact OD1-CB 3.24Å; D86-T88 WeakPolarHBondContact OD1-CB 3.4Å; D86-T88 PolarHBondContact OD1-N 3.29Å; D86-T88 PolarHBondContact OD1-OG1 3.35Å; D86-T88 WeakPolarHBondContact OD2-CB 3.3Å; D86-T88 PolarHBondContact OD2-OG1 2.94Å | ||
| 89 | I | 98.3 | Very high | 97.2 | Very high | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.062 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 119.1 | 179 | -53.5 | 157.9 | 0 | 0 | 0 | 108.2 | L81 L83 L123 L131 T133 I179 | L81-I89 HydrophobicContact CD1-CG2 4.05Å; L83-I89 HydrophobicContact CD1-CG1 4.16Å; I89-L123 HydrophobicContact CD1-CD2 3.53Å; I89-L123 HydrophobicContact CG1-CD2 3.7Å; I89-L123 HydrophobicContact CG2-CD2 4.25Å; I89-L131 HydrophobicContact CD1-CB 4.21Å; I89-T133 HydrophobicContact CD1-CG2 3.95Å; I89-T133 HydrophobicContact CG1-CG2 3.94Å; I89-I179 HydrophobicContact CG2-CD1 4.06Å; I89-I179 HydrophobicContact CG2-CG1 4.38Å; I89-I179 WeakPolarHBondContact O-CB 3.44Å; I89-I179 WeakPolarHBondContact O-CG2 3.3Å |
| 90 | D | 98.1 | Very high | 97.1 | Very high | 43 Ų | 43 | 51.4 Ų | 51.4 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | -173.1 | -178.9 | 63.3 | -14.1 | 0 | 0 | 0 | 111.3 | Q82 Q84 G177 | Q82-D90 PolarHBondContact N-O 3.41Å; Q82-D90 PolarHBondContact O-N 3.15Å; Q84-D90 PolarHBondContact NE2-OD1 3.4Å; Q84-D90 PolarHBondContact NE2-OD2 2.86Å; D90-G177 CarbonylContact C-O 3.57Å |
| 91 | G | 98.2 | Very high | 97.1 | Very high | 11 Ų | 11 | 52.7 Ų | 52.7 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y79 H80 G177 | Y79-G91 WeakPolarHBondContact CD1-O 3.43Å; H80-G91 CarbonylContact O-C 3.56Å; H80-G91 WeakPolarHBondContact O-CA 3.18Å; G91-G177 VanDerWaalsContact CA-O 3.29Å; G91-G177 WeakPolarHBondContact CA-O 3.32Å; G91-G177 PolarHBondContact N-O 3.39Å |
| 92 | T | 98.1 | Very high | 97.1 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 16% | 0.16 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 155.3 | 176.3 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | Y79 H80 Q82 D94 T100 | Y79-T92 CarbonylContact C-O 3.53Å; Y79-T92 WeakPolarHBondContact CA-O 3.32Å; H80-T92 HydrophobicContact CB-CG2 4.17Å; H80-T92 PolarHBondContact N-O 2.72Å; H80-T92 PolarHBondContact O-N 3.22Å; Q82-T92 HydrophobicContact CB-CG2 4.07Å; T92-D94 HydrophobicContact CG2-CB 4.39Å; T92-D94 WeakPolarHBondContact CG2-O 3.42Å; T92-D94 WeakPolarHBondContact OG1-CB 3.37Å; T92-D94 PolarHBondContact OG1-N 2.89Å; T92-T100 HydrophobicContact CG2-CG2 3.52Å |
| 93 | K | 97.4 | Very high | 97.1 | Very high | 148 Ų | 148 | 52.2 Ų | 52.2 | 64% | 0.643 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -93.2 | -8.2 | 166.8 | -66 | -179.3 | -179.7 | 172.7 | 0 | 112.4 | Y79 E95 | Y79-K93 HydrophobicContact CD1-CG 3.85Å; Y79-K93 HydrophobicContact CE1-CD 4.27Å; Y79-K93 HydrophobicContact CE1-CG 3.85Å; K93-E95 PolarHBondContact O-N 3.47Å |
| 94 | D | 96.6 | Very high | 97.1 | Very high | 82 Ų | 82 | 52.7 Ų | 52.7 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | trans | -73.2 | 105 | 176.3 | -179.3 | 9 | 0 | 0 | 0 | 110 | T92 D96 S97 | T92-D94 HydrophobicContact CG2-CB 4.39Å; T92-D94 WeakPolarHBondContact CG2-O 3.42Å; T92-D94 WeakPolarHBondContact OG1-CB 3.37Å; T92-D94 PolarHBondContact OG1-N 2.89Å; D94-D96 VanDerWaalsContact C-N 3.28Å; D94-D96 PolarHBondContact O-N 3.46Å; D94-D96 PolarHBondContact OD1-N 2.77Å; D94-S97 PolarHBondContact OD1-N 3.47Å; D94-S97 WeakPolarHBondContact OD2-CB 3.32Å; D94-S97 PolarHBondContact OD2-N 3.01Å | ||
| 95 | E | 91.3 | Very high | 97.1 | Very high | 105 Ų | 105 | 50 Ų | 50 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -71.2 | -23.6 | 178.2 | -61.8 | -159.7 | 150.2 | 0 | 0 | 112.1 | K72 H80 K93 K197 | K72-E95 PolarHBondContact NZ-O 3.16Å; H80-E95 IonicContact NE2-OE1 3.65Å; K93-E95 PolarHBondContact O-N 3.47Å; E95-K197 IonicContact OE1-NZ 2.87Å |
| 96 | D | 94.3 | Very high | 97.1 | Very high | 144 Ų | 144 | 48.7 Ų | 48.7 | 77% | 0.77 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -91.6 | -7.9 | -175.1 | -67.6 | -38.1 | 0 | 0 | 0 | 113.1 | D94 T98 | D94-D96 VanDerWaalsContact C-N 3.28Å; D94-D96 PolarHBondContact O-N 3.46Å; D94-D96 PolarHBondContact OD1-N 2.77Å; D96-T98 PolarHBondContact O-N 2.88Å; D96-T98 VanDerWaalsContact O-N 3.16Å |
| 97 | S | 95.8 | Very high | 97 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | trans | -55.6 | 120.4 | 175.3 | 173 | 0 | 0 | 0 | 0 | 111.8 | D94 Y99 T100 | D94-S97 PolarHBondContact OD1-N 3.47Å; D94-S97 WeakPolarHBondContact OD2-CB 3.32Å; D94-S97 PolarHBondContact OD2-N 3.01Å; S97-Y99 PolarHBondContact O-N 2.92Å; S97-Y99 PolarHBondContact OG-N 3Å; S97-T100 PolarHBondContact O-N 2.78Å; S97-T100 VanDerWaalsContact O-N 3.15Å; S97-T100 PolarHBondContact O-OG1 3.29Å | ||
| 98 | T | 97 | Very high | 97 | Very high | 70 Ų | 70 | 46.1 Ų | 46.1 | 43% | 0.429 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -66.1 | -20.3 | 179.1 | 65.4 | 0 | 0 | 0 | 0 | 113 | D96 T100 L101 Q118 | D96-T98 PolarHBondContact O-N 2.88Å; D96-T98 VanDerWaalsContact O-N 3.16Å; T98-T100 PolarHBondContact O-N 2.82Å; T98-L101 PolarHBondContact O-N 2.72Å; T98-Q118 WeakPolarHBondContact O-CG 3.37Å |
| 99 | Y | 98.1 | Very high | 96.8 | Very high | 85 Ų | 85 | 51 Ų | 51 | 33% | 0.333 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -76.3 | -6.9 | 177.2 | -63.8 | -70.4 | 0 | 0 | 0 | 113.6 | L83 A85 S97 L101 Q118 T119 | L83-Y99 PolarHBondContact N-O 3.08Å; L83-Y99 VanDerWaalsContact N-O 3.08Å; L83-Y99 WeakPolarHBondContact O-CB 3.38Å; L83-Y99 VanDerWaalsContact O-CD1 3.23Å; L83-Y99 WeakPolarHBondContact O-CD1 3.49Å; A85-Y99 HydrophobicContact CB-CE1 3.9Å; S97-Y99 PolarHBondContact O-N 2.92Å; S97-Y99 PolarHBondContact OG-N 3Å; Y99-L101 VanDerWaalsContact C-N 3.3Å; Y99-Q118 HydrophobicContact CD1-CB 3.95Å; Y99-Q118 HydrophobicContact CD1-CG 4.28Å; Y99-Q118 HydrophobicContact CE1-CB 3.99Å; Y99-Q118 HydrophobicContact CE1-CG 4.48Å; Y99-T119 HydrophobicContact CD1-CG2 4.35Å; Y99-T119 HydrophobicContact CE1-CG2 4.34Å |
| 100 | T | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -84.6 | -4.4 | 174.5 | 66.4 | 0 | 0 | 0 | 0 | 113.5 | K72 H80 L81 Q82 T92 S97 T98 F102 | K72-T100 WeakPolarHBondContact CE-OG1 3.43Å; H80-T100 HydrophobicContact CB-CG2 3.87Å; L81-T100 WeakPolarHBondContact O-CA 3.28Å; Q82-T100 HydrophobicContact CB-CG2 4.32Å; T92-T100 HydrophobicContact CG2-CG2 3.52Å; S97-T100 PolarHBondContact O-N 2.78Å; S97-T100 VanDerWaalsContact O-N 3.15Å; S97-T100 PolarHBondContact O-OG1 3.29Å; T98-T100 PolarHBondContact O-N 2.82Å; T100-F102 VanDerWaalsContact O-CD2 3.32Å; T100-F102 WeakPolarHBondContact O-CD2 3.34Å |
| 101 | L | 98.1 | Very high | 96.7 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | trans | -87.3 | 125.2 | -179.8 | -65.5 | 173.9 | 0 | 0 | 0 | 110.8 | V70 K72 T98 Y99 V117 L199 | V70-L101 HydrophobicContact CG1-CD2 4.42Å; K72-L101 HydrophobicContact CG-CD2 3.93Å; T98-L101 PolarHBondContact O-N 2.72Å; Y99-L101 VanDerWaalsContact C-N 3.3Å; L101-V117 HydrophobicContact CB-CB 3.88Å; L101-V117 HydrophobicContact CB-CG2 3.79Å; L101-V117 WeakPolarHBondContact O-CB 3.43Å; L101-V117 WeakPolarHBondContact O-CG2 3.48Å; L101-V117 PolarHBondContact O-N 2.68Å; L101-L199 HydrophobicContact CD2-CD2 4.17Å | ||
| 102 | F | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142.6 | 177.1 | -64 | -86.6 | 0 | 0 | 0 | 112.2 | V70 T71 L73 L81 L83 T100 I114 Q115 L123 | V70-F102 CarbonylContact C-O 3.48Å; V70-F102 WeakPolarHBondContact CA-O 3.38Å; T71-F102 PolarHBondContact N-O 2.89Å; T71-F102 PolarHBondContact O-N 3.25Å; L73-F102 HydrophobicContact CD1-CD2 4.49Å; L81-F102 HydrophobicContact CB-CE2 4.03Å; L81-F102 HydrophobicContact CB-CZ 4.39Å; L81-F102 HydrophobicContact CD2-CE2 4.05Å; L81-F102 HydrophobicContact CD2-CZ 3.91Å; L81-F102 HydrophobicContact CG-CE2 4.05Å; L81-F102 HydrophobicContact CG-CZ 3.91Å; L81-F102 WeakPolarHBondContact O-CE2 3.22Å; L83-F102 HydrophobicContact CB-CE1 3.71Å; L83-F102 HydrophobicContact CB-CZ 3.87Å; L83-F102 HydrophobicContact CD2-CE1 4.22Å; T100-F102 VanDerWaalsContact O-CD2 3.32Å; T100-F102 WeakPolarHBondContact O-CD2 3.34Å; F102-I114 HydrophobicContact CB-CG2 4.12Å; F102-I114 HydrophobicContact CD1-CG2 3.66Å; F102-I114 HydrophobicContact CE1-CG2 4.35Å; F102-I114 HydrophobicContact CG-CG2 4.02Å; F102-Q115 CarbonylContact C-O 3.59Å; F102-Q115 VanDerWaalsContact CA-O 3.23Å; F102-Q115 WeakPolarHBondContact CA-O 3.34Å; F102-L123 HydrophobicContact CE1-CD1 4.37Å |
| 103 | N | 98 | Very high | 96.7 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.053 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 116.9 | 160.9 | -58 | -39.5 | 0 | 0 | 0 | 108.1 | I105 Q115 V117 Y204 | N103-I105 HydrophobicContact CB-CD1 4.23Å; N103-I105 HydrophobicContact CB-CG1 4.01Å; N103-Q115 HydrophobicContact CB-CB 4.24Å; N103-Q115 PolarHBondContact N-O 2.94Å; N103-Q115 PolarHBondContact ND2-OE1 2.98Å; N103-Q115 PolarHBondContact O-N 3.44Å; N103-V117 WeakPolarHBondContact OD1-CG2 3.23Å; N103-Y204 HydrophobicContact CB-CE1 3.76Å; N103-Y204 WeakPolarHBondContact CB-OH 3.41Å; N103-Y204 PolarHBondContact OD1-OH 3.38Å |
| 104 | L | 97.7 | Very high | 96.8 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 101.4 | 169.9 | -134 | 74 | 0 | 0 | 0 | 108.2 | G68 I69 T71 L73 V112 I114 Y155 | G68-L104 VanDerWaalsContact CA-O 3.27Å; G68-L104 WeakPolarHBondContact CA-O 3.29Å; I69-L104 HydrophobicContact CD1-CB 4.41Å; I69-L104 HydrophobicContact CD1-CD2 4.37Å; I69-L104 HydrophobicContact CG1-CB 3.72Å; I69-L104 PolarHBondContact N-O 3.38Å; I69-L104 VanDerWaalsContact N-O 3.13Å; I69-L104 PolarHBondContact O-N 2.72Å; T71-L104 HydrophobicContact CG2-CB 4.15Å; T71-L104 HydrophobicContact CG2-CD1 4.27Å; T71-L104 HydrophobicContact CG2-CD2 4.43Å; L73-L104 HydrophobicContact CD1-CD1 4.45Å; L104-V112 HydrophobicContact CG-CB 4.33Å; L104-V112 HydrophobicContact CG-CG1 4.39Å; L104-V112 HydrophobicContact CG-CG2 4.45Å; L104-I114 HydrophobicContact CD1-CB 4.43Å; L104-I114 HydrophobicContact CD1-CD1 4.43Å; L104-I114 HydrophobicContact CD1-CG1 3.86Å; L104-I114 HydrophobicContact CD1-CG2 4.21Å; L104-Y155 HydrophobicContact CD2-CE1 4.42Å |
| 105 | I | 97.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117.4 | -171.9 | -51.9 | 175.1 | 0 | 0 | 0 | 108.8 | L66 N103 V107 V112 A113 Y204 P207 | L66-I105 HydrophobicContact CB-CG2 4.36Å; L66-I105 HydrophobicContact CD1-CG2 3.8Å; N103-I105 HydrophobicContact CB-CD1 4.23Å; N103-I105 HydrophobicContact CB-CG1 4.01Å; I105-V107 HydrophobicContact CG2-CG1 4.35Å; I105-V107 PolarHBondContact O-N 2.86Å; I105-V112 CarbonylContact O-C 3.59Å; I105-V112 VanDerWaalsContact O-CA 3.26Å; I105-V112 WeakPolarHBondContact O-CA 3.43Å; I105-A113 HydrophobicContact CB-CB 4.36Å; I105-A113 PolarHBondContact N-O 2.93Å; I105-A113 PolarHBondContact O-N 2.77Å; I105-Y204 HydrophobicContact CD1-CD1 4.07Å; I105-Y204 HydrophobicContact CD1-CG 4.11Å; I105-Y204 HydrophobicContact CG1-CD1 4.18Å; I105-Y204 HydrophobicContact CG1-CD2 3.94Å; I105-Y204 HydrophobicContact CG1-CE1 4.46Å; I105-Y204 HydrophobicContact CG1-CE2 4.21Å; I105-Y204 HydrophobicContact CG1-CG 3.91Å; I105-Y204 HydrophobicContact CG2-CD2 4.41Å; I105-Y204 HydrophobicContact CG2-CG 4.39Å; I105-P207 HydrophobicContact CD1-CG 4.42Å; I105-P207 HydrophobicContact CG2-CG 4.45Å |
| 106 | P | 97 | Very high | 97.2 | Very high | 44 Ų | 44 | 40.3 Ų | 40.3 | 29% | 0.286 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 109.4 | 179.9 | 29.5 | -33.3 | 0 | 0 | 0 | 110.7 | L66 K67 | L66-P106 HydrophobicContact CB-CG 4.43Å; L66-P106 WeakPolarHBondContact CD1-O 3.06Å; K67-P106 WeakPolarHBondContact O-CG 3.39Å |
| 107 | V | 96 | Very high | 97.4 | Very high | 31 Ų | 31 | 34.8 Ų | 34.8 | 19% | 0.188 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 5.7 | -178.8 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | I105 V111 A113 F137 K142 | I105-V107 HydrophobicContact CG2-CG1 4.35Å; I105-V107 PolarHBondContact O-N 2.86Å; V107-V111 HydrophobicContact CG2-CB 4.21Å; V107-V111 HydrophobicContact CG2-CG1 3.71Å; V107-V111 PolarHBondContact N-O 3.29Å; V107-A113 HydrophobicContact CG1-CB 3.96Å; V107-F137 HydrophobicContact CB-CZ 4.1Å; V107-F137 HydrophobicContact CG1-CE1 4.36Å; V107-F137 HydrophobicContact CG1-CE2 4.34Å; V107-F137 HydrophobicContact CG1-CZ 3.76Å; V107-F137 HydrophobicContact CG2-CZ 4.11Å; V107-K142 HydrophobicContact CG2-CG 4.26Å |
| 108 | G | 94.9 | Very high | 97.4 | Very high | 39 Ų | 39 | 38.8 Ų | 38.8 | 40% | 0.402 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.8 | 179.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R110 V111 | G108-R110 PolarHBondContact O-N 3.15Å; G108-V111 PolarHBondContact N-O 3.02Å; G108-V111 PolarHBondContact O-N 2.94Å; G108-V111 VanDerWaalsContact O-N 3.17Å |
| 109 | L | 95.3 | Very high | 97.4 | Very high | 164 Ų | 164 | 37 Ų | 37 | 86% | 0.859 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 108.4 | 176.4 | 179.4 | 64.8 | 0 | 0 | 0 | 109.9 | V111 | L109-V111 PolarHBondContact O-N 3.42Š|
| 110 | R | 96 | Very high | 97.4 | Very high | 157 Ų | 157 | 38.4 Ų | 38.4 | 59% | 0.592 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 30.2 | -175.1 | -53.7 | -60.7 | -169 | 175.1 | 2.3 | 113 | G108 K144 E145 | G108-R110 PolarHBondContact O-N 3.15Å; R110-K144 WeakPolarHBondContact O-CA 3.39Å; R110-E145 HydrophobicContact CB-CG 4.05Å; R110-E145 WeakPolarHBondContact CD-OE1 3.34Å; R110-E145 IonicContact NH1-OE1 3.48Å; R110-E145 PolarHBondContact NH1-OE1 3.01Å; R110-E145 WeakPolarHBondContact O-CG 3.39Å; R110-E145 PolarHBondContact O-N 2.78Å |
| 111 | V | 98 | Very high | 97.4 | Very high | 16 Ų | 16 | 39.6 Ų | 39.6 | 10% | 0.097 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.2 | 175 | -171 | 0 | 0 | 0 | 0 | 108.4 | V107 G108 L109 K142 F143 M158 | V107-V111 HydrophobicContact CG2-CB 4.21Å; V107-V111 HydrophobicContact CG2-CG1 3.71Å; V107-V111 PolarHBondContact N-O 3.29Å; G108-V111 PolarHBondContact N-O 3.02Å; G108-V111 PolarHBondContact O-N 2.94Å; G108-V111 VanDerWaalsContact O-N 3.17Å; L109-V111 PolarHBondContact O-N 3.42Å; V111-K142 HydrophobicContact CG1-CB 3.9Å; V111-K142 HydrophobicContact CG1-CG 4.48Å; V111-F143 CarbonylContact C-O 3.54Å; V111-F143 VanDerWaalsContact CA-O 3.32Å; V111-F143 WeakPolarHBondContact CA-O 3.48Å; V111-M158 HydrophobicContact CG1-CG 3.76Å; V111-M158 HydrophobicContact CG1-SD 4.11Å; V111-M158 HydrophobicContact CG2-CE 3.93Å; V111-M158 HydrophobicContact CG2-CG 4.41Å; V111-M158 HydrophobicContact CG2-SD 3.63Å |
| 112 | V | 98.2 | Very high | 97.4 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 148.1 | -178.4 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | L104 I105 I114 F143 E145 Y155 | L104-V112 HydrophobicContact CG-CB 4.33Å; L104-V112 HydrophobicContact CG-CG1 4.39Å; L104-V112 HydrophobicContact CG-CG2 4.45Å; I105-V112 CarbonylContact O-C 3.59Å; I105-V112 VanDerWaalsContact O-CA 3.26Å; I105-V112 WeakPolarHBondContact O-CA 3.43Å; V112-I114 HydrophobicContact CG2-CG1 4.2Å; V112-F143 HydrophobicContact CG2-CB 4.32Å; V112-F143 PolarHBondContact N-O 3.37Å; V112-F143 PolarHBondContact O-N 2.9Å; V112-E145 HydrophobicContact CG1-CG 4.23Å; V112-Y155 HydrophobicContact CG2-CD1 3.84Å; V112-Y155 HydrophobicContact CG2-CE1 3.8Å |
| 113 | A | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 139.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108 | I105 V107 Y122 F137 | I105-A113 HydrophobicContact CB-CB 4.36Å; I105-A113 PolarHBondContact N-O 2.93Å; I105-A113 PolarHBondContact O-N 2.77Å; V107-A113 HydrophobicContact CG1-CB 3.96Å; A113-Y122 HydrophobicContact CB-CD1 4.15Å; A113-Y122 HydrophobicContact CB-CE1 4.18Å; A113-F137 HydrophobicContact CB-CD2 4.12Å; A113-F137 HydrophobicContact CB-CE2 3.55Å; A113-F137 HydrophobicContact CB-CZ 4.34Å |
| 114 | I | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 116.1 | 178.5 | -50.6 | 179.1 | 0 | 0 | 0 | 106.9 | L73 F102 L104 V112 Y122 L123 F143 Y155 L171 | L73-I114 HydrophobicContact CD1-CD1 4.47Å; L73-I114 HydrophobicContact CD1-CG2 4.25Å; F102-I114 HydrophobicContact CB-CG2 4.12Å; F102-I114 HydrophobicContact CD1-CG2 3.66Å; F102-I114 HydrophobicContact CE1-CG2 4.35Å; F102-I114 HydrophobicContact CG-CG2 4.02Å; L104-I114 HydrophobicContact CD1-CB 4.43Å; L104-I114 HydrophobicContact CD1-CD1 4.43Å; L104-I114 HydrophobicContact CD1-CG1 3.86Å; L104-I114 HydrophobicContact CD1-CG2 4.21Å; V112-I114 HydrophobicContact CG2-CG1 4.2Å; I114-Y122 CarbonylContact O-C 3.44Å; I114-Y122 WeakPolarHBondContact O-CA 3.25Å; I114-L123 HydrophobicContact CB-CB 4.34Å; I114-L123 HydrophobicContact CB-CD1 4.13Å; I114-L123 HydrophobicContact CB-CG 4.33Å; I114-L123 HydrophobicContact CG2-CD1 3.73Å; I114-L123 HydrophobicContact CG2-CG 4.19Å; I114-L123 PolarHBondContact O-N 2.97Å; I114-F143 HydrophobicContact CD1-CD2 4.11Å; I114-F143 HydrophobicContact CD1-CG 4.37Å; I114-F143 HydrophobicContact CG1-CD2 4.19Å; I114-Y155 HydrophobicContact CD1-CD1 4.1Å; I114-Y155 HydrophobicContact CD1-CD2 4.38Å; I114-Y155 HydrophobicContact CD1-CE1 4.47Å; I114-Y155 HydrophobicContact CD1-CG 4.06Å; I114-L171 HydrophobicContact CD1-CD2 4.22Å |
| 115 | Q | 98.3 | Very high | 97.4 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133 | -176.3 | -173.3 | -168.5 | 42.4 | 0 | 0 | 110.7 | F102 N103 V117 K120 L121 Y122 | F102-Q115 CarbonylContact C-O 3.59Å; F102-Q115 VanDerWaalsContact CA-O 3.23Å; F102-Q115 WeakPolarHBondContact CA-O 3.34Å; N103-Q115 HydrophobicContact CB-CB 4.24Å; N103-Q115 PolarHBondContact N-O 2.94Å; N103-Q115 PolarHBondContact ND2-OE1 2.98Å; N103-Q115 PolarHBondContact O-N 3.44Å; Q115-V117 PolarHBondContact O-N 3.3Å; Q115-K120 WeakPolarHBondContact CG-O 3.37Å; Q115-K120 PolarHBondContact NE2-O 3.41Å; Q115-L121 CarbonylContact C-O 3.54Å; Q115-L121 VanDerWaalsContact CA-O 3.29Å; Q115-L121 WeakPolarHBondContact CA-O 2.73Å; Q115-L121 WeakPolarHBondContact CG-O 3.19Å; Q115-Y122 HydrophobicContact CB-CD1 3.76Å; Q115-Y122 HydrophobicContact CB-CE1 3.79Å; Q115-Y122 HydrophobicContact CG-CD1 4.07Å; Q115-Y122 HydrophobicContact CG-CE1 3.98Å; Q115-Y122 HydrophobicContact CG-CG 4.47Å; Q115-Y122 PolarHBondContact NE2-OH 3.05Å |
| 116 | G | 98.2 | Very high | 97.5 | Very high | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 130.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q118 K120 L121 | G116-Q118 VanDerWaalsContact C-N 3.35Å; G116-Q118 PolarHBondContact O-N 2.7Å; G116-K120 VanDerWaalsContact O-CA 3.27Å; G116-K120 WeakPolarHBondContact O-CA 3.27Å; G116-K120 PolarHBondContact O-N 3.32Å; G116-L121 PolarHBondContact N-O 2.9Å |
| 117 | V | 97.6 | Very high | 97.5 | Very high | 28 Ų | 28 | 41.3 Ų | 41.3 | 17% | 0.17 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -40.9 | -179.1 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | V70 L101 N103 Q115 K120 | V70-V117 HydrophobicContact CG1-CG2 4.13Å; L101-V117 HydrophobicContact CB-CB 3.88Å; L101-V117 HydrophobicContact CB-CG2 3.79Å; L101-V117 WeakPolarHBondContact O-CB 3.43Å; L101-V117 WeakPolarHBondContact O-CG2 3.48Å; L101-V117 PolarHBondContact O-N 2.68Å; N103-V117 WeakPolarHBondContact OD1-CG2 3.23Å; Q115-V117 PolarHBondContact O-N 3.3Å; V117-K120 WeakPolarHBondContact O-CD 3.19Å; V117-K120 VanDerWaalsContact O-CE 3.28Å; V117-K120 WeakPolarHBondContact O-CE 3.08Å; V117-K120 PolarHBondContact O-NZ 2.78Å |
| 118 | Q | 97.1 | Very high | 97.5 | Very high | 98 Ų | 98 | 45.1 Ų | 45.1 | 46% | 0.458 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -50.1 | -178.3 | -63.9 | -59.5 | -18.4 | 0 | 0 | 111.8 | T98 Y99 G116 | T98-Q118 WeakPolarHBondContact O-CG 3.37Å; Y99-Q118 HydrophobicContact CD1-CB 3.95Å; Y99-Q118 HydrophobicContact CD1-CG 4.28Å; Y99-Q118 HydrophobicContact CE1-CB 3.99Å; Y99-Q118 HydrophobicContact CE1-CG 4.48Å; G116-Q118 VanDerWaalsContact C-N 3.35Å; G116-Q118 PolarHBondContact O-N 2.7Å |
| 119 | T | 96.9 | Very high | 97.6 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -19.7 | -173.1 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | Q84 Y99 L121 | Q84-T119 WeakPolarHBondContact O-CG2 3.47Å; Y99-T119 HydrophobicContact CD1-CG2 4.35Å; Y99-T119 HydrophobicContact CE1-CG2 4.34Å; T119-L121 PolarHBondContact O-N 2.85Å; T119-L121 PolarHBondContact OG1-N 3.41Å |
| 120 | K | 97.3 | Very high | 97.8 | Very high | 114 Ų | 114 | 41 Ų | 41 | 50% | 0.496 | 19% | 0.194 | S | C | . | . | trans | 59.6 | 6.5 | -170.3 | -51.7 | -54.6 | -175.9 | -163.5 | 0 | 114.9 | Q115 G116 V117 | Q115-K120 WeakPolarHBondContact CG-O 3.37Å; Q115-K120 PolarHBondContact NE2-O 3.41Å; G116-K120 VanDerWaalsContact O-CA 3.27Å; G116-K120 WeakPolarHBondContact O-CA 3.27Å; G116-K120 PolarHBondContact O-N 3.32Å; V117-K120 WeakPolarHBondContact O-CD 3.19Å; V117-K120 VanDerWaalsContact O-CE 3.28Å; V117-K120 WeakPolarHBondContact O-CE 3.08Å; V117-K120 PolarHBondContact O-NZ 2.78Å | ||
| 121 | L | 98.2 | Very high | 97.9 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 13% | 0.131 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -75.3 | 140.2 | 175.2 | -62.5 | 173.3 | 0 | 0 | 0 | 110.3 | L83 Q115 G116 T119 T133 E135 | L83-L121 HydrophobicContact CD2-CB 4.13Å; Q115-L121 CarbonylContact C-O 3.54Å; Q115-L121 VanDerWaalsContact CA-O 3.29Å; Q115-L121 WeakPolarHBondContact CA-O 2.73Å; Q115-L121 WeakPolarHBondContact CG-O 3.19Å; G116-L121 PolarHBondContact N-O 2.9Å; T119-L121 PolarHBondContact O-N 2.85Å; T119-L121 PolarHBondContact OG1-N 3.41Å; L121-T133 HydrophobicContact CB-CG2 4.45Å; L121-T133 HydrophobicContact CD1-CG2 4.32Å; L121-E135 HydrophobicContact CD2-CB 4.3Å; L121-E135 HydrophobicContact CD2-CG 3.49Å; L121-E135 VanDerWaalsContact CD2-CG 3.49Å |
| 122 | Y | 98.4 | Very high | 97.9 | Very high | 25 Ų | 25 | 37.3 Ų | 37.3 | 10% | 0.098 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 140.7 | 170.5 | -65.1 | -80.5 | 0 | 0 | 0 | 110.1 | A113 I114 Q115 T133 S134 F137 | A113-Y122 HydrophobicContact CB-CD1 4.15Å; A113-Y122 HydrophobicContact CB-CE1 4.18Å; I114-Y122 CarbonylContact O-C 3.44Å; I114-Y122 WeakPolarHBondContact O-CA 3.25Å; Q115-Y122 HydrophobicContact CB-CD1 3.76Å; Q115-Y122 HydrophobicContact CB-CE1 3.79Å; Q115-Y122 HydrophobicContact CG-CD1 4.07Å; Q115-Y122 HydrophobicContact CG-CE1 3.98Å; Q115-Y122 HydrophobicContact CG-CG 4.47Å; Q115-Y122 PolarHBondContact NE2-OH 3.05Å; Y122-T133 CarbonylContact O-C 3.56Å; Y122-T133 VanDerWaalsContact O-CA 3.31Å; Y122-T133 WeakPolarHBondContact O-CA 3.43Å; Y122-S134 PolarHBondContact N-O 3.35Å; Y122-S134 PolarHBondContact O-N 2.82Å; Y122-F137 HydrophobicContact CD1-CD2 4.22Å; Y122-F137 HydrophobicContact CD2-CB 4.36Å; Y122-F137 HydrophobicContact CE1-CD2 4.22Å; Y122-F137 HydrophobicContact CE2-CB 4Å |
| 123 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 138.7 | 161 | -60.6 | -175.3 | 0 | 0 | 0 | 108.6 | L81 L83 I89 F102 I114 C141 F143 | L81-L123 HydrophobicContact CD2-CD1 3.98Å; L83-L123 HydrophobicContact CD2-CD2 4.1Å; I89-L123 HydrophobicContact CD1-CD2 3.53Å; I89-L123 HydrophobicContact CG1-CD2 3.7Å; I89-L123 HydrophobicContact CG2-CD2 4.25Å; F102-L123 HydrophobicContact CE1-CD1 4.37Å; I114-L123 HydrophobicContact CB-CB 4.34Å; I114-L123 HydrophobicContact CB-CD1 4.13Å; I114-L123 HydrophobicContact CB-CG 4.33Å; I114-L123 HydrophobicContact CG2-CD1 3.73Å; I114-L123 HydrophobicContact CG2-CG 4.19Å; I114-L123 PolarHBondContact O-N 2.97Å; L123-C141 WeakPolarHBondContact O-CA 3.27Å; L123-F143 HydrophobicContact CB-CE2 4.02Å; L123-F143 HydrophobicContact CB-CZ 4.27Å; L123-F143 VanDerWaalsContact O-CE2 3.32Å; L123-F143 WeakPolarHBondContact O-CE2 3.49Å |
| 124 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 157.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L131 Y132 E140 | A124-L131 VanDerWaalsContact O-CA 3.3Å; A124-L131 WeakPolarHBondContact O-CA 3.45Å; A124-Y132 HydrophobicContact CB-CD1 3.99Å; A124-Y132 HydrophobicContact CB-CD2 4.32Å; A124-Y132 HydrophobicContact CB-CE1 3.45Å; A124-Y132 VanDerWaalsContact CB-CE1 3.45Å; A124-Y132 HydrophobicContact CB-CE2 3.81Å; A124-Y132 HydrophobicContact CB-CG 4.4Å; A124-Y132 PolarHBondContact N-O 2.77Å; A124-Y132 PolarHBondContact O-N 2.81Å; A124-E140 WeakPolarHBondContact CA-O 3.36Å; A124-E140 HydrophobicContact CB-CB 4.12Å |
| 125 | M | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 122 | 175.1 | -177 | -176.7 | -68.6 | 0 | 0 | 109.2 | Y130 L131 E140 F143 Y160 W169 | M125-Y130 WeakPolarHBondContact CA-O 3.14Å; M125-L131 HydrophobicContact CE-CD1 3.77Å; M125-L131 HydrophobicContact CE-CD2 4.41Å; M125-L131 HydrophobicContact CE-CG 3.99Å; M125-E140 PolarHBondContact N-O 2.84Å; M125-E140 WeakPolarHBondContact O-CG 3.4Å; M125-F143 HydrophobicContact CB-CE1 4.37Å; M125-F143 HydrophobicContact CB-CZ 4.49Å; M125-F143 HydrophobicContact CE-CE1 4.41Å; M125-Y160 WeakPolarHBondContact O-CD2 3.38Å; M125-Y160 VanDerWaalsContact O-CE2 3.23Å; M125-Y160 WeakPolarHBondContact O-CE2 3.49Å; M125-W169 HydrophobicContact SD-CB 3.71Å; M125-W169 HydrophobicContact SD-CE3 4.17Å |
| 126 | N | 97.4 | Very high | 97.7 | Very high | 38 Ų | 38 | 48.9 Ų | 48.9 | 20% | 0.203 | 24% | 0.239 | C | C | . | . | trans | -80.5 | 174.4 | -177.5 | 74.9 | 5.7 | 0 | 0 | 0 | 112.7 | E128 G129 Y130 Y132 E140 Y160 | N126-E128 PolarHBondContact O-N 2.85Å; N126-E128 WeakPolarHBondContact OD1-CB 3.23Å; N126-E128 PolarHBondContact OD1-N 3.17Å; N126-E128 VanDerWaalsContact OD1-N 3.12Å; N126-G129 PolarHBondContact O-N 2.89Å; N126-G129 PolarHBondContact OD1-N 3.48Å; N126-Y130 PolarHBondContact N-O 3.31Å; N126-Y130 PolarHBondContact OD1-N 2.58Å; N126-Y130 PolarHBondContact OD1-O 2.89Å; N126-Y132 HydrophobicContact CB-CD1 4.11Å; N126-Y132 HydrophobicContact CB-CE1 3.86Å; N126-E140 WeakPolarHBondContact CA-OE1 3.47Å; N126-Y160 VanDerWaalsContact C-CD2 3.46Å; N126-Y160 WeakPolarHBondContact O-CD2 3.35Å; N126-Y160 WeakPolarHBondContact O-CE2 3.49Å | ||
| 127 | S | 97 | Very high | 97.6 | Very high | 72 Ų | 72 | 49.3 Ų | 49.3 | 50% | 0.503 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -19.5 | -179.4 | 61.1 | 0 | 0 | 0 | 0 | 114.7 | Y160 W169 | S127-Y160 VanDerWaalsContact CA-CZ 3.4Å; S127-W169 WeakPolarHBondContact O-CH2 3.36Å; S127-W169 VanDerWaalsContact O-CZ3 3.25Å; S127-W169 WeakPolarHBondContact O-CZ3 3.4Å |
| 128 | E | 97.1 | Very high | 97.6 | Very high | 112 Ų | 112 | 48 Ų | 48 | 52% | 0.523 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -16.7 | 174.9 | -60.5 | -178.8 | 173.1 | 0 | 0 | 111.9 | N126 Y130 K181 | N126-E128 PolarHBondContact O-N 2.85Å; N126-E128 WeakPolarHBondContact OD1-CB 3.23Å; N126-E128 PolarHBondContact OD1-N 3.17Å; N126-E128 VanDerWaalsContact OD1-N 3.12Å; E128-Y130 HydrophobicContact CB-CD2 3.73Å; E128-Y130 HydrophobicContact CB-CE2 3.96Å; E128-Y130 WeakPolarHBondContact OE2-CD2 3.49Å; E128-Y130 VanDerWaalsContact OE2-CE2 3.22Å; E128-Y130 WeakPolarHBondContact OE2-CE2 3.41Å; E128-K181 WeakPolarHBondContact O-CE 3.28Å; E128-K181 PolarHBondContact O-NZ 2.9Å |
| 129 | G | 97.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 95.9 | 7.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N126 W169 K181 G182 | N126-G129 PolarHBondContact O-N 2.89Å; N126-G129 PolarHBondContact OD1-N 3.48Å; G129-W169 VanDerWaalsContact CA-CE3 3.46Å; G129-K181 CarbonylContact O-C 3.51Å; G129-K181 WeakPolarHBondContact O-CG 3.32Å; G129-G182 PolarHBondContact O-N 2.89Å |
| 130 | Y | 98.3 | Very high | 97.6 | Very high | 116 Ų | 116 | 44 Ų | 44 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | trans | -74.7 | 137.7 | 170.5 | -64.2 | -71.2 | 0 | 0 | 0 | 110 | M125 N126 E128 K181 | M125-Y130 WeakPolarHBondContact CA-O 3.14Å; N126-Y130 PolarHBondContact N-O 3.31Å; N126-Y130 PolarHBondContact OD1-N 2.58Å; N126-Y130 PolarHBondContact OD1-O 2.89Å; E128-Y130 HydrophobicContact CB-CD2 3.73Å; E128-Y130 HydrophobicContact CB-CE2 3.96Å; E128-Y130 WeakPolarHBondContact OE2-CD2 3.49Å; E128-Y130 VanDerWaalsContact OE2-CE2 3.22Å; E128-Y130 WeakPolarHBondContact OE2-CE2 3.41Å; Y130-K181 HydrophobicContact CD1-CD 4.37Å; Y130-K181 HydrophobicContact CD1-CG 4.07Å; Y130-K181 HydrophobicContact CE1-CD 3.85Å; Y130-K181 HydrophobicContact CE1-CG 4.03Å; Y130-K181 PolarHBondContact OH-NZ 2.85Å | ||
| 131 | L | 98.3 | Very high | 97.7 | Very high | 22 Ų | 22 | 38.6 Ų | 38.6 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 139.9 | 168.7 | -71.4 | 91.8 | 0 | 0 | 0 | 109.1 | I89 A124 M125 L171 I179 M180 | I89-L131 HydrophobicContact CD1-CB 4.21Å; A124-L131 VanDerWaalsContact O-CA 3.3Å; A124-L131 WeakPolarHBondContact O-CA 3.45Å; M125-L131 HydrophobicContact CE-CD1 3.77Å; M125-L131 HydrophobicContact CE-CD2 4.41Å; M125-L131 HydrophobicContact CE-CG 3.99Å; L131-L171 HydrophobicContact CD2-CB 4.18Å; L131-L171 HydrophobicContact CD2-CD1 3.27Å; L131-L171 HydrophobicContact CD2-CG 4.29Å; L131-I179 HydrophobicContact CB-CD1 4.43Å; L131-I179 HydrophobicContact CB-CG1 4.07Å; L131-I179 HydrophobicContact CD1-CD1 4.15Å; L131-I179 HydrophobicContact CD1-CG1 4.08Å; L131-I179 HydrophobicContact CD2-CD1 3.93Å; L131-I179 HydrophobicContact CD2-CG1 4.45Å; L131-I179 HydrophobicContact CG-CD1 4.4Å; L131-I179 HydrophobicContact CG-CG1 4.43Å; L131-M180 VanDerWaalsContact CD1-O 3.28Å; L131-M180 WeakPolarHBondContact CD1-O 3.45Å |
| 132 | Y | 98 | Very high | 97.7 | Very high | 73 Ų | 73 | 39.9 Ų | 39.9 | 29% | 0.286 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 174.2 | 179.2 | 74.1 | -82.5 | 0 | 0 | 0 | 109.2 | A124 N126 E140 | A124-Y132 HydrophobicContact CB-CD1 3.99Å; A124-Y132 HydrophobicContact CB-CD2 4.32Å; A124-Y132 HydrophobicContact CB-CE1 3.45Å; A124-Y132 VanDerWaalsContact CB-CE1 3.45Å; A124-Y132 HydrophobicContact CB-CE2 3.81Å; A124-Y132 HydrophobicContact CB-CG 4.4Å; A124-Y132 PolarHBondContact N-O 2.77Å; A124-Y132 PolarHBondContact O-N 2.81Å; N126-Y132 HydrophobicContact CB-CD1 4.11Å; N126-Y132 HydrophobicContact CB-CE1 3.86Å; Y132-E140 WeakPolarHBondContact CE1-OE2 3.29Å; Y132-E140 PolarHBondContact OH-OE2 3.01Å |
| 133 | T | 98.2 | Very high | 97.7 | Very high | 38 Ų | 38 | 38.7 Ų | 38.7 | 23% | 0.233 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.4 | 178.6 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | L83 G87 I89 L121 Y122 | L83-T133 HydrophobicContact CD1-CG2 3.34Å; L83-T133 HydrophobicContact CD2-CG2 4.33Å; L83-T133 HydrophobicContact CG-CG2 4.49Å; G87-T133 WeakPolarHBondContact O-CG2 3.38Å; I89-T133 HydrophobicContact CD1-CG2 3.95Å; I89-T133 HydrophobicContact CG1-CG2 3.94Å; L121-T133 HydrophobicContact CB-CG2 4.45Å; L121-T133 HydrophobicContact CD1-CG2 4.32Å; Y122-T133 CarbonylContact O-C 3.56Å; Y122-T133 VanDerWaalsContact O-CA 3.31Å; Y122-T133 WeakPolarHBondContact O-CA 3.43Å |
| 134 | S | 97.4 | Very high | 97.7 | Very high | 8 Ų | 8 | 43.2 Ų | 43.2 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.8 | 177.2 | -177.7 | 0 | 0 | 0 | 0 | 110.6 | Y122 L136 | Y122-S134 PolarHBondContact N-O 3.35Å; Y122-S134 PolarHBondContact O-N 2.82Å; S134-L136 WeakPolarHBondContact CB-O 3.28Å; S134-L136 PolarHBondContact OG-N 3.15Å; S134-L136 PolarHBondContact OG-O 2.85Å |
| 135 | E | 96.4 | Very high | 97.6 | Very high | 160 Ų | 160 | 45.3 Ų | 45.3 | 75% | 0.748 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -69.2 | -40 | 171.3 | -68.6 | -179.4 | -173.3 | 0 | 0 | 111.6 | L121 | L121-E135 HydrophobicContact CD2-CB 4.3Å; L121-E135 HydrophobicContact CD2-CG 3.49Å; L121-E135 VanDerWaalsContact CD2-CG 3.49Å |
| 136 | L | 96.5 | Very high | 97.6 | Very high | 64 Ų | 64 | 46.8 Ų | 46.8 | 34% | 0.335 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -93.4 | 147.3 | -177.9 | -62.6 | -178.6 | 0 | 0 | 0 | 110.6 | S134 T138 H210 F215 | S134-L136 WeakPolarHBondContact CB-O 3.28Å; S134-L136 PolarHBondContact OG-N 3.15Å; S134-L136 PolarHBondContact OG-O 2.85Å; L136-T138 PolarHBondContact O-N 2.83Å; L136-H210 HydrophobicContact CB-CB 4.47Å; L136-H210 HydrophobicContact CD1-CB 4.48Å; L136-F215 HydrophobicContact CB-CE1 4.11Å; L136-F215 HydrophobicContact CB-CZ 3.73Å; L136-F215 HydrophobicContact CD1-CE1 3.75Å; L136-F215 HydrophobicContact CD1-CZ 3.72Å; L136-F215 HydrophobicContact CG-CE1 4.22Å; L136-F215 HydrophobicContact CG-CZ 4.22Å |
| 137 | F | 96.8 | Very high | 97.5 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 4% | 0.044 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -81.4 | 109.8 | 175.9 | 180 | -114.5 | 0 | 0 | 0 | 110.7 | V107 A113 Y122 C141 K142 P207 L209 H210 | V107-F137 HydrophobicContact CB-CZ 4.1Å; V107-F137 HydrophobicContact CG1-CE1 4.36Å; V107-F137 HydrophobicContact CG1-CE2 4.34Å; V107-F137 HydrophobicContact CG1-CZ 3.76Å; V107-F137 HydrophobicContact CG2-CZ 4.11Å; A113-F137 HydrophobicContact CB-CD2 4.12Å; A113-F137 HydrophobicContact CB-CE2 3.55Å; A113-F137 HydrophobicContact CB-CZ 4.34Å; Y122-F137 HydrophobicContact CD1-CD2 4.22Å; Y122-F137 HydrophobicContact CD2-CB 4.36Å; Y122-F137 HydrophobicContact CE1-CD2 4.22Å; Y122-F137 HydrophobicContact CE2-CB 4Å; F137-C141 HydrophobicContact CD2-CB 3.56Å; F137-C141 HydrophobicContact CE2-CB 3.71Å; F137-K142 HydrophobicContact CE2-CG 4.14Å; F137-K142 HydrophobicContact CZ-CD 4.33Å; F137-K142 HydrophobicContact CZ-CG 3.75Å; F137-P207 HydrophobicContact CB-CB 3.71Å; F137-P207 HydrophobicContact CD1-CB 3.6Å; F137-P207 HydrophobicContact CD2-CB 4.28Å; F137-P207 HydrophobicContact CE1-CB 4.25Å; F137-P207 HydrophobicContact CG-CB 3.6Å; F137-P207 HydrophobicContact CG-CG 4.48Å; F137-L209 HydrophobicContact CD1-CB 4.38Å; F137-L209 HydrophobicContact CD1-CD1 3.95Å; F137-L209 HydrophobicContact CE1-CD1 3.87Å; F137-L209 WeakPolarHBondContact O-CA 3.46Å; F137-H210 PolarHBondContact O-N 3.3Å |
| 138 | T | 97 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -113.3 | 169.7 | -178.8 | 67.4 | 0 | 0 | 0 | 0 | 111.5 | L136 E140 C141 L212 F215 | L136-T138 PolarHBondContact O-N 2.83Å; T138-E140 PolarHBondContact O-N 3.47Å; T138-E140 PolarHBondContact OG1-N 3.49Å; T138-C141 PolarHBondContact N-SG 3.2Å; T138-C141 VanDerWaalsContact N-SG 3.42Å; T138-C141 VanDerWaalsContact O-CB 3.32Å; T138-C141 WeakPolarHBondContact O-CB 3.37Å; T138-C141 PolarHBondContact O-N 2.82Å; T138-C141 PolarHBondContact OG1-SG 2.99Å; T138-C141 VanDerWaalsContact OG1-SG 3.33Å; T138-L212 HydrophobicContact CG2-CD2 4.11Å; T138-F215 HydrophobicContact CG2-CE2 3.33Å; T138-F215 HydrophobicContact CG2-CZ 3.35Å | ||
| 139 | P | 97.1 | Very high | 97.3 | Very high | 30 Ų | 30 | 48.6 Ų | 48.6 | 20% | 0.195 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -55 | -28.9 | 170 | -27.8 | 35.8 | 0 | 0 | 0 | 114.1 | C141 K142 L209 H210 | P139-C141 PolarHBondContact O-N 3.01Å; P139-K142 WeakPolarHBondContact O-CB 3.33Å; P139-K142 PolarHBondContact O-N 3.17Å; P139-L209 HydrophobicContact CG-CD1 4.19Å; P139-H210 WeakPolarHBondContact CD-O 3.28Å |
| 140 | E | 98 | Very high | 97 | Very high | 18 Ų | 18 | 56.3 Ų | 56.3 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -69.9 | -20.2 | 176.5 | -72.4 | -172.8 | 165.5 | 0 | 0 | 113.3 | A124 M125 N126 Y132 T138 K142 I159 Y160 L212 | A124-E140 WeakPolarHBondContact CA-O 3.36Å; A124-E140 HydrophobicContact CB-CB 4.12Å; M125-E140 PolarHBondContact N-O 2.84Å; M125-E140 WeakPolarHBondContact O-CG 3.4Å; N126-E140 WeakPolarHBondContact CA-OE1 3.47Å; Y132-E140 WeakPolarHBondContact CE1-OE2 3.29Å; Y132-E140 PolarHBondContact OH-OE2 3.01Å; T138-E140 PolarHBondContact O-N 3.47Å; T138-E140 PolarHBondContact OG1-N 3.49Å; E140-K142 PolarHBondContact O-N 2.88Å; E140-I159 HydrophobicContact CG-CD1 3.75Å; E140-Y160 HydrophobicContact CG-CE2 3.9Å; E140-Y160 WeakPolarHBondContact OE1-CE2 3.39Å; E140-Y160 PolarHBondContact OE1-OH 3.37Å; E140-L212 HydrophobicContact CB-CD2 4.41Å; E140-L212 HydrophobicContact CG-CD1 4.12Å; E140-L212 HydrophobicContact CG-CD2 3.88Å |
| 141 | C | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -80 | -2.9 | 176.7 | -57.9 | 0 | 0 | 0 | 0 | 113.4 | L123 F137 T138 P139 | L123-C141 WeakPolarHBondContact O-CA 3.27Å; F137-C141 HydrophobicContact CD2-CB 3.56Å; F137-C141 HydrophobicContact CE2-CB 3.71Å; T138-C141 PolarHBondContact N-SG 3.2Å; T138-C141 VanDerWaalsContact N-SG 3.42Å; T138-C141 VanDerWaalsContact O-CB 3.32Å; T138-C141 WeakPolarHBondContact O-CB 3.37Å; T138-C141 PolarHBondContact O-N 2.82Å; T138-C141 PolarHBondContact OG1-SG 2.99Å; T138-C141 VanDerWaalsContact OG1-SG 3.33Å; P139-C141 PolarHBondContact O-N 3.01Å |
| 142 | K | 98.2 | Very high | 96.7 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 22% | 0.222 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 115.7 | -176.5 | -63.4 | -176.2 | -179.7 | 177.3 | 0 | 110.6 | V107 V111 F137 P139 E140 M158 | V107-K142 HydrophobicContact CG2-CG 4.26Å; V111-K142 HydrophobicContact CG1-CB 3.9Å; V111-K142 HydrophobicContact CG1-CG 4.48Å; F137-K142 HydrophobicContact CE2-CG 4.14Å; F137-K142 HydrophobicContact CZ-CD 4.33Å; F137-K142 HydrophobicContact CZ-CG 3.75Å; P139-K142 WeakPolarHBondContact O-CB 3.33Å; P139-K142 PolarHBondContact O-N 3.17Å; E140-K142 PolarHBondContact O-N 2.88Å; K142-M158 HydrophobicContact CB-CB 4.01Å; K142-M158 HydrophobicContact CB-CG 3.79Å; K142-M158 WeakPolarHBondContact O-CB 3.32Å; K142-M158 VanDerWaalsContact O-CG 3.28Å; K142-M158 WeakPolarHBondContact O-CG 3.42Å; K142-M158 PolarHBondContact O-N 3.14Å; K142-M158 VanDerWaalsContact O-N 3.12Å |
| 143 | F | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.8 | 174.6 | -64.2 | -88.7 | 0 | 0 | 0 | 111.1 | V111 V112 I114 L123 M125 E145 Y155 S156 | V111-F143 CarbonylContact C-O 3.54Å; V111-F143 VanDerWaalsContact CA-O 3.32Å; V111-F143 WeakPolarHBondContact CA-O 3.48Å; V112-F143 HydrophobicContact CG2-CB 4.32Å; V112-F143 PolarHBondContact N-O 3.37Å; V112-F143 PolarHBondContact O-N 2.9Å; I114-F143 HydrophobicContact CD1-CD2 4.11Å; I114-F143 HydrophobicContact CD1-CG 4.37Å; I114-F143 HydrophobicContact CG1-CD2 4.19Å; L123-F143 HydrophobicContact CB-CE2 4.02Å; L123-F143 HydrophobicContact CB-CZ 4.27Å; L123-F143 VanDerWaalsContact O-CE2 3.32Å; L123-F143 WeakPolarHBondContact O-CE2 3.49Å; M125-F143 HydrophobicContact CB-CE1 4.37Å; M125-F143 HydrophobicContact CB-CZ 4.49Å; M125-F143 HydrophobicContact CE-CE1 4.41Å; F143-E145 PolarHBondContact O-N 3.12Å; F143-Y155 HydrophobicContact CB-CD1 4.46Å; F143-S156 CarbonylContact C-O 3.59Å; F143-S156 VanDerWaalsContact CA-O 3.32Å; F143-S156 WeakPolarHBondContact CA-O 3.36Å |
| 144 | K | 98.3 | Very high | 96.7 | Very high | 96 Ų | 96 | 54.4 Ų | 54.4 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 116.6 | 166.4 | -176.7 | 178 | 178.7 | 178 | 0 | 108.7 | R110 Y155 S156 M158 | R110-K144 WeakPolarHBondContact O-CA 3.39Å; K144-Y155 WeakPolarHBondContact O-CA 3.48Å; K144-S156 PolarHBondContact N-O 3.26Å; K144-S156 PolarHBondContact O-N 2.99Å; K144-M158 HydrophobicContact CB-CG 4.43Å; K144-M158 HydrophobicContact CB-SD 3.74Å; K144-M158 HydrophobicContact CG-SD 4.47Å |
| 145 | E | 97.3 | Very high | 96.8 | Very high | 43 Ų | 43 | 54.1 Ų | 54.1 | 20% | 0.201 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 139 | 169.8 | 55.3 | 164.1 | -150.7 | 0 | 0 | 110.1 | R110 V112 F143 V153 T154 Y155 | R110-E145 HydrophobicContact CB-CG 4.05Å; R110-E145 WeakPolarHBondContact CD-OE1 3.34Å; R110-E145 IonicContact NH1-OE1 3.48Å; R110-E145 PolarHBondContact NH1-OE1 3.01Å; R110-E145 WeakPolarHBondContact O-CG 3.39Å; R110-E145 PolarHBondContact O-N 2.78Å; V112-E145 HydrophobicContact CG1-CG 4.23Å; F143-E145 PolarHBondContact O-N 3.12Å; E145-V153 HydrophobicContact CB-CG1 4.27Å; E145-T154 CarbonylContact C-O 3.57Å; E145-T154 WeakPolarHBondContact CA-O 3.32Å; E145-Y155 HydrophobicContact CB-CD1 4.02Å; E145-Y155 HydrophobicContact CB-CE1 3.89Å |
| 146 | S | 97.2 | Very high | 96.8 | Very high | 32 Ų | 32 | 46.8 Ų | 46.8 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 134.3 | 176.9 | -72.8 | 0 | 0 | 0 | 0 | 110.6 | T154 | S146-T154 PolarHBondContact N-O 2.97Å; S146-T154 PolarHBondContact O-N 2.75Å; S146-T154 PolarHBondContact O-OG1 2.74Å |
| 147 | V | 96.8 | Very high | 96.9 | Very high | 95 Ų | 95 | 43.8 Ų | 43.8 | 58% | 0.576 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 144.9 | 173.9 | -64.4 | 0 | 0 | 0 | 0 | 110.9 | Y152 | V147-Y152 CarbonylContact C-O 3.5Å; V147-Y152 VanDerWaalsContact CA-O 3.3Å; V147-Y152 WeakPolarHBondContact CA-O 3.39Å |
| 148 | F | 95.7 | Very high | 96.9 | Very high | 32 Ų | 32 | 46.1 Ų | 46.1 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 128.1 | 174.3 | -177 | -95.4 | 0 | 0 | 0 | 108.8 | N150 Y151 Y152 T154 K187 N188 H193 | F148-N150 PolarHBondContact O-N 2.97Å; F148-Y151 PolarHBondContact O-N 2.79Å; F148-Y151 VanDerWaalsContact O-N 3.14Å; F148-Y152 HydrophobicContact CD1-CD2 4.48Å; F148-Y152 PolarHBondContact N-O 3.25Å; F148-Y152 PolarHBondContact O-N 3.39Å; F148-T154 HydrophobicContact CB-CG2 4.02Å; F148-K187 HydrophobicContact CD2-CD 4.41Å; F148-K187 HydrophobicContact CD2-CG 4.19Å; F148-N188 HydrophobicContact CE2-CB 4.03Å; F148-N188 HydrophobicContact CZ-CB 4Å; F148-H193 AromaticContact CD1-CD2 3.91Å; F148-H193 AromaticContact CD1-CE1 3.45Å; F148-H193 VanDerWaalsContact CD1-CE1 3.45Å; F148-H193 WeakPolarHBondContact CD1-CE1 3.49Å; F148-H193 AromaticContact CD1-NE2 3.2Å; F148-H193 WeakPolarHBondContact CD1-NE2 3.47Å; F148-H193 AromaticContact CE1-CE1 3.35Å; F148-H193 WeakPolarHBondContact CE1-CE1 3.41Å; F148-H193 AromaticContact CE1-NE2 3.38Å; F148-H193 WeakPolarHBondContact CE1-NE2 3.38Å; F148-H193 AromaticContact CG-NE2 3.73Å |
| 149 | E | 93.1 | Very high | 96.9 | Very high | 133 Ų | 133 | 49.5 Ų | 49.5 | 62% | 0.621 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 31.3 | -176.7 | -67.8 | 175.2 | 174.8 | 0 | 0 | 113.9 | Y151 | E149-Y151 PolarHBondContact O-N 2.85Š|
| 150 | N | 91.2 | Very high | 96.9 | Very high | 161 Ų | 161 | 50.3 Ų | 50.3 | 86% | 0.861 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 5.2 | -178.1 | -66.9 | 75.9 | 0 | 0 | 0 | 116 | F148 | F148-N150 PolarHBondContact O-N 2.97Š|
| 151 | Y | 92.5 | Very high | 96.9 | Very high | 142 Ų | 142 | 54.7 Ų | 54.7 | 56% | 0.557 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122 | -45.4 | -174 | -173.4 | -99.2 | 0 | 0 | 0 | 112.6 | F148 E149 | F148-Y151 PolarHBondContact O-N 2.79Å; F148-Y151 VanDerWaalsContact O-N 3.14Å; E149-Y151 PolarHBondContact O-N 2.85Å |
| 152 | Y | 97.6 | Very high | 96.8 | Very high | 43 Ų | 43 | 58 Ų | 58 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 152.5 | -177.9 | -61.5 | -73.8 | 0 | 0 | 0 | 111.8 | R76 V147 F148 H193 | R76-Y152 HydrophobicContact CB-CD1 4.48Å; R76-Y152 HydrophobicContact CB-CE1 3.95Å; R76-Y152 VanDerWaalsContact CD-CZ 3.48Å; R76-Y152 HydrophobicContact CG-CE1 3.91Å; V147-Y152 CarbonylContact C-O 3.5Å; V147-Y152 VanDerWaalsContact CA-O 3.3Å; V147-Y152 WeakPolarHBondContact CA-O 3.39Å; F148-Y152 HydrophobicContact CD1-CD2 4.48Å; F148-Y152 PolarHBondContact N-O 3.25Å; F148-Y152 PolarHBondContact O-N 3.39Å; Y152-H193 HydrophobicContact CD1-CB 3.69Å; Y152-H193 HydrophobicContact CD2-CB 4.3Å; Y152-H193 AromaticContact CD2-ND1 3.94Å; Y152-H193 HydrophobicContact CE1-CB 4.32Å; Y152-H193 HydrophobicContact CG-CB 3.67Å; Y152-H193 AromaticContact CG-CG 3.93Å |
| 153 | V | 98.2 | Very high | 96.5 | Very high | 25 Ų | 25 | 63.9 Ų | 63.9 | 15% | 0.152 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 136.4 | 169.6 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | E145 Y155 F194 P196 | E145-V153 HydrophobicContact CB-CG1 4.27Å; V153-Y155 HydrophobicContact CG1-CE1 3.88Å; V153-Y155 HydrophobicContact CG1-CE2 4.04Å; V153-F194 PolarHBondContact N-O 3.41Å; V153-F194 PolarHBondContact O-N 2.92Å; V153-P196 HydrophobicContact CB-CG 4.25Å; V153-P196 HydrophobicContact CG2-CG 3.91Å |
| 154 | T | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 142 | 175.1 | 60.8 | 0 | 0 | 0 | 0 | 108.6 | E145 S146 F148 K187 A192 | E145-T154 CarbonylContact C-O 3.57Å; E145-T154 WeakPolarHBondContact CA-O 3.32Å; S146-T154 PolarHBondContact N-O 2.97Å; S146-T154 PolarHBondContact O-N 2.75Å; S146-T154 PolarHBondContact O-OG1 2.74Å; F148-T154 HydrophobicContact CB-CG2 4.02Å; T154-K187 HydrophobicContact CG2-CG 4.19Å; T154-A192 HydrophobicContact CG2-CB 4.31Å; T154-A192 WeakPolarHBondContact CG2-O 3.25Å |
| 155 | Y | 98.7 | Very high | 96 | Very high | 1 Ų | 1 | 72.8 Ų | 72.8 | 0% | 0.004 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 116.7 | 177.5 | -59.6 | -76.8 | 0 | 0 | 0 | 108.9 | L73 L104 V112 I114 F143 K144 E145 V153 Y170 L171 F194 | L73-Y155 HydrophobicContact CD1-CE2 4.25Å; L73-Y155 HydrophobicContact CD2-CE2 4.04Å; L104-Y155 HydrophobicContact CD2-CE1 4.42Å; V112-Y155 HydrophobicContact CG2-CD1 3.84Å; V112-Y155 HydrophobicContact CG2-CE1 3.8Å; I114-Y155 HydrophobicContact CD1-CD1 4.1Å; I114-Y155 HydrophobicContact CD1-CD2 4.38Å; I114-Y155 HydrophobicContact CD1-CE1 4.47Å; I114-Y155 HydrophobicContact CD1-CG 4.06Å; F143-Y155 HydrophobicContact CB-CD1 4.46Å; K144-Y155 WeakPolarHBondContact O-CA 3.48Å; E145-Y155 HydrophobicContact CB-CD1 4.02Å; E145-Y155 HydrophobicContact CB-CE1 3.89Å; V153-Y155 HydrophobicContact CG1-CE1 3.88Å; V153-Y155 HydrophobicContact CG1-CE2 4.04Å; Y155-Y170 CarbonylContact O-C 3.53Å; Y155-Y170 WeakPolarHBondContact O-CA 2.96Å; Y155-L171 HydrophobicContact CD2-CD2 4.1Å; Y155-L171 PolarHBondContact O-N 2.92Å; Y155-F194 HydrophobicContact CD2-CD2 4.19Å; Y155-F194 HydrophobicContact CE2-CB 4.18Å; Y155-F194 HydrophobicContact CE2-CG 4.47Å |
| 156 | S | 98.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 73.1 Ų | 73.1 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 149 | 179 | 60.2 | 0 | 0 | 0 | 0 | 112.7 | F143 K144 M158 W169 | F143-S156 CarbonylContact C-O 3.59Å; F143-S156 VanDerWaalsContact CA-O 3.32Å; F143-S156 WeakPolarHBondContact CA-O 3.36Å; K144-S156 PolarHBondContact N-O 3.26Å; K144-S156 PolarHBondContact O-N 2.99Å; S156-M158 PolarHBondContact O-N 3.48Å; S156-W169 CarbonylContact C-O 3.59Å; S156-W169 WeakPolarHBondContact CA-O 3.27Å; S156-W169 WeakPolarHBondContact CB-O 3.29Å |
| 157 | S | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.007 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 134.5 | 171.7 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | I159 Y160 W169 | S157-I159 VanDerWaalsContact C-N 3.31Å; S157-I159 PolarHBondContact OG-N 2.89Å; S157-Y160 PolarHBondContact OG-N 3.22Å; S157-W169 PolarHBondContact N-O 3.02Å |
| 158 | M | 97.2 | Very high | 95.9 | Very high | 60 Ų | 60 | 71 Ų | 71 | 30% | 0.296 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | -31.3 | 174.7 | -85.7 | -68.1 | -65.3 | 0 | 0 | 112.4 | V111 K142 K144 S156 R161 | V111-M158 HydrophobicContact CG1-CG 3.76Å; V111-M158 HydrophobicContact CG1-SD 4.11Å; V111-M158 HydrophobicContact CG2-CE 3.93Å; V111-M158 HydrophobicContact CG2-CG 4.41Å; V111-M158 HydrophobicContact CG2-SD 3.63Å; K142-M158 HydrophobicContact CB-CB 4.01Å; K142-M158 HydrophobicContact CB-CG 3.79Å; K142-M158 WeakPolarHBondContact O-CB 3.32Å; K142-M158 VanDerWaalsContact O-CG 3.28Å; K142-M158 WeakPolarHBondContact O-CG 3.42Å; K142-M158 PolarHBondContact O-N 3.14Å; K142-M158 VanDerWaalsContact O-N 3.12Å; K144-M158 HydrophobicContact CB-CG 4.43Å; K144-M158 HydrophobicContact CB-SD 3.74Å; K144-M158 HydrophobicContact CG-SD 4.47Å; S156-M158 PolarHBondContact O-N 3.48Å; M158-R161 PolarHBondContact O-NH2 2.87Å |
| 159 | I | 96.3 | Very high | 96 | Very high | 70 Ų | 70 | 70.6 Ų | 70.6 | 36% | 0.359 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -35 | -170.2 | 61 | 177.5 | 0 | 0 | 0 | 113.1 | E140 S157 | E140-I159 HydrophobicContact CG-CD1 3.75Å; S157-I159 VanDerWaalsContact C-N 3.31Å; S157-I159 PolarHBondContact OG-N 2.89Å |
| 160 | Y | 97.7 | Very high | 96.3 | Very high | 47 Ų | 47 | 65.6 Ų | 65.6 | 18% | 0.184 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 134 | -174.2 | -56.3 | -52.4 | 0 | 0 | 0 | 113.2 | M125 N126 S127 E140 S157 W169 | M125-Y160 WeakPolarHBondContact O-CD2 3.38Å; M125-Y160 VanDerWaalsContact O-CE2 3.23Å; M125-Y160 WeakPolarHBondContact O-CE2 3.49Å; N126-Y160 VanDerWaalsContact C-CD2 3.46Å; N126-Y160 WeakPolarHBondContact O-CD2 3.35Å; N126-Y160 WeakPolarHBondContact O-CE2 3.49Å; S127-Y160 VanDerWaalsContact CA-CZ 3.4Å; E140-Y160 HydrophobicContact CG-CE2 3.9Å; E140-Y160 WeakPolarHBondContact OE1-CE2 3.39Å; E140-Y160 PolarHBondContact OE1-OH 3.37Å; S157-Y160 PolarHBondContact OG-N 3.22Å; Y160-W169 VanDerWaalsContact CB-CE3 3.49Å; Y160-W169 HydrophobicContact CG-CE3 4.39Å; Y160-W169 HydrophobicContact CG-CZ3 4.25Å |
| 161 | R | 97.1 | Very high | 96.6 | Very high | 110 Ų | 110 | 57.9 Ų | 57.9 | 42% | 0.415 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 160.7 | -176.4 | -31.6 | -179.2 | -167.5 | -66.3 | -7.2 | 108.9 | M158 Q163 R167 | M158-R161 PolarHBondContact O-NH2 2.87Å; R161-Q163 PolarHBondContact O-N 3.05Å; R161-R167 WeakPolarHBondContact CA-O 3.45Å |
| 162 | Q | 96 | Very high | 96.9 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 33% | 0.327 | 26% | 0.256 | S | S | . | . | trans | -64.8 | 121.7 | 167.1 | -166.4 | 71.2 | 52.1 | 0 | 0 | 109.9 | Q164 G166 R167 | Q162-Q164 PolarHBondContact O-N 3.21Å; Q162-G166 VanDerWaalsContact O-CA 3.31Å; Q162-G166 WeakPolarHBondContact O-CA 3.49Å; Q162-G166 PolarHBondContact O-N 3.13Å; Q162-R167 HydrophobicContact CB-CB 4.09Å; Q162-R167 PolarHBondContact N-O 3.04Å | ||
| 163 | Q | 92.2 | Very high | 97 | Very high | 175 Ų | 175 | 49.1 Ų | 49.1 | 82% | 0.818 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -44.6 | -173.7 | -63.5 | -61.2 | -22.4 | 0 | 0 | 113.5 | R161 | R161-Q163 PolarHBondContact O-N 3.05Š|
| 164 | Q | 93.1 | Very high | 97 | Very high | 194 Ų | 194 | 49.3 Ų | 49.3 | 91% | 0.907 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -46.4 | -177.1 | -67.2 | 176.9 | -13.7 | 0 | 0 | 113.1 | Q162 | Q162-Q164 PolarHBondContact O-N 3.21Š|
| 165 | S | 93.9 | Very high | 97 | Very high | 88 Ų | 88 | 56.9 Ų | 56.9 | 62% | 0.615 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -16.8 | -172.8 | 166.5 | 0 | 0 | 0 | 0 | 113.6 | R167 | S165-R167 PolarHBondContact O-N 2.79Š|
| 166 | G | 95 | Very high | 96.9 | Very high | 50 Ų | 50 | 62.4 Ų | 62.4 | 52% | 0.515 | 31% | 0.308 | S | S | . | . | trans | 69.9 | 3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q162 G168 | Q162-G166 VanDerWaalsContact O-CA 3.31Å; Q162-G166 WeakPolarHBondContact O-CA 3.49Å; Q162-G166 PolarHBondContact O-N 3.13Å; G166-G168 PolarHBondContact O-N 3.39Å | ||
| 167 | R | 96.3 | Very high | 96.9 | Very high | 72 Ų | 72 | 62.3 Ų | 62.3 | 27% | 0.272 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 125.7 | -179.8 | -177.3 | 179.8 | 62.9 | 84.8 | -2.7 | 110.9 | R161 Q162 S165 N183 V185 | R161-R167 WeakPolarHBondContact CA-O 3.45Å; Q162-R167 HydrophobicContact CB-CB 4.09Å; Q162-R167 PolarHBondContact N-O 3.04Å; S165-R167 PolarHBondContact O-N 2.79Å; R167-N183 VanDerWaalsContact CZ-O 3.3Å; R167-N183 PolarHBondContact NH1-O 3.48Å; R167-N183 PolarHBondContact NH2-O 3.34Å; R167-V185 PolarHBondContact NH1-O 2.95Å |
| 168 | G | 97.3 | Very high | 96.9 | Very high | 10 Ų | 10 | 67.9 Ų | 67.9 | 10% | 0.103 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 155.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | G166 Y170 | G166-G168 PolarHBondContact O-N 3.39Å; G168-Y170 VanDerWaalsContact O-CD2 3.25Å; G168-Y170 WeakPolarHBondContact O-CD2 3.24Å; G168-Y170 WeakPolarHBondContact O-CE2 3.49Å |
| 169 | W | 98.4 | Very high | 96.9 | Very high | 25 Ų | 25 | 67.8 Ų | 67.8 | 10% | 0.095 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 136.2 | 169.8 | -65.5 | 0.7 | 0 | 0 | 0 | 109.2 | M125 S127 G129 S156 S157 Y160 G182 N183 | M125-W169 HydrophobicContact SD-CB 3.71Å; M125-W169 HydrophobicContact SD-CE3 4.17Å; S127-W169 WeakPolarHBondContact O-CH2 3.36Å; S127-W169 VanDerWaalsContact O-CZ3 3.25Å; S127-W169 WeakPolarHBondContact O-CZ3 3.4Å; G129-W169 VanDerWaalsContact CA-CE3 3.46Å; S156-W169 CarbonylContact C-O 3.59Å; S156-W169 WeakPolarHBondContact CA-O 3.27Å; S156-W169 WeakPolarHBondContact CB-O 3.29Å; S157-W169 PolarHBondContact N-O 3.02Å; Y160-W169 VanDerWaalsContact CB-CE3 3.49Å; Y160-W169 HydrophobicContact CG-CE3 4.39Å; Y160-W169 HydrophobicContact CG-CZ3 4.25Å; W169-G182 CarbonylContact C-O 3.54Å; W169-G182 VanDerWaalsContact CA-O 3.24Å; W169-G182 WeakPolarHBondContact CA-O 3.26Å; W169-G182 WeakPolarHBondContact CB-O 3.5Å; W169-N183 HydrophobicContact CD2-CB 3.9Å; W169-N183 HydrophobicContact CG-CB 4.12Å; W169-N183 HydrophobicContact CZ2-CB 3.91Å |
| 170 | Y | 98.6 | Very high | 97 | Very high | 27 Ų | 27 | 66.9 Ų | 66.9 | 11% | 0.106 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 144.7 | -166.3 | -66.6 | -93.1 | 0 | 0 | 0 | 111.7 | Y155 G168 G182 V185 K187 | Y155-Y170 CarbonylContact O-C 3.53Å; Y155-Y170 WeakPolarHBondContact O-CA 2.96Å; G168-Y170 VanDerWaalsContact O-CD2 3.25Å; G168-Y170 WeakPolarHBondContact O-CD2 3.24Å; G168-Y170 WeakPolarHBondContact O-CE2 3.49Å; Y170-G182 PolarHBondContact N-O 2.8Å; Y170-G182 VanDerWaalsContact O-CA 3.27Å; Y170-G182 WeakPolarHBondContact O-CA 3.32Å; Y170-V185 WeakPolarHBondContact O-CB 3.48Å; Y170-K187 HydrophobicContact CE1-CB 4.06Å; Y170-K187 HydrophobicContact CE1-CG 3.92Å; Y170-K187 HydrophobicContact CE2-CB 3.9Å |
| 171 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -59.9 | 136.4 | 158.7 | 168 | 64.6 | 0 | 0 | 0 | 108.2 | L81 I114 L131 Y155 I179 F194 | L81-L171 HydrophobicContact CD1-CD1 4.47Å; L81-L171 HydrophobicContact CD2-CD2 4.1Å; I114-L171 HydrophobicContact CD1-CD2 4.22Å; L131-L171 HydrophobicContact CD2-CB 4.18Å; L131-L171 HydrophobicContact CD2-CD1 3.27Å; L131-L171 HydrophobicContact CD2-CG 4.29Å; Y155-L171 HydrophobicContact CD2-CD2 4.1Å; Y155-L171 PolarHBondContact O-N 2.92Å; L171-I179 HydrophobicContact CD1-CD1 3.71Å; L171-F194 HydrophobicContact CB-CE2 4.47Å; L171-F194 HydrophobicContact CD1-CZ 4.44Å; L171-F194 HydrophobicContact CD2-CE2 4.17Å; L171-F194 HydrophobicContact CD2-CZ 4.14Å; L171-F194 HydrophobicContact CG-CE2 3.82Å; L171-F194 HydrophobicContact CG-CZ 3.77Å; L171-F194 WeakPolarHBondContact O-CE2 3.18Å | ||
| 172 | G | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -171.5 | 155.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I179 M180 A191 | G172-I179 WeakPolarHBondContact O-CD1 3.29Å; G172-M180 PolarHBondContact O-N 3.3Å; G172-A191 CarbonylContact C-O 3.56Å; G172-A191 WeakPolarHBondContact CA-O 3.31Å | ||
| 173 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -111.3 | 149.7 | 176.1 | -60.7 | 179.3 | 0 | 0 | 0 | 110.3 | L81 E178 I179 A191 | L81-L173 HydrophobicContact CD1-CD1 4.37Å; L81-L173 HydrophobicContact CD1-CD2 4.13Å; L81-L173 HydrophobicContact CD1-CG 4.44Å; L173-E178 CarbonylContact C-O 3.59Å; L173-E178 VanDerWaalsContact CA-O 3.28Å; L173-E178 WeakPolarHBondContact CA-O 3.46Å; L173-I179 HydrophobicContact CD2-CB 4.43Å; L173-I179 HydrophobicContact CD2-CD1 4.07Å; L173-A191 PolarHBondContact N-O 3.33Å; L173-A191 VanDerWaalsContact O-CA 3.29Å; L173-A191 WeakPolarHBondContact O-CA 3.49Å; L173-A191 WeakPolarHBondContact O-CB 3.43Å |
| 174 | N | 98.1 | Very high | 97.4 | Very high | 30 Ų | 30 | 57.5 Ų | 57.5 | 16% | 0.16 | 29% | 0.29 | C | S | . | . | trans | -78 | -166.9 | 170.9 | 68.3 | 7.3 | 0 | 0 | 0 | 111.1 | Q77 E176 G177 E178 M180 | Q77-N174 WeakPolarHBondContact CB-O 3.5Å; Q77-N174 VanDerWaalsContact CG-O 3.29Å; Q77-N174 WeakPolarHBondContact CG-O 3.48Å; Q77-N174 PolarHBondContact NE2-O 3.19Å; N174-E176 VanDerWaalsContact C-N 3.28Å; N174-E176 PolarHBondContact ND2-OE2 3.13Å; N174-E176 WeakPolarHBondContact OD1-CA 3.06Å; N174-E176 WeakPolarHBondContact OD1-CB 3.16Å; N174-E176 PolarHBondContact OD1-N 2.97Å; N174-E176 PolarHBondContact OD1-OE2 3.01Å; N174-G177 PolarHBondContact OD1-N 2.88Å; N174-E178 PolarHBondContact N-O 3.41Å; N174-E178 PolarHBondContact ND2-OE2 2.94Å; N174-E178 PolarHBondContact OD1-N 3.07Å; N174-E178 PolarHBondContact OD1-O 3.44Å; N174-M180 HydrophobicContact CB-CG 3.89Å; N174-M180 HydrophobicContact CB-SD 3.91Å | ||
| 175 | K | 97.9 | Very high | 97.7 | Very high | 158 Ų | 158 | 48.3 Ų | 48.3 | 69% | 0.687 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -78.8 | -20.1 | -179.9 | -68 | 178.3 | 179.7 | 179 | 0 | 111.8 | Y79 G177 | Y79-K175 VanDerWaalsContact CE2-O 3.27Å; Y79-K175 WeakPolarHBondContact CE2-O 3.32Å; Y79-K175 PolarHBondContact OH-O 3.36Å; K175-G177 VanDerWaalsContact C-N 3.33Å |
| 176 | E | 98 | Very high | 97.9 | Very high | 118 Ų | 118 | 49 Ų | 49 | 55% | 0.551 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -86.9 | -8.3 | -178.3 | -60.6 | 65.2 | -142.6 | 0 | 0 | 111.5 | N174 E178 | N174-E176 VanDerWaalsContact C-N 3.28Å; N174-E176 PolarHBondContact ND2-OE2 3.13Å; N174-E176 WeakPolarHBondContact OD1-CA 3.06Å; N174-E176 WeakPolarHBondContact OD1-CB 3.16Å; N174-E176 PolarHBondContact OD1-N 2.97Å; N174-E176 PolarHBondContact OD1-OE2 3.01Å; E176-E178 HydrophobicContact CB-CG 4.21Å |
| 177 | G | 97.5 | Very high | 98 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 90.2 | 6.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D90 G91 N174 K175 | D90-G177 CarbonylContact C-O 3.57Å; G91-G177 VanDerWaalsContact CA-O 3.29Å; G91-G177 WeakPolarHBondContact CA-O 3.32Å; G91-G177 PolarHBondContact N-O 3.39Å; N174-G177 PolarHBondContact OD1-N 2.88Å; K175-G177 VanDerWaalsContact C-N 3.33Å |
| 178 | E | 98.2 | Very high | 98 | Very high | 119 Ų | 119 | 51.9 Ų | 51.9 | 56% | 0.556 | 25% | 0.245 | S | C | * | . | B | Isolated β-bridge | trans | -88 | 150.3 | -177.9 | -48.1 | 169.6 | 139 | 0 | 0 | 111.4 | L173 N174 E176 | L173-E178 CarbonylContact C-O 3.59Å; L173-E178 VanDerWaalsContact CA-O 3.28Å; L173-E178 WeakPolarHBondContact CA-O 3.46Å; N174-E178 PolarHBondContact N-O 3.41Å; N174-E178 PolarHBondContact ND2-OE2 2.94Å; N174-E178 PolarHBondContact OD1-N 3.07Å; N174-E178 PolarHBondContact OD1-O 3.44Å; E176-E178 HydrophobicContact CB-CG 4.21Å |
| 179 | I | 98.3 | Very high | 98 | Very high | 58 Ų | 58 | 56.7 Ų | 56.7 | 30% | 0.297 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -68.7 | 132.3 | 179.1 | -167.9 | 67.9 | 0 | 0 | 0 | 111.9 | I89 L131 L171 G172 L173 | I89-I179 HydrophobicContact CG2-CD1 4.06Å; I89-I179 HydrophobicContact CG2-CG1 4.38Å; I89-I179 WeakPolarHBondContact O-CB 3.44Å; I89-I179 WeakPolarHBondContact O-CG2 3.3Å; L131-I179 HydrophobicContact CB-CD1 4.43Å; L131-I179 HydrophobicContact CB-CG1 4.07Å; L131-I179 HydrophobicContact CD1-CD1 4.15Å; L131-I179 HydrophobicContact CD1-CG1 4.08Å; L131-I179 HydrophobicContact CD2-CD1 3.93Å; L131-I179 HydrophobicContact CD2-CG1 4.45Å; L131-I179 HydrophobicContact CG-CD1 4.4Å; L131-I179 HydrophobicContact CG-CG1 4.43Å; L171-I179 HydrophobicContact CD1-CD1 3.71Å; G172-I179 WeakPolarHBondContact O-CD1 3.29Å; L173-I179 HydrophobicContact CD2-CB 4.43Å; L173-I179 HydrophobicContact CD2-CD1 4.07Å |
| 180 | M | 98.4 | Very high | 98 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -99.2 | 147.3 | 178.5 | -65.6 | -177.7 | 71.4 | 0 | 0 | 112 | L131 G172 N174 G182 H184 V185 A191 | L131-M180 VanDerWaalsContact CD1-O 3.28Å; L131-M180 WeakPolarHBondContact CD1-O 3.45Å; G172-M180 PolarHBondContact O-N 3.3Å; N174-M180 HydrophobicContact CB-CG 3.89Å; N174-M180 HydrophobicContact CB-SD 3.91Å; M180-G182 PolarHBondContact O-N 2.92Å; M180-H184 HydrophobicContact CE-CB 4.35Å; M180-V185 HydrophobicContact CB-CG2 3.51Å; M180-V185 HydrophobicContact CE-CG2 4.47Å; M180-V185 HydrophobicContact CG-CG2 4.44Å; M180-V185 HydrophobicContact SD-CG2 4.22Å; M180-A191 HydrophobicContact SD-CB 3.77Å |
| 181 | K | 98.1 | Very high | 97.9 | Very high | 52 Ų | 52 | 57 Ų | 57 | 23% | 0.226 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 130.1 | 168.7 | -157.8 | 179.7 | 175.1 | 160.4 | 0 | 110.4 | E128 G129 Y130 N183 H184 V185 | E128-K181 WeakPolarHBondContact O-CE 3.28Å; E128-K181 PolarHBondContact O-NZ 2.9Å; G129-K181 CarbonylContact O-C 3.51Å; G129-K181 WeakPolarHBondContact O-CG 3.32Å; Y130-K181 HydrophobicContact CD1-CD 4.37Å; Y130-K181 HydrophobicContact CD1-CG 4.07Å; Y130-K181 HydrophobicContact CE1-CD 3.85Å; Y130-K181 HydrophobicContact CE1-CG 4.03Å; Y130-K181 PolarHBondContact OH-NZ 2.85Å; K181-N183 VanDerWaalsContact C-N 3.26Å; K181-N183 WeakPolarHBondContact CD-OD1 3.34Å; K181-N183 WeakPolarHBondContact CG-OD1 3.27Å; K181-N183 PolarHBondContact O-N 2.86Å; K181-N183 VanDerWaalsContact O-N 3.15Å; K181-H184 WeakPolarHBondContact O-CA 3.45Å; K181-H184 WeakPolarHBondContact O-CB 3.32Å; K181-H184 PolarHBondContact O-N 3.02Å; K181-V185 PolarHBondContact O-N 2.79Å |
| 182 | G | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -29.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G129 W169 Y170 M180 H184 V185 | G129-G182 PolarHBondContact O-N 2.89Å; W169-G182 CarbonylContact C-O 3.54Å; W169-G182 VanDerWaalsContact CA-O 3.24Å; W169-G182 WeakPolarHBondContact CA-O 3.26Å; W169-G182 WeakPolarHBondContact CB-O 3.5Å; Y170-G182 PolarHBondContact N-O 2.8Å; Y170-G182 VanDerWaalsContact O-CA 3.27Å; Y170-G182 WeakPolarHBondContact O-CA 3.32Å; M180-G182 PolarHBondContact O-N 2.92Å; G182-H184 VanDerWaalsContact C-N 3.3Å; G182-H184 PolarHBondContact O-N 3.17Å; G182-V185 PolarHBondContact O-N 3.02Å |
| 183 | N | 97.5 | Very high | 97.9 | Very high | 32 Ų | 32 | 57 Ų | 57 | 17% | 0.171 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -22.4 | 173.9 | 69.5 | -35.4 | 0 | 0 | 0 | 113.1 | R167 W169 K181 | R167-N183 VanDerWaalsContact CZ-O 3.3Å; R167-N183 PolarHBondContact NH1-O 3.48Å; R167-N183 PolarHBondContact NH2-O 3.34Å; W169-N183 HydrophobicContact CD2-CB 3.9Å; W169-N183 HydrophobicContact CG-CB 4.12Å; W169-N183 HydrophobicContact CZ2-CB 3.91Å; K181-N183 VanDerWaalsContact C-N 3.26Å; K181-N183 WeakPolarHBondContact CD-OD1 3.34Å; K181-N183 WeakPolarHBondContact CG-OD1 3.27Å; K181-N183 PolarHBondContact O-N 2.86Å; K181-N183 VanDerWaalsContact O-N 3.15Å |
| 184 | H | 97.7 | Very high | 97.9 | Very high | 120 Ų | 120 | 57 Ų | 57 | 56% | 0.556 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -20.1 | 177.3 | -62.4 | 176.5 | 0 | 0 | 0 | 112.6 | M180 K181 G182 | M180-H184 HydrophobicContact CE-CB 4.35Å; K181-H184 WeakPolarHBondContact O-CA 3.45Å; K181-H184 WeakPolarHBondContact O-CB 3.32Å; K181-H184 PolarHBondContact O-N 3.02Å; G182-H184 VanDerWaalsContact C-N 3.3Å; G182-H184 PolarHBondContact O-N 3.17Å |
| 185 | V | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | trans | -80.9 | 130.2 | 176.3 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | R167 Y170 M180 K181 G182 A191 A192 | R167-V185 PolarHBondContact NH1-O 2.95Å; Y170-V185 WeakPolarHBondContact O-CB 3.48Å; M180-V185 HydrophobicContact CB-CG2 3.51Å; M180-V185 HydrophobicContact CE-CG2 4.47Å; M180-V185 HydrophobicContact CG-CG2 4.44Å; M180-V185 HydrophobicContact SD-CG2 4.22Å; K181-V185 PolarHBondContact O-N 2.79Å; G182-V185 PolarHBondContact O-N 3.02Å; V185-A191 HydrophobicContact CG1-CB 4.36Å; V185-A192 HydrophobicContact CG1-CB 3.55Å | ||
| 186 | K | 97.7 | Very high | 97.9 | Very high | 104 Ų | 104 | 52 Ų | 52 | 45% | 0.452 | 25% | 0.254 | S | S | . | . | trans | -112.9 | 137.6 | 179.6 | -63.9 | 180 | -178.5 | 179 | 0 | 110.2 | N188 K189 A192 | K186-N188 PolarHBondContact O-N 3.25Å; K186-N188 VanDerWaalsContact O-N 3.07Å; K186-K189 HydrophobicContact CB-CB 4.24Å; K186-K189 HydrophobicContact CB-CG 3.78Å; K186-K189 HydrophobicContact CD-CG 4.33Å; K186-K189 PolarHBondContact O-N 3.14Å; K186-A192 WeakPolarHBondContact O-CB 3.14Å | ||
| 187 | K | 97.1 | Very high | 97.8 | Very high | 80 Ų | 80 | 50.1 Ų | 50.1 | 35% | 0.348 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -35.2 | -178.5 | -164.8 | -170 | 177.3 | -170.6 | 0 | 114.2 | F148 T154 Y170 H193 | F148-K187 HydrophobicContact CD2-CD 4.41Å; F148-K187 HydrophobicContact CD2-CG 4.19Å; T154-K187 HydrophobicContact CG2-CG 4.19Å; Y170-K187 HydrophobicContact CE1-CB 4.06Å; Y170-K187 HydrophobicContact CE1-CG 3.92Å; Y170-K187 HydrophobicContact CE2-CB 3.9Å; K187-H193 PolarHBondContact O-NE2 3.03Å |
| 188 | N | 96.3 | Very high | 97.8 | Very high | 101 Ų | 101 | 54.2 Ų | 54.2 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 6.6 | -176.9 | 66.9 | -20.1 | 0 | 0 | 0 | 113.7 | F148 K186 | F148-N188 HydrophobicContact CE2-CB 4.03Å; F148-N188 HydrophobicContact CZ-CB 4Å; K186-N188 PolarHBondContact O-N 3.25Å; K186-N188 VanDerWaalsContact O-N 3.07Å |
| 189 | K | 97.9 | Very high | 97.7 | Very high | 112 Ų | 112 | 54.2 Ų | 54.2 | 49% | 0.487 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -104.5 | 142.5 | 178.8 | -67.5 | -64.2 | -174.6 | -179.1 | 0 | 109.8 | K186 A191 A192 H193 | K186-K189 HydrophobicContact CB-CB 4.24Å; K186-K189 HydrophobicContact CB-CG 3.78Å; K186-K189 HydrophobicContact CD-CG 4.33Å; K186-K189 PolarHBondContact O-N 3.14Å; K189-A191 PolarHBondContact O-N 2.78Å; K189-A192 PolarHBondContact O-N 3.19Å; K189-H193 PolarHBondContact O-NE2 3.03Å |
| 190 | P | 97.9 | Very high | 97.5 | Very high | 46 Ų | 46 | 57.8 Ų | 57.8 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -49.1 | -32.4 | 178.7 | -33.4 | 39.3 | 0 | 0 | 0 | 115.5 | R76 A192 H193 | R76-P190 HydrophobicContact CG-CB 4.28Å; P190-A192 PolarHBondContact O-N 2.93Å; P190-A192 VanDerWaalsContact O-N 3.13Å; P190-H193 WeakPolarHBondContact O-CB 3.35Å; P190-H193 PolarHBondContact O-N 3.48Å |
| 191 | A | 98.3 | Very high | 97.5 | Very high | 12 Ų | 12 | 59.6 Ų | 59.6 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -52.4 | -32.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G172 L173 M180 V185 K189 | G172-A191 CarbonylContact C-O 3.56Å; G172-A191 WeakPolarHBondContact CA-O 3.31Å; L173-A191 PolarHBondContact N-O 3.33Å; L173-A191 VanDerWaalsContact O-CA 3.29Å; L173-A191 WeakPolarHBondContact O-CA 3.49Å; L173-A191 WeakPolarHBondContact O-CB 3.43Å; M180-A191 HydrophobicContact SD-CB 3.77Å; V185-A191 HydrophobicContact CG1-CB 4.36Å; K189-A191 PolarHBondContact O-N 2.78Å |
| 192 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -86.9 | -7.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | T154 V185 K186 K189 P190 F194 | T154-A192 HydrophobicContact CG2-CB 4.31Å; T154-A192 WeakPolarHBondContact CG2-O 3.25Å; V185-A192 HydrophobicContact CG1-CB 3.55Å; K186-A192 WeakPolarHBondContact O-CB 3.14Å; K189-A192 PolarHBondContact O-N 3.19Å; P190-A192 PolarHBondContact O-N 2.93Å; P190-A192 VanDerWaalsContact O-N 3.13Å; A192-F194 WeakPolarHBondContact O-CD2 3.39Å |
| 193 | H | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | trans | -96.8 | 117.1 | -164.9 | -63.5 | 168 | 0 | 0 | 0 | 110.9 | R76 F148 Y152 K187 K189 P190 | R76-H193 HydrophobicContact CB-CB 3.76Å; R76-H193 WeakPolarHBondContact CB-O 3.23Å; R76-H193 WeakPolarHBondContact CD-ND1 3.4Å; R76-H193 PolarHBondContact N-O 3.3Å; R76-H193 PolarHBondContact NH1-ND1 3.32Å; F148-H193 AromaticContact CD1-CD2 3.91Å; F148-H193 AromaticContact CD1-CE1 3.45Å; F148-H193 VanDerWaalsContact CD1-CE1 3.45Å; F148-H193 WeakPolarHBondContact CD1-CE1 3.49Å; F148-H193 AromaticContact CD1-NE2 3.2Å; F148-H193 WeakPolarHBondContact CD1-NE2 3.47Å; F148-H193 AromaticContact CE1-CE1 3.35Å; F148-H193 WeakPolarHBondContact CE1-CE1 3.41Å; F148-H193 AromaticContact CE1-NE2 3.38Å; F148-H193 WeakPolarHBondContact CE1-NE2 3.38Å; F148-H193 AromaticContact CG-NE2 3.73Å; Y152-H193 HydrophobicContact CD1-CB 3.69Å; Y152-H193 HydrophobicContact CD2-CB 4.3Å; Y152-H193 AromaticContact CD2-ND1 3.94Å; Y152-H193 HydrophobicContact CE1-CB 4.32Å; Y152-H193 HydrophobicContact CG-CB 3.67Å; Y152-H193 AromaticContact CG-CG 3.93Å; K187-H193 PolarHBondContact O-NE2 3.03Å; K189-H193 PolarHBondContact O-NE2 3.03Å; P190-H193 WeakPolarHBondContact O-CB 3.35Å; P190-H193 PolarHBondContact O-N 3.48Å | ||
| 194 | F | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 147.2 | 175.5 | -63.4 | -91.9 | 0 | 0 | 0 | 110.9 | L73 Y74 V153 Y155 L171 A192 | L73-F194 HydrophobicContact CB-CD1 4.21Å; Y74-F194 CarbonylContact O-C 3.6Å; Y74-F194 WeakPolarHBondContact O-CA 3.48Å; V153-F194 PolarHBondContact N-O 3.41Å; V153-F194 PolarHBondContact O-N 2.92Å; Y155-F194 HydrophobicContact CD2-CD2 4.19Å; Y155-F194 HydrophobicContact CE2-CB 4.18Å; Y155-F194 HydrophobicContact CE2-CG 4.47Å; L171-F194 HydrophobicContact CB-CE2 4.47Å; L171-F194 HydrophobicContact CD1-CZ 4.44Å; L171-F194 HydrophobicContact CD2-CE2 4.17Å; L171-F194 HydrophobicContact CD2-CZ 4.14Å; L171-F194 HydrophobicContact CG-CE2 3.82Å; L171-F194 HydrophobicContact CG-CZ 3.77Å; L171-F194 WeakPolarHBondContact O-CE2 3.18Å; A192-F194 WeakPolarHBondContact O-CD2 3.39Å |
| 195 | L | 97.5 | Very high | 96.6 | Very high | 51 Ų | 51 | 63.1 Ų | 63.1 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 106.3 | 169.5 | -175.8 | 64.6 | 0 | 0 | 0 | 107.9 | Y74 K197 | Y74-L195 HydrophobicContact CD1-CB 4.47Å; Y74-L195 PolarHBondContact N-O 2.81Å; Y74-L195 PolarHBondContact O-N 3.21Å; L195-K197 PolarHBondContact O-N 3.26Å |
| 196 | P | 97 | Very high | 96.1 | Very high | 31 Ų | 31 | 67.9 Ų | 67.9 | 20% | 0.201 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 129.9 | 171.2 | -21.3 | 33.5 | 0 | 0 | 0 | 109.7 | K72 L73 V153 P198 | K72-P196 WeakPolarHBondContact O-CA 3.31Å; L73-P196 HydrophobicContact CD2-CB 4.2Å; L73-P196 HydrophobicContact CD2-CG 4.17Å; V153-P196 HydrophobicContact CB-CG 4.25Å; V153-P196 HydrophobicContact CG2-CG 3.91Å; P196-P198 WeakPolarHBondContact O-CD 3.34Å |
| 197 | K | 96.8 | Very high | 95.8 | Very high | 78 Ų | 78 | 63.7 Ų | 63.7 | 34% | 0.339 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 86.3 | 169.6 | -65.8 | -179.5 | 178.6 | 176.8 | 0 | 108 | T71 K72 H80 E95 L195 | T71-K197 WeakPolarHBondContact CA-O 3.32Å; T71-K197 PolarHBondContact OG1-N 3.3Å; T71-K197 PolarHBondContact OG1-O 3.35Å; T71-K197 VanDerWaalsContact OG1-O 3.05Å; K72-K197 HydrophobicContact CB-CB 4.34Å; K72-K197 PolarHBondContact N-O 3.19Å; K72-K197 PolarHBondContact O-N 3.44Å; H80-K197 PolarHBondContact CE1-NZ 3.36Å; H80-K197 PolarHBondContact NE2-NZ 3.34Å; H80-K197 VanDerWaalsContact NE2-NZ 3.14Å; E95-K197 IonicContact OE1-NZ 2.87Å; L195-K197 PolarHBondContact O-N 3.26Å |
| 198 | P | 96.2 | Very high | 95.4 | Very high | 89 Ų | 89 | 63.8 Ų | 63.8 | 58% | 0.578 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 136.4 | -176.2 | -20.4 | 33.8 | 0 | 0 | 0 | 111.3 | I69 P196 | I69-P198 HydrophobicContact CD1-CB 4.22Å; I69-P198 HydrophobicContact CD1-CG 4.17Å; P196-P198 WeakPolarHBondContact O-CD 3.34Å |
| 199 | L | 96 | Very high | 95.2 | Very high | 119 Ų | 119 | 63.2 Ų | 63.2 | 62% | 0.623 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -52.5 | 176.1 | -176.3 | 64.7 | 0 | 0 | 0 | 111.2 | V70 L101 | V70-L199 HydrophobicContact CG1-CD2 4.41Å; V70-L199 WeakPolarHBondContact O-CB 3.15Å; V70-L199 PolarHBondContact O-N 3.48Å; L101-L199 HydrophobicContact CD2-CD2 4.17Å |
| 200 | K | 96.1 | Very high | 94.7 | Very high | 134 Ų | 134 | 60.4 Ų | 60.4 | 58% | 0.583 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 155.7 | 178.2 | 62.1 | -178 | 177.8 | -174.8 | 0 | 111.8 | I69 V70 | I69-K200 CarbonylContact C-O 3.49Å; I69-K200 WeakPolarHBondContact CA-O 3.49Å; V70-K200 HydrophobicContact CB-CG 4.01Å; V70-K200 HydrophobicContact CG2-CG 4.07Å; V70-K200 PolarHBondContact N-O 2.47Å; V70-K200 PolarHBondContact O-N 3.21Å |
| 201 | V | 96.4 | Very high | 93.9 | Very high | 88 Ų | 88 | 63.1 Ų | 63.1 | 53% | 0.533 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 140.3 | 169 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | K67 I69 | K67-V201 HydrophobicContact CD-CG1 4.25Å; K67-V201 VanDerWaalsContact CE-CG1 3.47Å; K67-V201 HydrophobicContact CG-CG1 3.73Å; I69-V201 HydrophobicContact CG2-CG2 4.26Å |
| 202 | A | 94.7 | Very high | 92.8 | Very high | 23 Ų | 23 | 65.6 Ų | 65.6 | 19% | 0.19 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 147.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G68 V70 Y204 | G68-A202 CarbonylContact C-O 3.55Å; G68-A202 PolarHBondContact N-O 2.96Å; G68-A202 PolarHBondContact O-N 2.99Å; G68-A202 VanDerWaalsContact O-O 3.13Å; V70-A202 HydrophobicContact CG2-CB 4.32Å; A202-Y204 HydrophobicContact CB-CE1 4.3Å; A202-Y204 HydrophobicContact CB-CE2 3.83Å; A202-Y204 WeakPolarHBondContact O-CD2 3.47Å; A202-Y204 WeakPolarHBondContact O-CE2 3.38Å |
| 203 | M | 93.6 | Very high | 91.3 | Very high | 102 Ų | 102 | 70.4 Ų | 70.4 | 50% | 0.502 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 127.7 | 172.9 | -60.2 | -56.4 | -63.3 | 0 | 0 | 108.8 | Q65 L66 K67 | Q65-M203 HydrophobicContact CB-CB 4.47Å; Q65-M203 HydrophobicContact CB-CE 3.43Å; Q65-M203 VanDerWaalsContact CB-CE 3.43Å; L66-M203 CarbonylContact O-C 3.57Å; L66-M203 WeakPolarHBondContact O-CA 3.24Å; K67-M203 HydrophobicContact CB-CE 4.25Å; K67-M203 HydrophobicContact CB-SD 3.87Å; K67-M203 HydrophobicContact CG-SD 3.98Å |
| 204 | Y | 92.7 | Very high | 89.3 | Confident | 28 Ų | 28 | 75.7 Ų | 75.7 | 11% | 0.11 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 143.5 | 179.2 | -59.7 | -79.6 | 0 | 0 | 0 | 109.8 | Q65 L66 I69 V70 N103 I105 A202 | Q65-Y204 CarbonylContact C-O 3.58Å; Q65-Y204 WeakPolarHBondContact CA-O 3.35Å; L66-Y204 PolarHBondContact N-O 3.48Å; L66-Y204 PolarHBondContact O-N 3.46Å; I69-Y204 PolarHBondContact O-OH 3.16Å; V70-Y204 WeakPolarHBondContact CG2-OH 3.2Å; N103-Y204 HydrophobicContact CB-CE1 3.76Å; N103-Y204 WeakPolarHBondContact CB-OH 3.41Å; N103-Y204 PolarHBondContact OD1-OH 3.38Å; I105-Y204 HydrophobicContact CD1-CD1 4.07Å; I105-Y204 HydrophobicContact CD1-CG 4.11Å; I105-Y204 HydrophobicContact CG1-CD1 4.18Å; I105-Y204 HydrophobicContact CG1-CD2 3.94Å; I105-Y204 HydrophobicContact CG1-CE1 4.46Å; I105-Y204 HydrophobicContact CG1-CE2 4.21Å; I105-Y204 HydrophobicContact CG1-CG 3.91Å; I105-Y204 HydrophobicContact CG2-CD2 4.41Å; I105-Y204 HydrophobicContact CG2-CG 4.39Å; A202-Y204 HydrophobicContact CB-CE1 4.3Å; A202-Y204 HydrophobicContact CB-CE2 3.83Å; A202-Y204 WeakPolarHBondContact O-CD2 3.47Å; A202-Y204 WeakPolarHBondContact O-CE2 3.38Å |
| 205 | K | 91.7 | Very high | 87.2 | Confident | 126 Ų | 126 | 79.9 Ų | 79.9 | 55% | 0.548 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 140.8 | 162.2 | 179.7 | 171.2 | 178.9 | 152 | 0 | 108.7 | E63 P207 | E63-K205 IonicContact OE1-NZ 2.83Å; E63-K205 PolarHBondContact OE1-NZ 3.45Å; E63-K205 WeakPolarHBondContact OE2-CD 3.35Å; E63-K205 VanDerWaalsContact OE2-CE 3.27Å; E63-K205 WeakPolarHBondContact OE2-CE 3.45Å; E63-K205 IonicContact OE2-NZ 3.89Å; E63-K205 PolarHBondContact OE2-NZ 3.28Å; K205-P207 WeakPolarHBondContact O-CD 3.3Å |
| 206 | E | 89.4 | Confident | 84.8 | Confident | 100 Ų | 100 | 82.7 Ų | 82.7 | 47% | 0.467 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 121.1 | 172.7 | -176.4 | 165.4 | -166.5 | 0 | 0 | 110.5 | L66 | L66-E206 HydrophobicContact CD1-CB 3.93Å; L66-E206 HydrophobicContact CD1-CG 4.07Å; L66-E206 HydrophobicContact CG-CB 4.27Å |
| 207 | P | 90.4 | Very high | 82.4 | Confident | 17 Ų | 17 | 91.6 Ų | 91.6 | 11% | 0.11 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 137 | 179.5 | -23.3 | 34.3 | 0 | 0 | 0 | 111.7 | I105 F137 K205 L209 | I105-P207 HydrophobicContact CD1-CG 4.42Å; I105-P207 HydrophobicContact CG2-CG 4.45Å; F137-P207 HydrophobicContact CB-CB 3.71Å; F137-P207 HydrophobicContact CD1-CB 3.6Å; F137-P207 HydrophobicContact CD2-CB 4.28Å; F137-P207 HydrophobicContact CE1-CB 4.25Å; F137-P207 HydrophobicContact CG-CB 3.6Å; F137-P207 HydrophobicContact CG-CG 4.48Å; K205-P207 WeakPolarHBondContact O-CD 3.3Å; P207-L209 PolarHBondContact O-N 3.17Å |
| 208 | S | 89.4 | Confident | 79.8 | Confident | 81 Ų | 81 | 93.3 Ų | 93.3 | 57% | 0.566 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 117.9 | 176.5 | -59.1 | 0 | 0 | 0 | 0 | 110.1 | H210 | S208-H210 PolarHBondContact O-CE1 3.49Å; S208-H210 PolarHBondContact O-N 3Å; S208-H210 PolarHBondContact O-ND1 3.1Å |
| 209 | L | 91.6 | Very high | 77.2 | Confident | 90 Ų | 90 | 92 Ų | 92 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | B | Isolated β-bridge | trans | -74.4 | 118.9 | 178.8 | -173.7 | 66.4 | 0 | 0 | 0 | 110.1 | F137 P139 P207 | F137-L209 HydrophobicContact CD1-CB 4.38Å; F137-L209 HydrophobicContact CD1-CD1 3.95Å; F137-L209 HydrophobicContact CE1-CD1 3.87Å; F137-L209 WeakPolarHBondContact O-CA 3.46Å; P139-L209 HydrophobicContact CG-CD1 4.19Å; P207-L209 PolarHBondContact O-N 3.17Å |
| 210 | H | 87.4 | Confident | 74.5 | Confident | 53 Ų | 53 | 92.4 Ų | 92.4 | 25% | 0.245 | 51% | 0.507 | C | S | . | . | P | Polyproline II helix | trans | -103.1 | 142.7 | 175.1 | -64.1 | 73.1 | 0 | 0 | 0 | 110.1 | L136 F137 P139 S208 E214 | L136-H210 HydrophobicContact CB-CB 4.47Å; L136-H210 HydrophobicContact CD1-CB 4.48Å; F137-H210 PolarHBondContact O-N 3.3Å; P139-H210 WeakPolarHBondContact CD-O 3.28Å; S208-H210 PolarHBondContact O-CE1 3.49Å; S208-H210 PolarHBondContact O-N 3Å; S208-H210 PolarHBondContact O-ND1 3.1Å; H210-E214 IonicContact CD2-OE2 3.79Å |
| 211 | D | 81.2 | Confident | 71.7 | Confident | 103 Ų | 103 | 89.1 Ų | 89.1 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 145.2 | 176.4 | -75 | -34.1 | 0 | 0 | 0 | 110.9 | T213 E214 | D211-T213 PolarHBondContact O-N 3.28Å; D211-T213 VanDerWaalsContact O-N 3.1Å; D211-E214 PolarHBondContact O-N 3.4Å |
| 212 | L | 74.2 | Confident | 69.2 | Low | 63 Ų | 63 | 91.6 Ų | 91.6 | 33% | 0.33 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -62.8 | -19.2 | -179.1 | -63.3 | 173.4 | 0 | 0 | 0 | 112.9 | T138 E140 E214 F215 | T138-L212 HydrophobicContact CG2-CD2 4.11Å; E140-L212 HydrophobicContact CB-CD2 4.41Å; E140-L212 HydrophobicContact CG-CD1 4.12Å; E140-L212 HydrophobicContact CG-CD2 3.88Å; L212-E214 VanDerWaalsContact C-N 3.32Å; L212-E214 PolarHBondContact O-N 3.33Å; L212-F215 WeakPolarHBondContact O-CD2 3.48Å |
| 213 | T | 67.1 | Low | 66.7 | Low | 102 Ų | 102 | 96.3 Ų | 96.3 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -76.6 | -14.9 | -177.2 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | D211 | D211-T213 PolarHBondContact O-N 3.28Å; D211-T213 VanDerWaalsContact O-N 3.1Å |
| 214 | E | 57.2 | Low | 64.3 | Low | 111 Ų | 111 | 97.7 Ų | 97.7 | 52% | 0.519 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -76.9 | -22.3 | 178.6 | -66.5 | -168 | 160.4 | 0 | 0 | 112.7 | H210 D211 L212 S216 R217 | H210-E214 IonicContact CD2-OE2 3.79Å; D211-E214 PolarHBondContact O-N 3.4Å; L212-E214 VanDerWaalsContact C-N 3.32Å; L212-E214 PolarHBondContact O-N 3.33Å; E214-S216 VanDerWaalsContact C-N 3.31Å; E214-S216 PolarHBondContact O-N 3.48Å; E214-R217 PolarHBondContact O-N 3.37Å |
| 215 | F | 55.2 | Low | 61.9 | Low | 89 Ų | 89 | 106.5 Ų | 106.5 | 39% | 0.39 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.5 | -20.9 | -179.6 | -60.9 | -86.5 | 0 | 0 | 0 | 113.7 | L136 T138 L212 R217 | L136-F215 HydrophobicContact CB-CE1 4.11Å; L136-F215 HydrophobicContact CB-CZ 3.73Å; L136-F215 HydrophobicContact CD1-CE1 3.75Å; L136-F215 HydrophobicContact CD1-CZ 3.72Å; L136-F215 HydrophobicContact CG-CE1 4.22Å; L136-F215 HydrophobicContact CG-CZ 4.22Å; T138-F215 HydrophobicContact CG2-CE2 3.33Å; T138-F215 HydrophobicContact CG2-CZ 3.35Å; L212-F215 WeakPolarHBondContact O-CD2 3.48Å; F215-R217 VanDerWaalsContact C-N 3.26Å; F215-R217 PolarHBondContact O-N 3.2Å |
| 216 | S | 45.8 | Very low | 59.6 | Low | 109 Ų | 109 | 105.9 Ų | 105.9 | 76% | 0.762 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -7.9 | 176.9 | -48.7 | 0 | 0 | 0 | 0 | 113.6 | E214 | E214-S216 VanDerWaalsContact C-N 3.31Å; E214-S216 PolarHBondContact O-N 3.48Å |
| 217 | R | 47.4 | Very low | 57.5 | Low | 218 Ų | 218 | 112.6 Ų | 112.6 | 82% | 0.823 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -112.3 | -0.9 | -171.7 | -56.7 | -174.1 | 97.7 | 174.4 | 7.2 | 114.7 | E214 F215 G219 | E214-R217 PolarHBondContact O-N 3.37Å; F215-R217 VanDerWaalsContact C-N 3.26Å; F215-R217 PolarHBondContact O-N 3.2Å; R217-G219 VanDerWaalsContact C-N 3.27Å; R217-G219 PolarHBondContact O-N 3.36Å |
| 218 | S | 42.8 | Very low | 55.4 | Low | 115 Ų | 115 | 116.8 Ų | 116.8 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -92.7 | 58.5 | 178.1 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 219 | G | 40.5 | Very low | 53.4 | Low | 61 Ų | 61 | 119.2 Ų | 119.2 | 63% | 0.629 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -164.4 | 118.6 | 173 | 0 | 0 | 0 | 0 | 0 | 107.7 | R217 | R217-G219 VanDerWaalsContact C-N 3.27Å; R217-G219 PolarHBondContact O-N 3.36Å |
| 220 | S | 39.6 | Very low | 51.3 | Low | 127 Ų | 127 | 120.4 Ų | 120.4 | 89% | 0.888 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 83.5 | 101.1 | 179 | -179.1 | 0 | 0 | 0 | 0 | 117.7 | ||
| 221 | G | 38 | Very low | 49.5 | Very low | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 72% | 0.719 | S | S | * | * | 88.4 | 106.4 | 119.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 222 | T | 42.9 | Very low | 48.1 | Very low | 139 Ų | 139 | 122.4 Ų | 122.4 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | trans | -52.3 | 144.6 | 157.7 | 43.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 223 | P | 43.6 | Very low | 47.3 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | trans | -122 | 115.2 | 135 | 3.4 | 17.3 | 0 | 0 | 0 | 109.8 | K225 | P223-K225 PolarHBondContact O-N 3.28Š| ||
| 224 | T | 42.2 | Very low | 46.5 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -48 | 126.1 | 164.8 | 29.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 225 | K | 42 | Very low | 45.9 | Very low | 214 Ų | 214 | 127.9 Ų | 127.9 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -72.9 | 121.6 | 163.5 | -95.4 | -179.9 | 167.5 | 177.6 | 0 | 109.8 | P223 | P223-K225 PolarHBondContact O-N 3.28Š| ||
| 226 | S | 44.3 | Very low | 45.4 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -128.1 | 108 | 153.2 | 44.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 227 | R | 45.6 | Very low | 45.4 | Very low | 241 Ų | 241 | 132.6 Ų | 132.6 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -51.2 | 142.2 | 144.4 | -76.4 | 165.2 | 142.8 | -175.2 | -8.8 | 106.1 | ||||
| 228 | S | 44.7 | Very low | 45.4 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | cis | -176.6 | 154.9 | 45.4 | 7.5 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 229 | V | 48.2 | Very low | 45.9 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | 170.1 | 145.3 | 102 | 165.1 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 230 | S | 48 | Very low | 46.4 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -48 | 154.2 | 176.3 | 48.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 231 | G | 48.5 | Very low | 47.2 | Very low | 67 Ų | 67 | 133.9 Ų | 133.9 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | 162.3 | 102 | 147.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 232 | V | 52 | Low | 47.8 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | 62.7 | 98.2 | 114.1 | -175.8 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 233 | L | 57.9 | Low | 48.2 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | 72.5 | 138.9 | 96.2 | -70 | 168.5 | 0 | 0 | 0 | 117.2 | |||||
| 234 | N | 50.2 | Low | 48.9 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | 74.3 | 133.9 | 168.8 | -67.6 | -6.1 | 0 | 0 | 0 | 116.1 | ||||
| 235 | G | 45.1 | Very low | 49.6 | Very low | 79 Ų | 79 | 141.9 Ų | 141.9 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | cis | 128.2 | 131.5 | 19.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 236 | G | 44.3 | Very low | 50 | Low | 87 Ų | 87 | 138.3 Ų | 138.3 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | 117.5 | 140.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 237 | K | 46.1 | Very low | 50.3 | Low | 210 Ų | 210 | 139.6 Ų | 139.6 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | trans | -100.6 | 154.3 | -169.9 | -69.3 | 170 | 164.2 | 174.4 | 0 | 112.7 | ||||
| 238 | S | 47.1 | Very low | 50.5 | Low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | trans | 175.5 | 118.7 | 133.5 | 58.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 239 | M | 52.5 | Low | 50.9 | Low | 173 Ų | 173 | 135.6 Ų | 135.6 | 85% | 0.852 | 83% | 0.825 | S | S | * | * | 64 | 126.6 | 76.5 | -80.4 | -156.2 | 74.9 | 0 | 0 | 117.6 | |||||
| 240 | S | 52.2 | Low | 51 | Low | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 83% | 0.827 | S | S | * | * | trans | 77.2 | 145 | 155.2 | 84 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 241 | H | 55.1 | Low | 51.2 | Low | 161 Ų | 161 | 137.3 Ų | 137.3 | 75% | 0.745 | 83% | 0.829 | S | S | * | * | cis | -172.9 | 169.3 | -3.9 | -129.9 | -95.2 | 0 | 0 | 0 | 107.8 | ||||
| 242 | N | 50.9 | Low | 51.4 | Low | 123 Ų | 123 | 142.4 Ų | 142.4 | 66% | 0.658 | 84% | 0.839 | S | S | * | * | trans | 86.2 | 111.1 | 158.3 | -58.8 | -6.8 | 0 | 0 | 0 | 117.8 | ||||
| 243 | E | 51.8 | Low | 51.4 | Low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 84% | 0.842 | S | S | * | * | 55.7 | 121.4 | 82.8 | -83.2 | -172.5 | 115 | 0 | 0 | 111.7 | |||||
| 244 | S | 57.3 | Low | 50.9 | Low | 110 Ų | 110 | 142.6 Ų | 142.6 | 77% | 0.769 | 85% | 0.847 | S | S | * | * | -173.4 | 135.2 | 69.2 | -43.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 245 | T | 57.5 | Low | 50.9 | Low | 216 Ų | 216 | 140.8 Ų | 140.8 | 100% | 1.325 | 85% | 0.845 | S | S | * | * | trans | 153.5 | 0 | 138 | -56 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 245 of 245 residues in 576.7 ms
(Link to these results)