| 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 | 31.4 | Very low | 35.4 | Very low | 222 Ų | 222 | 139 Ų | 139 | 100% | 1.094 | 76% | 0.762 | S | S | * | * | 0 | 73.5 | 0 | -81.4 | -62 | 176.6 | 0 | 0 | 105 | |||||
| 2 | D | 28.1 | Very low | 35.1 | Very low | 163 Ų | 163 | 134 Ų | 134 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | -91.5 | 124.4 | -164.1 | -60 | -99.2 | 0 | 0 | 0 | 106.5 | ||||
| 3 | T | 40.9 | Very low | 35.2 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | trans | -137.4 | 114.9 | 179 | -35.5 | 0 | 0 | 0 | 0 | 107.9 | C5 | T3-C5 PolarHBondContact O-N 2.89Å; T3-C5 VanDerWaalsContact O-N 3.17Å | ||
| 4 | D | 34.7 | Very low | 35.1 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -51.4 | 115.7 | 177.8 | -97.4 | -63.4 | 0 | 0 | 0 | 112.1 | T6 | D4-T6 VanDerWaalsContact C-N 3.34Å; D4-T6 PolarHBondContact O-N 3.1Å | ||
| 5 | C | 33.1 | Very low | 35.2 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | -95.6 | 56.8 | 173.2 | -83.9 | 0 | 0 | 0 | 0 | 111.3 | T3 V7 | T3-C5 PolarHBondContact O-N 2.89Å; T3-C5 VanDerWaalsContact O-N 3.17Å; C5-V7 PolarHBondContact O-N 3.45Å | ||
| 6 | T | 33.5 | Very low | 34.9 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -76.7 | 76.3 | 169.2 | -60.6 | 0 | 0 | 0 | 0 | 109.9 | D4 A8 | D4-T6 VanDerWaalsContact C-N 3.34Å; D4-T6 PolarHBondContact O-N 3.1Å; T6-A8 PolarHBondContact O-N 3.3Å | ||
| 7 | V | 39.2 | Very low | 34.6 | Very low | 89 Ų | 89 | 138.4 Ų | 138.4 | 54% | 0.539 | 78% | 0.778 | S | S | . | * | trans | -89.1 | 93.5 | 174.1 | -171.9 | 0 | 0 | 0 | 0 | 109.5 | C5 W9 | C5-V7 PolarHBondContact O-N 3.45Å; V7-W9 HydrophobicContact CG1-CG 4.48Å; V7-W9 PolarHBondContact O-N 3.06Å; V7-W9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | A | 34.1 | Very low | 34.5 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -66.7 | 104.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T6 | T6-A8 PolarHBondContact O-N 3.3Š| ||
| 9 | W | 38.7 | Very low | 34.1 | Very low | 94 Ų | 94 | 141.6 Ų | 141.6 | 36% | 0.356 | 78% | 0.781 | S | S | . | * | trans | -96.6 | 86 | 172.8 | -78.2 | 97.2 | 0 | 0 | 0 | 111.2 | V7 L199 L333 | V7-W9 HydrophobicContact CG1-CG 4.48Å; V7-W9 PolarHBondContact O-N 3.06Å; V7-W9 VanDerWaalsContact O-N 3.08Å; W9-L199 HydrophobicContact CH2-CD2 3.82Å; W9-L199 HydrophobicContact CZ2-CD2 4.44Å; W9-L333 HydrophobicContact CZ2-CD1 4.36Å | ||
| 10 | Q | 36.4 | Very low | 34 | Very low | 186 Ų | 186 | 142.1 Ų | 142.1 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -75.5 | 127.1 | 158.6 | -77.9 | -176.6 | -7.1 | 0 | 0 | 109.3 | G12 | Q10-G12 PolarHBondContact O-N 2.78Š| ||
| 11 | Q | 39.1 | Very low | 34 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -74.9 | 117.8 | 169 | -75.3 | 174.2 | -21.7 | 0 | 0 | 108.3 | R13 | Q11-R13 PolarHBondContact O-N 3.49Š| ||
| 12 | G | 32.3 | Very low | 34 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | trans | -65.6 | 115.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q10 | Q10-G12 PolarHBondContact O-N 2.78Š| ||
| 13 | R | 35.8 | Very low | 34.4 | Very low | 235 Ų | 235 | 134.2 Ų | 134.2 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | trans | -106.3 | 129.7 | 152.8 | -79.5 | -172.5 | 171.4 | -133.6 | 0.8 | 107.8 | Q11 G15 | Q11-R13 PolarHBondContact O-N 3.49Å; R13-G15 PolarHBondContact O-N 3.13Å | ||
| 14 | P | 33.7 | Very low | 34 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | trans | -74.4 | 110.5 | 170.8 | 30.1 | -31 | 0 | 0 | 0 | 108.9 | ||||
| 15 | G | 36.3 | Very low | 34.3 | Very low | 61 Ų | 61 | 131.2 Ų | 131.2 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | trans | -145.9 | 128 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | R13 | R13-G15 PolarHBondContact O-N 3.13Š| ||
| 16 | P | 30.7 | Very low | 34.4 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -87.4 | 118.5 | -169.2 | 32.1 | -31.6 | 0 | 0 | 0 | 110.9 | ||||
| 17 | F | 30 | Very low | 34.3 | Very low | 182 Ų | 182 | 133.8 Ų | 133.8 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | trans | -165.6 | 144.7 | 146.6 | -126.1 | -140.4 | 0 | 0 | 0 | 118 | ||||
| 18 | M | 33 | Very low | 34.1 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 70% | 0.704 | 79% | 0.786 | S | S | * | * | trans | 44.6 | 100.8 | 156 | -67.1 | -161.7 | -53.4 | 0 | 0 | 121.3 | ||||
| 19 | Q | 27.5 | Very low | 34.2 | Very low | 195 Ų | 195 | 137.4 Ų | 137.4 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | -43.2 | 129.6 | 148.2 | -170.6 | 166.6 | 5.9 | 0 | 0 | 113.1 | ||||
| 20 | L | 31.1 | Very low | 34.2 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -121 | 148.3 | 168.4 | -75 | 174.7 | 0 | 0 | 0 | 110 | ||||
| 21 | P | 33.4 | Very low | 34.3 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -81.1 | 140 | -164.7 | 31.4 | -35.5 | 0 | 0 | 0 | 113.5 | S23 | P21-S23 PolarHBondContact O-N 2.92Š| ||
| 22 | V | 32.5 | Very low | 34.3 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -76 | 119.3 | 167.5 | 175.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 23 | S | 36 | Very low | 34.6 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -114.9 | 113.8 | 167.1 | -69.5 | 0 | 0 | 0 | 0 | 109.2 | P21 | P21-S23 PolarHBondContact O-N 2.92Š| ||
| 24 | A | 32.5 | Very low | 34.7 | Very low | 89 Ų | 89 | 126.7 Ų | 126.7 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 138.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 25 | P | 41.7 | Very low | 35 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 133.7 | 160.8 | -7 | 25.5 | 0 | 0 | 0 | 110.4 | ||
| 26 | Q | 35.1 | Very low | 35.2 | Very low | 193 Ų | 193 | 134.1 Ų | 134.1 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 152.5 | 175.2 | -67.6 | 173.6 | -61.2 | 0 | 0 | 112.1 | ||
| 27 | A | 31 | Very low | 35.6 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 141 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 28 | S | 36.2 | Very low | 36.4 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -119.8 | 122.1 | 158.4 | 63.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 29 | V | 36.4 | Very low | 37.4 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -98.9 | 137 | 173.1 | 175.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 30 | N | 37 | Very low | 38.6 | Very low | 160 Ų | 160 | 123.7 Ų | 123.7 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -147.9 | 127.6 | 156.9 | -144.3 | -1.5 | 0 | 0 | 0 | 110.2 | ||||
| 31 | P | 39 | Very low | 39.2 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -108.1 | 163.6 | -168.7 | 40 | -34.5 | 0 | 0 | 0 | 115 | ||||
| 32 | G | 39.3 | Very low | 39.7 | Very low | 77 Ų | 77 | 123.5 Ų | 123.5 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 166.6 | 152.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 33 | S | 38 | Very low | 40.1 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | cis | -165.1 | 138.6 | -7.2 | 167.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 34 | G | 38.4 | Very low | 40.5 | Very low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 173.2 | 75.8 | -178 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 35 | Y | 39.6 | Very low | 40.8 | Very low | 201 Ų | 201 | 128.6 Ų | 128.6 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | trans | 10.8 | 141.1 | 142.9 | -61.8 | -85.5 | 0 | 0 | 0 | 119.3 | ||||
| 36 | N | 40.3 | Very low | 40.7 | Very low | 157 Ų | 157 | 127.6 Ų | 127.6 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | cis | -170.7 | 154.2 | 32.1 | -123.9 | -27.3 | 0 | 0 | 0 | 112.3 | ||||
| 37 | G | 38.9 | Very low | 40.9 | Very low | 68 Ų | 68 | 122.1 Ų | 122.1 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 118.5 | 142.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 38 | P | 47.3 | Very low | 41.5 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -126.5 | 161.7 | -147.3 | 40 | -24.4 | 0 | 0 | 0 | 118.5 | ||||
| 39 | P | 55 | Low | 41.8 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | -99.6 | 171.5 | 164.3 | 42.3 | -35.4 | 0 | 0 | 0 | 111.5 | ||||
| 40 | P | 51.3 | Low | 42 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | -161.7 | 162.6 | 86.8 | 41.8 | -21.4 | 0 | 0 | 0 | 118.8 | |||||
| 41 | N | 44.1 | Very low | 42.1 | Very low | 154 Ų | 154 | 119.2 Ų | 119.2 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | 170 | 149.1 | 136.7 | -103.1 | -10.5 | 0 | 0 | 0 | 109.1 | ||||
| 42 | V | 44.3 | Very low | 42.2 | Very low | 106 Ų | 106 | 121.8 Ų | 121.8 | 64% | 0.642 | 77% | 0.767 | S | S | * | * | cis | 167 | 156.6 | -21.8 | 136.9 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 43 | M | 41.7 | Very low | 42.3 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 82% | 0.823 | 77% | 0.765 | S | S | * | * | trans | 80.2 | 114.6 | 172.5 | -82.3 | 164.4 | -172 | 0 | 0 | 117.1 | ||||
| 44 | V | 43.7 | Very low | 42.5 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | 101.5 | 135.9 | 63.2 | 145.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 45 | Q | 39.4 | Very low | 42.6 | Very low | 163 Ų | 163 | 127.9 Ų | 127.9 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | cis | -158.9 | 159.2 | 18.8 | -136.6 | 157.5 | 33 | 0 | 0 | 111.8 | ||||
| 46 | S | 38.4 | Very low | 42.3 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | 31.2 | 150.8 | 141.3 | 67.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 47 | A | 40.1 | Very low | 42.7 | Very low | 78 Ų | 78 | 120.5 Ų | 120.5 | 65% | 0.645 | 77% | 0.765 | S | S | * | * | cis | -162.2 | 145.1 | 23.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 48 | T | 42.2 | Very low | 42.7 | Very low | 132 Ų | 132 | 120 Ų | 120 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | trans | 53 | 133.6 | 137.3 | 55.3 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 49 | P | 43.4 | Very low | 42.5 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | -113.1 | -179.6 | 169.8 | 43.1 | -34.1 | 0 | 0 | 0 | 115.1 | ||||
| 50 | S | 40.6 | Very low | 42 | Very low | 128 Ų | 128 | 122.7 Ų | 122.7 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | trans | -164.4 | 131.3 | 158.5 | -76.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 51 | G | 39.2 | Very low | 41.7 | Very low | 70 Ų | 70 | 123.2 Ų | 123.2 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | 95.5 | 134.9 | 82.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 52 | H | 42.1 | Very low | 42 | Very low | 171 Ų | 171 | 121.7 Ų | 121.7 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | cis | -152.1 | 149.1 | 12.9 | -93.5 | -61.1 | 0 | 0 | 0 | 109.5 | ||||
| 53 | L | 39.8 | Very low | 41.9 | Very low | 141 Ų | 141 | 124.6 Ų | 124.6 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | 51.2 | 139.9 | 105.3 | -49.4 | 179.8 | 0 | 0 | 0 | 116 | |||||
| 54 | I | 43 | Very low | 41.9 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | cis | -164 | 148.7 | 34.1 | -129.1 | 146 | 0 | 0 | 0 | 113.3 | ||||
| 55 | A | 40.3 | Very low | 41.8 | Very low | 96 Ų | 96 | 122.6 Ų | 122.6 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | trans | 39.4 | 142.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 56 | G | 34.2 | Very low | 41.8 | Very low | 67 Ų | 67 | 123.8 Ų | 123.8 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | -95.7 | -137.6 | 149.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 57 | P | 47.3 | Very low | 42.2 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | cis | -140.2 | -173.9 | -10.9 | 43.4 | -25.7 | 0 | 0 | 0 | 115.1 | ||||
| 58 | G | 38.6 | Very low | 42.2 | Very low | 58 Ų | 58 | 124.5 Ų | 124.5 | 60% | 0.598 | 79% | 0.788 | S | S | * | * | trans | 114.1 | 143.3 | 135.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 59 | H | 43.7 | Very low | 42.8 | Very low | 182 Ų | 182 | 123.8 Ų | 123.8 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 70.6 | 150.5 | 154 | -57.7 | -81 | 0 | 0 | 0 | 120.5 | ||||
| 60 | T | 45 | Very low | 42.5 | Very low | 119 Ų | 119 | 123.5 Ų | 123.5 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | cis | -170.1 | 153.3 | -30.1 | 24.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 61 | P | 44.9 | Very low | 42.8 | Very low | 125 Ų | 125 | 122.7 Ų | 122.7 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -107.6 | 151.8 | -178 | 38.8 | -33 | 0 | 0 | 0 | 116.7 | ||||
| 62 | P | 50.4 | Low | 42.7 | Very low | 122 Ų | 122 | 124.7 Ų | 124.7 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | -142.5 | 178.4 | 150.4 | 33.1 | -14.5 | 0 | 0 | 0 | 113.6 | ||||
| 63 | Q | 42.3 | Very low | 42.6 | Very low | 166 Ų | 166 | 122.9 Ų | 122.9 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | cis | -170.6 | 136.7 | -40.6 | -170.6 | -164.2 | 95.5 | 0 | 0 | 109.5 | ||||
| 64 | L | 40.4 | Very low | 42.8 | Very low | 165 Ų | 165 | 122.2 Ų | 122.2 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | 53.1 | 138.6 | 159.7 | -85.9 | 162.3 | 0 | 0 | 0 | 122.6 | ||||
| 65 | G | 43.4 | Very low | 42.6 | Very low | 77 Ų | 77 | 120 Ų | 120 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 173.3 | 96.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 66 | Q | 39 | Very low | 42.5 | Very low | 188 Ų | 188 | 118.9 Ų | 118.9 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -106.7 | -178.6 | 157 | -72.5 | -167.3 | 1.5 | 0 | 0 | 108.3 | ||||
| 67 | P | 46.8 | Very low | 42.9 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | cis | -135.7 | -170.8 | 0.5 | 42.2 | -23.9 | 0 | 0 | 0 | 114.9 | ||||
| 68 | G | 40.5 | Very low | 42.6 | Very low | 73 Ų | 73 | 125.9 Ų | 125.9 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | 145.3 | 135.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 69 | P | 53.4 | Low | 42.4 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -125.2 | 151.6 | -165.1 | 40.7 | -26.9 | 0 | 0 | 0 | 118.6 | ||||
| 70 | S | 38.6 | Very low | 42.4 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 62.8 | 173.6 | 149.9 | -54 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 71 | P | 46.3 | Very low | 42.3 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | cis | -136.1 | -176.7 | -3.6 | 44.5 | -27.8 | 0 | 0 | 0 | 116.8 | ||||
| 72 | C | 37.7 | Very low | 42 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | trans | 74.5 | 112.3 | 148.4 | -69.6 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 73 | V | 38.5 | Very low | 41.5 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | 5.1 | 163.7 | 125.6 | -93.9 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 74 | P | 45.6 | Very low | 41.1 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | cis | -138.6 | -169.2 | 13.4 | 33.6 | -9.1 | 0 | 0 | 0 | 117.4 | ||||
| 75 | A | 37.9 | Very low | 41 | Very low | 106 Ų | 106 | 121.7 Ų | 121.7 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | trans | -79.2 | 161.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 76 | G | 39 | Very low | 40.5 | Very low | 71 Ų | 71 | 123.4 Ų | 123.4 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | 178.6 | 92.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 77 | M | 41.1 | Very low | 40.4 | Very low | 188 Ų | 188 | 122.7 Ų | 122.7 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | trans | 56.1 | 139.9 | 143.5 | -55.7 | -161.2 | 176.8 | 0 | 0 | 124.8 | ||||
| 78 | H | 40.7 | Very low | 39.8 | Very low | 162 Ų | 162 | 120.5 Ų | 120.5 | 75% | 0.75 | 79% | 0.785 | S | S | * | * | trans | 97 | 114.6 | 137.4 | -128.7 | 75.7 | 0 | 0 | 0 | 122.5 | ||||
| 79 | L | 35.4 | Very low | 39.6 | Very low | 135 Ų | 135 | 126.1 Ų | 126.1 | 71% | 0.707 | 79% | 0.789 | S | S | * | * | trans | -2.7 | 158.9 | 134.2 | -60.7 | 167.5 | 0 | 0 | 0 | 118.6 | ||||
| 80 | P | 42.8 | Very low | 38.6 | Very low | 117 Ų | 117 | 128 Ų | 128 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | cis | -145 | -175.6 | 34.7 | 36.9 | -13.2 | 0 | 0 | 0 | 116.9 | ||||
| 81 | P | 44 | Very low | 38.4 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -99.6 | 171 | 177 | 38.9 | -34.1 | 0 | 0 | 0 | 113.8 | ||||
| 82 | E | 39.1 | Very low | 37.8 | Very low | 155 Ų | 155 | 130.5 Ų | 130.5 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | trans | 171.2 | 147.3 | 132.2 | -91.7 | -77.4 | 57 | 0 | 0 | 115 | ||||
| 83 | H | 40 | Very low | 37.5 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | 55.8 | 117.7 | 148.3 | -80.2 | 37.2 | 0 | 0 | 0 | 124.5 | ||||
| 84 | G | 32.8 | Very low | 37.4 | Very low | 84 Ų | 84 | 131.9 Ų | 131.9 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | 90.6 | 119 | 110.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 85 | G | 38.1 | Very low | 36.7 | Very low | 87 Ų | 87 | 133.5 Ų | 133.5 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | 171.3 | 122.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 86 | S | 33.3 | Very low | 36.5 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -121.2 | 132.3 | 174.5 | 173.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 87 | L | 37.4 | Very low | 36.1 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -178.1 | 148 | 136 | -101 | 159.4 | 0 | 0 | 0 | 114.7 | ||||
| 88 | A | 33.6 | Very low | 35.7 | Very low | 80 Ų | 80 | 144.7 Ų | 144.7 | 66% | 0.661 | 80% | 0.797 | S | S | * | * | trans | -68.3 | 170.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 89 | K | 35.6 | Very low | 35.2 | Very low | 191 Ų | 191 | 142.1 Ų | 142.1 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | 102.7 | 124.8 | 141.2 | -80.4 | 177 | 175.4 | 178.3 | 0 | 121.6 | ||||
| 90 | L | 33.2 | Very low | 35.1 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | 105 | 146.8 | 129.5 | -112.6 | 87.9 | 0 | 0 | 0 | 122.2 | |||||
| 91 | S | 34.3 | Very low | 34.7 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | trans | 69.2 | 105.8 | 165 | -149.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 92 | Q | 34.2 | Very low | 34.3 | Very low | 180 Ų | 180 | 141.5 Ų | 141.5 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | 74 | 134.2 | 62.6 | -74.6 | -161.6 | 0.7 | 0 | 0 | 116.9 | |||||
| 93 | F | 31.9 | Very low | 33.9 | Very low | 172 Ų | 172 | 142 Ų | 142 | 75% | 0.754 | 81% | 0.813 | S | S | * | * | trans | 93.7 | 98.2 | 147.1 | -137.8 | -88.3 | 0 | 0 | 0 | 120.4 | ||||
| 94 | A | 35.4 | Very low | 33.5 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -159.5 | 97.5 | 142.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 95 | Q | 31.6 | Very low | 33.4 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | trans | -86.2 | 134.7 | 167.9 | -70.7 | 175.1 | -24.2 | 0 | 0 | 109.8 | ||||
| 96 | R | 32.8 | Very low | 33.4 | Very low | 253 Ų | 253 | 143.7 Ų | 143.7 | 96% | 0.955 | 81% | 0.81 | S | S | * | * | trans | -135.9 | 133.6 | 149.9 | -79.4 | -164.8 | 174.3 | 179.4 | -1 | 110.5 | ||||
| 97 | T | 30.7 | Very low | 33.6 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 77% | 0.767 | 82% | 0.816 | S | S | * | * | trans | -86.6 | 140.3 | -171.8 | 45.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 98 | F | 32.1 | Very low | 33.4 | Very low | 222 Ų | 222 | 150.4 Ų | 150.4 | 97% | 0.974 | 82% | 0.816 | S | S | * | * | trans | -137.3 | 137 | 146.7 | -110.2 | -85.4 | 0 | 0 | 0 | 109.3 | ||||
| 99 | S | 30.2 | Very low | 33.4 | Very low | 107 Ų | 107 | 155.1 Ų | 155.1 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | trans | -131.4 | 118.8 | -167.3 | 53.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 100 | S | 34.4 | Very low | 33.4 | Very low | 115 Ų | 115 | 154.7 Ų | 154.7 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -166.4 | 101.3 | 156.4 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 101 | S | 33.8 | Very low | 33.3 | Very low | 111 Ų | 111 | 152.4 Ų | 152.4 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | trans | 42.6 | 144 | 136.6 | -60.6 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 102 | T | 35.4 | Very low | 33 | Very low | 122 Ų | 122 | 151.7 Ų | 151.7 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | 66.4 | 80.2 | 147.8 | 49.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 103 | N | 31.8 | Very low | 32.8 | Very low | 165 Ų | 165 | 153.6 Ų | 153.6 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | 177.3 | 110 | 98.5 | -96.9 | -50 | 0 | 0 | 0 | 111.7 | |||||
| 104 | S | 30.4 | Very low | 32.8 | Very low | 119 Ų | 119 | 151 Ų | 151 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -102.3 | 107.1 | 175.7 | 55.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 105 | S | 32.1 | Very low | 32.6 | Very low | 114 Ų | 114 | 154.3 Ų | 154.3 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | 175.7 | 52.7 | 144.1 | -172 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 106 | V | 37 | Very low | 32.7 | Very low | 138 Ų | 138 | 151.9 Ų | 151.9 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -143 | 37.1 | 172.9 | -135.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 107 | M | 37.5 | Very low | 32.8 | Very low | 188 Ų | 188 | 150.9 Ų | 150.9 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -155.9 | 53.1 | 178.9 | -147.6 | 177.9 | -74.8 | 0 | 0 | 114.9 | ||
| 108 | R | 34.4 | Very low | 33.1 | Very low | 238 Ų | 238 | 154 Ų | 154 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -134.9 | 3.4 | 176.7 | -96 | -168.8 | -179.8 | -168.3 | 0.8 | 117.6 | ||
| 109 | E | 32.6 | Very low | 33.1 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -108.6 | 6.8 | -174 | -143.2 | 169.6 | -174.1 | 0 | 0 | 115.2 | ||
| 110 | L | 35 | Very low | 33.4 | Very low | 182 Ų | 182 | 151.4 Ų | 151.4 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -107.1 | 13.9 | -179.4 | -75.5 | 166.6 | 0 | 0 | 0 | 114.7 | ||
| 111 | S | 32.2 | Very low | 33.8 | Very low | 108 Ų | 108 | 151.6 Ų | 151.6 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -108.2 | 6.3 | -177.9 | 66.9 | 0 | 0 | 0 | 0 | 116 | ||
| 112 | C | 26.9 | Very low | 33.8 | Very low | 85 Ų | 85 | 157.8 Ų | 157.8 | 57% | 0.574 | 81% | 0.814 | S | S | * | * | trans | -132.5 | 51.7 | -174.3 | 66.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 113 | Y | 30 | Very low | 33.9 | Very low | 220 Ų | 220 | 160 Ų | 160 | 86% | 0.863 | 82% | 0.822 | S | S | * | * | trans | -115.7 | 42.6 | 160.5 | -93.7 | -81.3 | 0 | 0 | 0 | 113.3 | F115 | Y113-F115 VanDerWaalsContact C-N 3.31Å; Y113-F115 PolarHBondContact O-N 3.36Å | ||
| 114 | T | 31.8 | Very low | 34.4 | Very low | 117 Ų | 117 | 156.6 Ų | 156.6 | 72% | 0.718 | 82% | 0.817 | S | S | * | * | trans | -67.1 | 93.5 | 151.2 | 39.5 | 0 | 0 | 0 | 0 | 108.6 | V116 | T114-V116 VanDerWaalsContact C-N 3.27Å; T114-V116 PolarHBondContact O-N 3.18Å | ||
| 115 | F | 31.3 | Very low | 34.9 | Very low | 172 Ų | 172 | 158.7 Ų | 158.7 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | trans | -67.1 | 87 | 174.4 | -172.1 | -96.7 | 0 | 0 | 0 | 110.3 | Y113 R117 | Y113-F115 VanDerWaalsContact C-N 3.31Å; Y113-F115 PolarHBondContact O-N 3.36Å; F115-R117 PolarHBondContact O-N 3.03Å | ||
| 116 | V | 34.9 | Very low | 35 | Very low | 111 Ų | 111 | 162.1 Ų | 162.1 | 67% | 0.673 | 82% | 0.817 | S | S | * | * | trans | -64.3 | 108.2 | 172.9 | 175.7 | 0 | 0 | 0 | 0 | 108 | T114 K118 | T114-V116 VanDerWaalsContact C-N 3.27Å; T114-V116 PolarHBondContact O-N 3.18Å; V116-K118 PolarHBondContact O-N 3.43Å | ||
| 117 | R | 34 | Very low | 35 | Very low | 231 Ų | 231 | 165 Ų | 165 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | trans | -56.1 | 99.7 | 172.3 | -73.7 | 179.6 | 170.6 | 173.9 | -1.3 | 110.4 | F115 | F115-R117 PolarHBondContact O-N 3.03Š| ||
| 118 | K | 36.7 | Very low | 34.9 | Very low | 191 Ų | 191 | 161.1 Ų | 161.1 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | -83.6 | 138.3 | 155.3 | -82.9 | -174.5 | 173.8 | 178.4 | 0 | 109.2 | V116 | V116-K118 PolarHBondContact O-N 3.43Š| ||
| 119 | G | 33 | Very low | 35.2 | Very low | 79 Ų | 79 | 157.6 Ų | 157.6 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | -67.9 | 133.7 | -162.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 120 | F | 37.3 | Very low | 35.5 | Very low | 196 Ų | 196 | 153.9 Ų | 153.9 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -107.5 | 144 | 153.8 | -105.8 | -102.4 | 0 | 0 | 0 | 108.8 | R122 | F120-R122 PolarHBondContact O-N 3.18Š| ||
| 121 | P | 42.1 | Very low | 36 | Very low | 119 Ų | 119 | 152.6 Ų | 152.6 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -62.4 | 137.2 | -175.5 | 24.1 | -33.5 | 0 | 0 | 0 | 111.9 | N123 | P121-N123 PolarHBondContact O-N 2.91Å; P121-N123 VanDerWaalsContact O-N 3.13Å | ||
| 122 | R | 34.6 | Very low | 36.7 | Very low | 240 Ų | 240 | 149.5 Ų | 149.5 | 91% | 0.906 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -65.3 | 110.5 | 172.4 | -63.1 | 174.5 | -177.7 | 173 | 0.5 | 108.6 | F120 | F120-R122 PolarHBondContact O-N 3.18Š|
| 123 | N | 36.7 | Very low | 37.4 | Very low | 169 Ų | 169 | 157.9 Ų | 157.9 | 90% | 0.904 | 77% | 0.77 | S | S | * | * | trans | 178.7 | 72 | 145.8 | -89.3 | -16.2 | 0 | 0 | 0 | 110.4 | P121 | P121-N123 PolarHBondContact O-N 2.91Å; P121-N123 VanDerWaalsContact O-N 3.13Å | ||
| 124 | A | 42.1 | Very low | 38.5 | Very low | 94 Ų | 94 | 150.8 Ų | 150.8 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | trans | -119.2 | 123.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | K126 | A124-K126 PolarHBondContact O-N 3.41Š| ||
| 125 | I | 39.9 | Very low | 39.5 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | trans | -60.5 | 117.3 | -174.5 | -68.3 | 164.2 | 0 | 0 | 0 | 109.5 | K127 | I125-K127 PolarHBondContact O-N 2.87Š| ||
| 126 | K | 35.9 | Very low | 40.4 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 81% | 0.809 | 72% | 0.715 | S | S | * | * | trans | -66.6 | 91.6 | 172.9 | -68.8 | -178.9 | 178.5 | 179.2 | 0 | 109.8 | A124 T128 | A124-K126 PolarHBondContact O-N 3.41Å; K126-T128 HydrophobicContact CB-CG2 4.2Å; K126-T128 PolarHBondContact O-N 3.34Å | ||
| 127 | K | 36 | Very low | 41 | Very low | 197 Ų | 197 | 141.1 Ų | 141.1 | 86% | 0.857 | 72% | 0.72 | S | S | * | * | trans | -70.9 | 86.2 | 152.1 | -78.4 | -173 | 176.3 | -179.2 | 0 | 107.3 | I125 F129 | I125-K127 PolarHBondContact O-N 2.87Å; K127-F129 PolarHBondContact O-N 3.45Å | ||
| 128 | T | 34.8 | Very low | 41.9 | Very low | 107 Ų | 107 | 135 Ų | 135 | 66% | 0.656 | 71% | 0.713 | S | S | * | * | trans | -64.8 | 101.5 | 171.5 | 47.3 | 0 | 0 | 0 | 0 | 108.6 | K126 S130 | K126-T128 HydrophobicContact CB-CG2 4.2Å; K126-T128 PolarHBondContact O-N 3.34Å; T128-S130 PolarHBondContact O-N 2.79Å; T128-S130 VanDerWaalsContact O-N 3.08Å | ||
| 129 | F | 40.9 | Very low | 43.1 | Very low | 164 Ų | 164 | 128.8 Ų | 128.8 | 72% | 0.719 | 69% | 0.686 | S | S | * | * | trans | -66.3 | 105.4 | 163.1 | -172.6 | -96.3 | 0 | 0 | 0 | 107.2 | K127 R131 | K127-F129 PolarHBondContact O-N 3.45Å; F129-R131 PolarHBondContact O-N 2.91Å | ||
| 130 | S | 39.4 | Very low | 45.2 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 70% | 0.699 | 67% | 0.67 | S | S | * | * | trans | -63 | 107.2 | -178.7 | -55.3 | 0 | 0 | 0 | 0 | 109.5 | T128 | T128-S130 PolarHBondContact O-N 2.79Å; T128-S130 VanDerWaalsContact O-N 3.08Å | ||
| 131 | R | 45.8 | Very low | 47.5 | Very low | 156 Ų | 156 | 120.2 Ų | 120.2 | 59% | 0.589 | 63% | 0.63 | S | S | * | * | trans | -55.3 | 132.3 | 173.4 | -76.6 | -173.5 | 169.2 | -143.1 | -6.3 | 109.4 | F129 R133 | F129-R131 PolarHBondContact O-N 2.91Å; R131-R133 PolarHBondContact O-N 3.49Å | ||
| 132 | P | 46.2 | Very low | 49.6 | Very low | 42 Ų | 42 | 116.4 Ų | 116.4 | 27% | 0.273 | 60% | 0.604 | S | S | . | * | trans | -56.6 | 131.4 | 170.3 | -23.5 | 33.8 | 0 | 0 | 0 | 110.3 | G134 | P132-G134 PolarHBondContact O-N 2.79Å; P132-G134 VanDerWaalsContact O-N 3.17Å | ||
| 133 | R | 42.7 | Very low | 52.2 | Low | 262 Ų | 262 | 110.9 Ų | 110.9 | 99% | 0.989 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 110.9 | 170.9 | -81.5 | -179 | -91.1 | -159.6 | -5.6 | 108 | R131 | R131-R133 PolarHBondContact O-N 3.49Š|
| 134 | G | 53 | Low | 54.9 | Low | 71 Ų | 71 | 103.5 Ų | 103.5 | 73% | 0.732 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 153 | -26.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P132 | P132-G134 PolarHBondContact O-N 2.79Å; P132-G134 VanDerWaalsContact O-N 3.17Å |
| 135 | L | 52 | Low | 57.3 | Low | 32 Ų | 32 | 99.1 Ų | 99.1 | 17% | 0.168 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -88.5 | 126.5 | 176.8 | -77.5 | 137.7 | 0 | 0 | 0 | 111.5 | F226 F266 | L135-F226 HydrophobicContact CD1-CD1 3.53Å; L135-F226 HydrophobicContact CD1-CE1 3.71Å; L135-F226 HydrophobicContact CD2-CE1 4.33Å; L135-F266 HydrophobicContact CD2-CD1 4.41Å; L135-F266 HydrophobicContact CD2-CD2 4.48Å; L135-F266 HydrophobicContact CD2-CE1 4.21Å; L135-F266 HydrophobicContact CD2-CE2 4.3Å; L135-F266 HydrophobicContact CD2-CZ 4.14Å |
| 136 | P | 51 | Low | 59.9 | Low | 44 Ų | 44 | 97 Ų | 97 | 29% | 0.286 | 49% | 0.492 | S | S | . | . | trans | -49.2 | 135.6 | 174 | -30.3 | 31.8 | 0 | 0 | 0 | 113.7 | S138 F139 | P136-S138 VanDerWaalsContact C-N 3.29Å; P136-S138 PolarHBondContact O-N 3.04Å; P136-F139 HydrophobicContact CB-CD2 4.2Å; P136-F139 HydrophobicContact CB-CE2 3.5Å; P136-F139 HydrophobicContact CB-CZ 3.85Å; P136-F139 HydrophobicContact CG-CE2 3.55Å; P136-F139 HydrophobicContact CG-CZ 3.94Å | ||
| 137 | P | 47.6 | Very low | 62.6 | Low | 120 Ų | 120 | 91.2 Ų | 91.2 | 78% | 0.779 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 45.4 | -163.1 | 34.8 | -38.6 | 0 | 0 | 0 | 115.3 | ||
| 138 | S | 52.9 | Low | 65.5 | Low | 103 Ų | 103 | 81.8 Ų | 81.8 | 72% | 0.72 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -162.6 | 16.7 | 169.6 | 57.2 | 0 | 0 | 0 | 0 | 116.8 | P136 N140 | P136-S138 VanDerWaalsContact C-N 3.29Å; P136-S138 PolarHBondContact O-N 3.04Å; S138-N140 PolarHBondContact O-N 2.76Å |
| 139 | F | 62.3 | Low | 68.4 | Low | 61 Ų | 61 | 77.7 Ų | 77.7 | 27% | 0.268 | 40% | 0.401 | S | S | . | . | trans | -67.1 | 128.8 | 171.8 | -60.5 | -54.4 | 0 | 0 | 0 | 111.5 | P136 F266 F277 P279 | P136-F139 HydrophobicContact CB-CD2 4.2Å; P136-F139 HydrophobicContact CB-CE2 3.5Å; P136-F139 HydrophobicContact CB-CZ 3.85Å; P136-F139 HydrophobicContact CG-CE2 3.55Å; P136-F139 HydrophobicContact CG-CZ 3.94Å; F139-F266 HydrophobicContact CD2-CD1 4.28Å; F139-F266 AromaticContact CD2-CE1 3.48Å; F139-F266 HydrophobicContact CD2-CE1 3.48Å; F139-F266 VanDerWaalsContact CD2-CE1 3.48Å; F139-F266 HydrophobicContact CD2-CZ 4.32Å; F139-F266 AromaticContact CE2-CD1 3.95Å; F139-F266 HydrophobicContact CE2-CD1 3.95Å; F139-F266 AromaticContact CE2-CE1 3.61Å; F139-F266 HydrophobicContact CE2-CE1 3.61Å; F139-F266 HydrophobicContact CG-CE1 4.04Å; F139-F266 HydrophobicContact CZ-CE1 4.33Å; F139-F277 WeakPolarHBondContact CZ-O 3.1Å; F139-P279 HydrophobicContact CD1-CG 4.41Å | ||
| 140 | N | 77 | Confident | 71.1 | Confident | 90 Ų | 90 | 76.5 Ų | 76.5 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | trans | -123.6 | 108.6 | 169.9 | 175.9 | -8.9 | 0 | 0 | 0 | 105.3 | S138 D142 Y143 | S138-N140 PolarHBondContact O-N 2.76Å; N140-D142 PolarHBondContact O-N 3.26Å; N140-D142 WeakPolarHBondContact OD1-CB 3.34Å; N140-D142 PolarHBondContact OD1-N 3.04Å; N140-Y143 VanDerWaalsContact O-CB 3.26Å; N140-Y143 WeakPolarHBondContact O-CB 3.38Å; N140-Y143 PolarHBondContact O-N 3.33Å | ||
| 141 | L | 85.4 | Confident | 73.8 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.3 | -25.8 | -172.3 | -67.4 | 177.1 | 0 | 0 | 0 | 112.4 | Y143 K144 I145 E224 V233 L235 F264 F266 P279 | L141-Y143 PolarHBondContact O-N 2.9Å; L141-K144 PolarHBondContact O-N 3.36Å; L141-I145 PolarHBondContact O-N 3.23Å; L141-E224 WeakPolarHBondContact CB-OE1 3.12Å; L141-E224 HydrophobicContact CD1-CG 4.26Å; L141-E224 PolarHBondContact N-OE1 3.34Å; L141-E224 VanDerWaalsContact N-OE1 3.08Å; L141-V233 HydrophobicContact CD1-CB 3.92Å; L141-V233 HydrophobicContact CD1-CG1 3.46Å; L141-V233 VanDerWaalsContact CD1-CG1 3.46Å; L141-L235 HydrophobicContact CB-CD1 3.69Å; L141-L235 HydrophobicContact CD1-CB 4.33Å; L141-F264 HydrophobicContact CB-CD2 4.42Å; L141-F264 HydrophobicContact CB-CE2 4.11Å; L141-F264 HydrophobicContact CB-CZ 4.46Å; L141-F264 HydrophobicContact CD1-CD2 3.71Å; L141-F264 HydrophobicContact CD1-CE2 4.17Å; L141-F264 HydrophobicContact CD1-CG 4.27Å; L141-F264 HydrophobicContact CD2-CB 4.08Å; L141-F264 HydrophobicContact CD2-CD1 3.99Å; L141-F264 HydrophobicContact CD2-CD2 3.86Å; L141-F264 HydrophobicContact CD2-CE1 4.34Å; L141-F264 HydrophobicContact CD2-CE2 4.22Å; L141-F264 HydrophobicContact CD2-CG 3.71Å; L141-F264 HydrophobicContact CD2-CZ 4.45Å; L141-F264 HydrophobicContact CG-CD2 4.21Å; L141-F264 HydrophobicContact CG-CE2 4.41Å; L141-F266 HydrophobicContact CD2-CZ 4.46Å; L141-P279 HydrophobicContact CD2-CB 3.94Å; L141-P279 HydrophobicContact CD2-CG 4.31Å |
| 142 | D | 86.3 | Confident | 76.1 | Confident | 39 Ų | 39 | 66.7 Ų | 66.7 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.5 | -30.5 | 169.1 | -71.2 | -60 | 0 | 0 | 0 | 112.3 | N140 K144 I145 F146 T219 T222 | N140-D142 PolarHBondContact O-N 3.26Å; N140-D142 WeakPolarHBondContact OD1-CB 3.34Å; N140-D142 PolarHBondContact OD1-N 3.04Å; D142-K144 VanDerWaalsContact C-N 3.3Å; D142-K144 PolarHBondContact O-N 3.39Å; D142-I145 PolarHBondContact O-N 3.45Å; D142-F146 WeakPolarHBondContact O-CB 3.45Å; D142-F146 PolarHBondContact O-N 3.48Å; D142-T219 WeakPolarHBondContact OD1-CB 3.32Å; D142-T219 PolarHBondContact OD1-OG1 3.06Å; D142-T222 WeakPolarHBondContact OD1-CG2 2.99Å; D142-T222 WeakPolarHBondContact OD2-CB 3.36Å; D142-T222 PolarHBondContact OD2-OG1 3.04Å |
| 143 | Y | 89.5 | Confident | 78.4 | Confident | 125 Ų | 125 | 70.3 Ų | 70.3 | 49% | 0.49 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67 | -31.5 | 173.9 | -174.4 | -95.2 | 0 | 0 | 0 | 112.1 | N140 L141 F146 E147 | N140-Y143 VanDerWaalsContact O-CB 3.26Å; N140-Y143 WeakPolarHBondContact O-CB 3.38Å; N140-Y143 PolarHBondContact O-N 3.33Å; L141-Y143 PolarHBondContact O-N 2.9Å; Y143-F146 HydrophobicContact CD2-CD1 4.07Å; Y143-F146 AromaticContact CE2-CD1 3.91Å; Y143-F146 HydrophobicContact CE2-CD1 3.91Å; Y143-F146 HydrophobicContact CE2-CE1 4.27Å; Y143-F146 PolarHBondContact O-N 2.97Å; Y143-E147 WeakPolarHBondContact O-CB 3.28Å; Y143-E147 PolarHBondContact O-N 3.05Å |
| 144 | K | 91.7 | Very high | 80.7 | Confident | 14 Ų | 14 | 62.8 Ų | 62.8 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.2 | -35.1 | 175.7 | -167.5 | 59.3 | 177.9 | 170.6 | 0 | 111.9 | L141 D142 E147 M148 E172 F173 F264 P279 | L141-K144 PolarHBondContact O-N 3.36Å; D142-K144 VanDerWaalsContact C-N 3.3Å; D142-K144 PolarHBondContact O-N 3.39Å; K144-E147 WeakPolarHBondContact CD-OE2 3.16Å; K144-E147 WeakPolarHBondContact CE-OE2 3.48Å; K144-E147 IonicContact NZ-OE2 2.74Å; K144-E147 PolarHBondContact NZ-OE2 3.41Å; K144-E147 PolarHBondContact O-N 3.48Å; K144-M148 PolarHBondContact O-N 3.38Å; K144-E172 PolarHBondContact NZ-O 3.12Å; K144-E172 VanDerWaalsContact NZ-O 3.15Å; K144-F173 HydrophobicContact CD-CD1 4.17Å; K144-F173 HydrophobicContact CD-CE1 4.12Å; K144-F264 HydrophobicContact CB-CE1 4.08Å; K144-F264 HydrophobicContact CG-CE1 3.82Å; K144-P279 VanDerWaalsContact CE-O 3.27Å; K144-P279 WeakPolarHBondContact CE-O 3.47Å; K144-P279 HydrophobicContact CG-CG 4.48Å |
| 145 | I | 93.9 | Very high | 82.3 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 170 | -57 | -60.7 | 0 | 0 | 0 | 111.1 | L141 D142 M148 N149 T219 F264 I281 W284 | L141-I145 PolarHBondContact O-N 3.23Å; D142-I145 PolarHBondContact O-N 3.45Å; I145-M148 WeakPolarHBondContact O-CB 3.45Å; I145-M148 PolarHBondContact O-N 3.18Å; I145-N149 VanDerWaalsContact O-CG 3.3Å; I145-N149 PolarHBondContact O-N 2.89Å; I145-N149 PolarHBondContact O-ND2 2.96Å; I145-T219 HydrophobicContact CG2-CG2 4.3Å; I145-F264 HydrophobicContact CD1-CZ 4.09Å; I145-I281 HydrophobicContact CD1-CD1 4.42Å; I145-W284 HydrophobicContact CD1-CH2 4.39Å; I145-W284 HydrophobicContact CD1-CZ3 3.87Å |
| 146 | F | 93.1 | Very high | 83.7 | Confident | 119 Ų | 119 | 62.1 Ų | 62.1 | 52% | 0.522 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 174.2 | 173.8 | -96.3 | 0 | 0 | 0 | 112.7 | D142 Y143 N149 R150 | D142-F146 WeakPolarHBondContact O-CB 3.45Å; D142-F146 PolarHBondContact O-N 3.48Å; Y143-F146 HydrophobicContact CD2-CD1 4.07Å; Y143-F146 AromaticContact CE2-CD1 3.91Å; Y143-F146 HydrophobicContact CE2-CD1 3.91Å; Y143-F146 HydrophobicContact CE2-CE1 4.27Å; Y143-F146 PolarHBondContact O-N 2.97Å; F146-N149 PolarHBondContact O-N 3.34Å; F146-R150 PolarHBondContact O-N 3.23Å |
| 147 | E | 94.1 | Very high | 84.9 | Confident | 63 Ų | 63 | 66 Ų | 66 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 173.9 | -173.5 | 178.5 | -115.6 | 0 | 0 | 111.3 | Y143 K144 N149 R150 R151 F173 | Y143-E147 WeakPolarHBondContact O-CB 3.28Å; Y143-E147 PolarHBondContact O-N 3.05Å; K144-E147 WeakPolarHBondContact CD-OE2 3.16Å; K144-E147 WeakPolarHBondContact CE-OE2 3.48Å; K144-E147 IonicContact NZ-OE2 2.74Å; K144-E147 PolarHBondContact NZ-OE2 3.41Å; K144-E147 PolarHBondContact O-N 3.48Å; E147-N149 PolarHBondContact O-N 3.1Å; E147-R150 WeakPolarHBondContact O-CB 3.5Å; E147-R150 PolarHBondContact O-N 2.98Å; E147-R151 PolarHBondContact O-N 2.93Å; E147-F173 HydrophobicContact CB-CE1 4.14Å; E147-F173 HydrophobicContact CG-CE1 3.98Å; E147-F173 HydrophobicContact CG-CZ 4Å |
| 148 | M | 95.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60 | -44.6 | 174.7 | -168.5 | -170.3 | 67.8 | 0 | 0 | 112.1 | K144 I145 R150 R151 L152 F169 F173 Y217 W284 | K144-M148 PolarHBondContact O-N 3.38Å; I145-M148 WeakPolarHBondContact O-CB 3.45Å; I145-M148 PolarHBondContact O-N 3.18Å; M148-R150 PolarHBondContact O-N 3.23Å; M148-R151 PolarHBondContact O-N 2.8Å; M148-L152 WeakPolarHBondContact O-CG 3.49Å; M148-L152 PolarHBondContact O-N 3.34Å; M148-F169 HydrophobicContact CG-CE2 3.77Å; M148-F169 HydrophobicContact CG-CZ 3.73Å; M148-F169 HydrophobicContact SD-CZ 4.21Å; M148-F173 VanDerWaalsContact CA-CE1 3.44Å; M148-F173 HydrophobicContact CB-CD1 3.63Å; M148-F173 HydrophobicContact CB-CE1 3.65Å; M148-F173 HydrophobicContact CB-CG 4.12Å; M148-F173 HydrophobicContact CB-CZ 4.14Å; M148-F173 HydrophobicContact CG-CD1 3.93Å; M148-F173 HydrophobicContact CG-CD2 4.12Å; M148-F173 HydrophobicContact CG-CE1 4.28Å; M148-F173 HydrophobicContact CG-CE2 4.47Å; M148-F173 HydrophobicContact CG-CG 3.88Å; M148-F173 VanDerWaalsContact N-CE1 3.35Å; M148-Y217 HydrophobicContact CE-CD2 3.5Å; M148-Y217 HydrophobicContact CE-CE2 3.82Å; M148-Y217 HydrophobicContact CE-CG 4.44Å; M148-W284 HydrophobicContact CE-CH2 3.65Å; M148-W284 HydrophobicContact CE-CZ3 3.82Å; M148-W284 HydrophobicContact SD-CH2 4.44Å; M148-W284 HydrophobicContact SD-CZ3 4.06Å |
| 149 | N | 96.9 | Very high | 88 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60 | -45.4 | 174.8 | -67.9 | -25.4 | 0 | 0 | 0 | 111.7 | I145 F146 E147 R151 L152 Q153 Y216 Y217 | I145-N149 VanDerWaalsContact O-CG 3.3Å; I145-N149 PolarHBondContact O-N 2.89Å; I145-N149 PolarHBondContact O-ND2 2.96Å; F146-N149 PolarHBondContact O-N 3.34Å; E147-N149 PolarHBondContact O-N 3.1Å; N149-R151 VanDerWaalsContact C-N 3.28Å; N149-R151 PolarHBondContact O-N 3.08Å; N149-L152 PolarHBondContact O-N 3.22Å; N149-Q153 PolarHBondContact O-N 3.49Å; N149-Q153 VanDerWaalsContact O-N 3.1Å; N149-Y216 WeakPolarHBondContact OD1-CA 3.42Å; N149-Y217 PolarHBondContact ND2-O 2.9Å; N149-Y217 PolarHBondContact OD1-N 3.49Å |
| 150 | R | 96.4 | Very high | 89 | Confident | 140 Ų | 140 | 67 Ų | 67 | 53% | 0.528 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.4 | -37.2 | 176.7 | -175.1 | -176.8 | -179.8 | -158.8 | -0.9 | 111.7 | F146 E147 M148 Q153 Q154 | F146-R150 PolarHBondContact O-N 3.23Å; E147-R150 WeakPolarHBondContact O-CB 3.5Å; E147-R150 PolarHBondContact O-N 2.98Å; M148-R150 PolarHBondContact O-N 3.23Å; R150-Q153 PolarHBondContact O-N 3.33Å; R150-Q154 WeakPolarHBondContact O-CG 3.38Å; R150-Q154 PolarHBondContact O-N 3.45Å |
| 151 | R | 95.6 | Very high | 89.4 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 18% | 0.177 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 175.8 | -165.3 | 77.2 | 170.6 | 74.9 | 19.5 | 111.9 | E147 M148 N149 Q153 Q154 W165 F169 E172 F173 | E147-R151 PolarHBondContact O-N 2.93Å; M148-R151 PolarHBondContact O-N 2.8Å; N149-R151 VanDerWaalsContact C-N 3.28Å; N149-R151 PolarHBondContact O-N 3.08Å; R151-Q153 VanDerWaalsContact C-N 3.3Å; R151-Q153 PolarHBondContact O-N 2.91Å; R151-Q154 CarbonylContact O-C 3.59Å; R151-Q154 WeakPolarHBondContact O-CA 3.26Å; R151-Q154 WeakPolarHBondContact O-CB 3.46Å; R151-Q154 PolarHBondContact O-N 2.97Å; R151-W165 HydrophobicContact CG-CH2 4.46Å; R151-W165 HydrophobicContact CG-CZ2 4.38Å; R151-W165 VanDerWaalsContact NH1-NE1 3.15Å; R151-W165 VanDerWaalsContact O-CZ2 3.32Å; R151-W165 WeakPolarHBondContact O-CZ2 3.3Å; R151-F169 HydrophobicContact CB-CD2 4.32Å; R151-F169 HydrophobicContact CB-CE2 4.42Å; R151-F169 HydrophobicContact CG-CD2 3.86Å; R151-F169 HydrophobicContact CG-CE2 4.45Å; R151-E172 WeakPolarHBondContact CD-OE2 3.43Å; R151-E172 IonicContact CZ-OE2 2.63Å; R151-E172 IonicContact NE-OE1 2.78Å; R151-E172 IonicContact NE-OE2 3.71Å; R151-E172 PolarHBondContact NE-OE2 2.83Å; R151-E172 IonicContact NH2-OE2 3.96Å; R151-F173 HydrophobicContact CB-CE2 3.81Å; R151-F173 HydrophobicContact CB-CZ 3.99Å; R151-F173 HydrophobicContact CG-CE2 3.88Å; R151-F173 HydrophobicContact CG-CZ 4.43Å |
| 152 | L | 96 | Very high | 89.6 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62 | -34.2 | 175.3 | -72.6 | 168.3 | 0 | 0 | 0 | 112.9 | M148 N149 Q154 R155 W166 F169 F208 L215 | M148-L152 WeakPolarHBondContact O-CG 3.49Å; M148-L152 PolarHBondContact O-N 3.34Å; N149-L152 PolarHBondContact O-N 3.22Å; L152-Q154 PolarHBondContact O-N 2.86Å; L152-R155 PolarHBondContact O-N 2.81Å; L152-W166 HydrophobicContact CD2-CH2 4.07Å; L152-W166 HydrophobicContact CD2-CZ3 4.01Å; L152-F169 HydrophobicContact CD1-CZ 4.5Å; L152-F169 HydrophobicContact CD2-CE1 4.49Å; L152-F169 HydrophobicContact CD2-CE2 3.81Å; L152-F169 HydrophobicContact CD2-CZ 3.8Å; L152-F169 HydrophobicContact CG-CE2 3.86Å; L152-F169 HydrophobicContact CG-CZ 4.08Å; L152-F208 HydrophobicContact CD2-CE2 4.32Å; L152-F208 HydrophobicContact CD2-CZ 4.41Å; L152-L215 HydrophobicContact CD1-CD2 4.11Å; L152-L215 HydrophobicContact CD1-CG 4.16Å |
| 153 | Q | 92.5 | Very high | 89.7 | Confident | 117 Ų | 117 | 68.1 Ų | 68.1 | 55% | 0.547 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -16 | 171.6 | -70.8 | 176 | -25.5 | 0 | 0 | 113.6 | N149 R150 R151 E214 | N149-Q153 PolarHBondContact O-N 3.49Å; N149-Q153 VanDerWaalsContact O-N 3.1Å; R150-Q153 PolarHBondContact O-N 3.33Å; R151-Q153 VanDerWaalsContact C-N 3.3Å; R151-Q153 PolarHBondContact O-N 2.91Å; Q153-E214 PolarHBondContact NE2-OE1 3.3Å |
| 154 | Q | 91 | Very high | 89.9 | Confident | 105 Ų | 105 | 68 Ų | 68 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 29.9 | 177.9 | -63.4 | 174.7 | -7.4 | 0 | 0 | 111.9 | R150 R151 L152 W165 | R150-Q154 WeakPolarHBondContact O-CG 3.38Å; R150-Q154 PolarHBondContact O-N 3.45Å; R151-Q154 CarbonylContact O-C 3.59Å; R151-Q154 WeakPolarHBondContact O-CA 3.26Å; R151-Q154 WeakPolarHBondContact O-CB 3.46Å; R151-Q154 PolarHBondContact O-N 2.97Å; L152-Q154 PolarHBondContact O-N 2.86Å; Q154-W165 VanDerWaalsContact O-CZ2 3.28Å; Q154-W165 WeakPolarHBondContact O-CZ2 3.12Å; Q154-W165 PolarHBondContact O-NE1 2.81Å; Q154-W165 VanDerWaalsContact O-NE1 3.1Å |
| 155 | R | 88.1 | Confident | 90.1 | Very high | 49 Ų | 49 | 68.9 Ų | 68.9 | 19% | 0.185 | 35% | 0.348 | C | S | . | . | trans | -57.2 | 136.9 | 174 | -170.1 | -173.9 | 65.5 | -109.2 | -2.5 | 110.4 | L152 D157 W165 W166 I213 | L152-R155 PolarHBondContact O-N 2.81Å; R155-D157 IonicContact CZ-OD1 3.75Å; R155-D157 IonicContact NE-OD1 2.86Å; R155-D157 PolarHBondContact NE-OD1 2.94Å; R155-D157 IonicContact NH2-OD1 3.57Å; R155-D157 PolarHBondContact NH2-OD1 2.97Å; R155-D157 IonicContact NH2-OD2 2.76Å; R155-W165 VanDerWaalsContact CA-CZ2 3.4Å; R155-W165 HydrophobicContact CB-CH2 4.37Å; R155-W165 HydrophobicContact CB-CZ2 4.3Å; R155-W166 HydrophobicContact CG-CZ2 4.1Å; R155-I213 PolarHBondContact NH1-O 3.35Å | ||
| 156 | S | 80.6 | Confident | 90.1 | Very high | 40 Ų | 40 | 69.2 Ų | 69.2 | 28% | 0.28 | 35% | 0.349 | S | S | . | . | trans | -79.9 | 124.7 | 164.6 | -167.6 | 0 | 0 | 0 | 0 | 109.6 | D158 | S156-D158 VanDerWaalsContact C-N 3.28Å; S156-D158 WeakPolarHBondContact OG-CB 3.46Å; S156-D158 PolarHBondContact OG-N 3.11Å | ||
| 157 | D | 77 | Confident | 90.2 | Very high | 125 Ų | 125 | 66.8 Ų | 66.8 | 67% | 0.668 | 34% | 0.341 | S | S | * | . | trans | -86.8 | 0.8 | 171.5 | -68.8 | -37.5 | 0 | 0 | 0 | 112.8 | R155 P159 | R155-D157 IonicContact CZ-OD1 3.75Å; R155-D157 IonicContact NE-OD1 2.86Å; R155-D157 PolarHBondContact NE-OD1 2.94Å; R155-D157 IonicContact NH2-OD1 3.57Å; R155-D157 PolarHBondContact NH2-OD1 2.97Å; R155-D157 IonicContact NH2-OD2 2.76Å; D157-P159 WeakPolarHBondContact O-CD 3.26Å | ||
| 158 | D | 84 | Confident | 90.2 | Very high | 59 Ų | 59 | 66 Ų | 66 | 32% | 0.316 | 35% | 0.345 | S | S | . | . | trans | -69.8 | 114.5 | 171.6 | 175 | 8.6 | 0 | 0 | 0 | 110.6 | S156 D160 N161 A162 | S156-D158 VanDerWaalsContact C-N 3.28Å; S156-D158 WeakPolarHBondContact OG-CB 3.46Å; S156-D158 PolarHBondContact OG-N 3.11Å; D158-D160 VanDerWaalsContact C-N 3.31Å; D158-D160 PolarHBondContact O-N 3.5Å; D158-D160 PolarHBondContact OD1-N 3.31Å; D158-D160 VanDerWaalsContact OD1-N 3.14Å; D158-N161 PolarHBondContact OD2-ND2 3.24Å; D158-A162 WeakPolarHBondContact O-CB 3.45Å; D158-A162 PolarHBondContact O-N 3.36Å | ||
| 159 | P | 81.3 | Confident | 90.2 | Very high | 99 Ų | 99 | 66 Ų | 66 | 64% | 0.643 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -30 | -174.9 | 28.1 | -35.7 | 0 | 0 | 0 | 113.4 | D157 A162 | D157-P159 WeakPolarHBondContact O-CD 3.26Å; P159-A162 WeakPolarHBondContact O-CB 3.44Å; P159-A162 PolarHBondContact O-N 2.84Å |
| 160 | D | 83.2 | Confident | 90.2 | Very high | 146 Ų | 146 | 65 Ų | 65 | 78% | 0.781 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -40.2 | -175.4 | -67.5 | -19.3 | 0 | 0 | 0 | 110.6 | D158 | D158-D160 VanDerWaalsContact C-N 3.31Å; D158-D160 PolarHBondContact O-N 3.5Å; D158-D160 PolarHBondContact OD1-N 3.31Å; D158-D160 VanDerWaalsContact OD1-N 3.14Å |
| 161 | N | 85.9 | Confident | 90.1 | Very high | 86 Ų | 86 | 61 Ų | 61 | 46% | 0.46 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -5.8 | 177.4 | -73.2 | -58.7 | 0 | 0 | 0 | 114.1 | D158 S163 L164 W165 | D158-N161 PolarHBondContact OD2-ND2 3.24Å; N161-S163 PolarHBondContact O-N 3.32Å; N161-L164 PolarHBondContact O-N 2.97Å; N161-W165 PolarHBondContact O-N 2.9Å |
| 162 | A | 88.6 | Confident | 89.9 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 8% | 0.083 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.5 | -43 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D158 P159 W165 W166 | D158-A162 WeakPolarHBondContact O-CB 3.45Å; D158-A162 PolarHBondContact O-N 3.36Å; P159-A162 WeakPolarHBondContact O-CB 3.44Å; P159-A162 PolarHBondContact O-N 2.84Å; A162-W165 PolarHBondContact O-N 3.38Å; A162-W166 PolarHBondContact O-N 3.19Å |
| 163 | S | 89.6 | Confident | 89.9 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 43% | 0.427 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63 | -49.1 | -179 | -161.2 | 0 | 0 | 0 | 0 | 111.6 | N161 W165 W166 D167 | N161-S163 PolarHBondContact O-N 3.32Å; S163-W165 VanDerWaalsContact C-N 3.28Å; S163-W165 PolarHBondContact O-N 2.9Å; S163-W166 PolarHBondContact O-N 3.34Å; S163-W166 VanDerWaalsContact O-N 3.11Å; S163-D167 PolarHBondContact O-N 3.49Å; S163-D167 VanDerWaalsContact O-OD2 3.13Å |
| 164 | L | 92.8 | Very high | 90.1 | Very high | 124 Ų | 124 | 56.1 Ų | 56.1 | 65% | 0.649 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.3 | -37 | 180 | -176.4 | 63 | 0 | 0 | 0 | 111.7 | N161 D167 A168 | N161-L164 PolarHBondContact O-N 2.97Å; L164-D167 PolarHBondContact O-N 2.6Å; L164-A168 VanDerWaalsContact O-CB 3.28Å; L164-A168 WeakPolarHBondContact O-CB 3.48Å; L164-A168 PolarHBondContact O-N 3.33Å |
| 165 | W | 95.2 | Very high | 90.3 | Very high | 32 Ų | 32 | 51.5 Ų | 51.5 | 12% | 0.121 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 174 | -170.6 | 108.5 | 0 | 0 | 0 | 111.7 | R151 Q154 R155 N161 A162 S163 A168 F169 | R151-W165 HydrophobicContact CG-CH2 4.46Å; R151-W165 HydrophobicContact CG-CZ2 4.38Å; R151-W165 VanDerWaalsContact NH1-NE1 3.15Å; R151-W165 VanDerWaalsContact O-CZ2 3.32Å; R151-W165 WeakPolarHBondContact O-CZ2 3.3Å; Q154-W165 VanDerWaalsContact O-CZ2 3.28Å; Q154-W165 WeakPolarHBondContact O-CZ2 3.12Å; Q154-W165 PolarHBondContact O-NE1 2.81Å; Q154-W165 VanDerWaalsContact O-NE1 3.1Å; R155-W165 VanDerWaalsContact CA-CZ2 3.4Å; R155-W165 HydrophobicContact CB-CH2 4.37Å; R155-W165 HydrophobicContact CB-CZ2 4.3Å; N161-W165 PolarHBondContact O-N 2.9Å; A162-W165 PolarHBondContact O-N 3.38Å; S163-W165 VanDerWaalsContact C-N 3.28Å; S163-W165 PolarHBondContact O-N 2.9Å; W165-A168 PolarHBondContact O-N 2.8Å; W165-F169 HydrophobicContact CE3-CB 4.11Å; W165-F169 HydrophobicContact CH2-CB 4.27Å; W165-F169 HydrophobicContact CH2-CD2 4.09Å; W165-F169 HydrophobicContact CH2-CG 4.35Å; W165-F169 HydrophobicContact CZ3-CB 3.76Å; W165-F169 HydrophobicContact CZ3-CD2 4.19Å; W165-F169 HydrophobicContact CZ3-CG 4Å; W165-F169 WeakPolarHBondContact O-CB 3.43Å; W165-F169 PolarHBondContact O-N 2.83Å |
| 166 | W | 95.5 | Very high | 90.5 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 3% | 0.034 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 178.3 | -76.7 | 116.7 | 0 | 0 | 0 | 112.9 | L152 R155 A162 S163 F169 A170 P201 F204 R205 F208 | L152-W166 HydrophobicContact CD2-CH2 4.07Å; L152-W166 HydrophobicContact CD2-CZ3 4.01Å; R155-W166 HydrophobicContact CG-CZ2 4.1Å; A162-W166 PolarHBondContact O-N 3.19Å; S163-W166 PolarHBondContact O-N 3.34Å; S163-W166 VanDerWaalsContact O-N 3.11Å; W166-F169 HydrophobicContact CE3-CD1 4.04Å; W166-F169 HydrophobicContact CE3-CG 4.44Å; W166-F169 HydrophobicContact CZ3-CD1 4.11Å; W166-F169 HydrophobicContact CZ3-CE1 4.37Å; W166-F169 HydrophobicContact CZ3-CG 4.46Å; W166-A170 WeakPolarHBondContact O-CB 3.34Å; W166-A170 PolarHBondContact O-N 2.92Å; W166-P201 HydrophobicContact CB-CB 3.92Å; W166-F204 HydrophobicContact CE3-CB 3.78Å; W166-F204 HydrophobicContact CH2-CB 3.94Å; W166-F204 HydrophobicContact CZ3-CB 3.32Å; W166-F204 HydrophobicContact CZ3-CG 4.26Å; W166-R205 HydrophobicContact CD2-CB 4.18Å; W166-R205 HydrophobicContact CG-CB 4.24Å; W166-F208 AromaticContact CH2-CD2 3.66Å; W166-F208 HydrophobicContact CH2-CD2 3.66Å; W166-F208 AromaticContact CH2-CE2 3.43Å; W166-F208 HydrophobicContact CH2-CE2 3.43Å; W166-F208 VanDerWaalsContact CH2-CE2 3.43Å; W166-F208 HydrophobicContact CH2-CZ 4.47Å; W166-F208 AromaticContact CZ2-CD2 3.63Å; W166-F208 HydrophobicContact CZ2-CD2 3.63Å; W166-F208 AromaticContact CZ2-CE2 3.91Å; W166-F208 HydrophobicContact CZ2-CE2 3.91Å |
| 167 | D | 94.6 | Very high | 91.1 | Very high | 68 Ų | 68 | 56.6 Ų | 56.6 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.2 | -40 | 175.8 | -70 | -44.2 | 0 | 0 | 0 | 111.6 | S163 L164 A170 S171 P201 | S163-D167 PolarHBondContact O-N 3.49Å; S163-D167 VanDerWaalsContact O-OD2 3.13Å; L164-D167 PolarHBondContact O-N 2.6Å; D167-A170 PolarHBondContact O-N 2.68Å; D167-S171 PolarHBondContact O-N 3.08Å; D167-S171 PolarHBondContact O-OG 2.58Å; D167-P201 WeakPolarHBondContact OD1-CG 3.42Å |
| 168 | A | 94.7 | Very high | 92.1 | Very high | 46 Ų | 46 | 50.7 Ų | 50.7 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L164 W165 A170 S171 E172 | L164-A168 VanDerWaalsContact O-CB 3.28Å; L164-A168 WeakPolarHBondContact O-CB 3.48Å; L164-A168 PolarHBondContact O-N 3.33Å; W165-A168 PolarHBondContact O-N 2.8Å; A168-A170 VanDerWaalsContact C-N 3.32Å; A168-A170 PolarHBondContact O-N 2.91Å; A168-S171 PolarHBondContact O-N 2.57Å; A168-S171 VanDerWaalsContact O-N 3.16Å; A168-E172 WeakPolarHBondContact O-CB 3.44Å; A168-E172 PolarHBondContact O-N 2.83Å |
| 169 | F | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.2 | -48.3 | 172.9 | 167.3 | -93 | 0 | 0 | 0 | 111.2 | M148 R151 L152 W165 W166 S171 E172 F173 F174 F204 | M148-F169 HydrophobicContact CG-CE2 3.77Å; M148-F169 HydrophobicContact CG-CZ 3.73Å; M148-F169 HydrophobicContact SD-CZ 4.21Å; R151-F169 HydrophobicContact CB-CD2 4.32Å; R151-F169 HydrophobicContact CB-CE2 4.42Å; R151-F169 HydrophobicContact CG-CD2 3.86Å; R151-F169 HydrophobicContact CG-CE2 4.45Å; L152-F169 HydrophobicContact CD1-CZ 4.5Å; L152-F169 HydrophobicContact CD2-CE1 4.49Å; L152-F169 HydrophobicContact CD2-CE2 3.81Å; L152-F169 HydrophobicContact CD2-CZ 3.8Å; L152-F169 HydrophobicContact CG-CE2 3.86Å; L152-F169 HydrophobicContact CG-CZ 4.08Å; W165-F169 HydrophobicContact CE3-CB 4.11Å; W165-F169 HydrophobicContact CH2-CB 4.27Å; W165-F169 HydrophobicContact CH2-CD2 4.09Å; W165-F169 HydrophobicContact CH2-CG 4.35Å; W165-F169 HydrophobicContact CZ3-CB 3.76Å; W165-F169 HydrophobicContact CZ3-CD2 4.19Å; W165-F169 HydrophobicContact CZ3-CG 4Å; W165-F169 WeakPolarHBondContact O-CB 3.43Å; W165-F169 PolarHBondContact O-N 2.83Å; W166-F169 HydrophobicContact CE3-CD1 4.04Å; W166-F169 HydrophobicContact CE3-CG 4.44Å; W166-F169 HydrophobicContact CZ3-CD1 4.11Å; W166-F169 HydrophobicContact CZ3-CE1 4.37Å; W166-F169 HydrophobicContact CZ3-CG 4.46Å; F169-S171 VanDerWaalsContact C-N 3.3Å; F169-S171 PolarHBondContact O-N 2.86Å; F169-E172 PolarHBondContact O-N 2.97Å; F169-F173 AromaticContact CD2-CD2 3.8Å; F169-F173 HydrophobicContact CD2-CD2 3.8Å; F169-F173 AromaticContact CD2-CE2 3.96Å; F169-F173 HydrophobicContact CD2-CE2 3.96Å; F169-F173 AromaticContact CE2-CD2 3.7Å; F169-F173 HydrophobicContact CE2-CD2 3.7Å; F169-F173 AromaticContact CE2-CE2 3.98Å; F169-F173 HydrophobicContact CE2-CE2 3.98Å; F169-F173 HydrophobicContact CG-CD2 4.45Å; F169-F173 HydrophobicContact CZ-CD2 4.27Å; F169-F173 WeakPolarHBondContact O-CD2 3.49Å; F169-F173 PolarHBondContact O-N 3.47Å; F169-F174 HydrophobicContact CE1-CE2 4.29Å; F169-F204 HydrophobicContact CD1-CD2 4.49Å; F169-F204 AromaticContact CE1-CD2 3.66Å; F169-F204 HydrophobicContact CE1-CD2 3.66Å; F169-F204 AromaticContact CE1-CE2 3.83Å; F169-F204 HydrophobicContact CE1-CE2 3.83Å; F169-F204 HydrophobicContact CE1-CG 4.07Å; F169-F204 HydrophobicContact CE1-CZ 4.37Å; F169-F204 HydrophobicContact CZ-CD2 4.5Å; F169-F204 HydrophobicContact CZ-CE2 4.43Å |
| 170 | A | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.6 | -32.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | W166 D167 A168 F174 R197 P201 | W166-A170 WeakPolarHBondContact O-CB 3.34Å; W166-A170 PolarHBondContact O-N 2.92Å; D167-A170 PolarHBondContact O-N 2.68Å; A168-A170 VanDerWaalsContact C-N 3.32Å; A168-A170 PolarHBondContact O-N 2.91Å; A170-F174 WeakPolarHBondContact O-CA 3.05Å; A170-F174 VanDerWaalsContact O-CB 3.31Å; A170-F174 WeakPolarHBondContact O-CB 3.37Å; A170-F174 PolarHBondContact O-N 3.28Å; A170-R197 VanDerWaalsContact CB-CZ 3.43Å; A170-P201 HydrophobicContact CB-CG 3.71Å |
| 171 | S | 93.5 | Very high | 94.2 | Very high | 54 Ų | 54 | 38.9 Ų | 38.9 | 38% | 0.378 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -71.4 | -28 | 175.5 | -59.7 | 0 | 0 | 0 | 0 | 113.8 | D167 A168 F169 R197 | D167-S171 PolarHBondContact O-N 3.08Å; D167-S171 PolarHBondContact O-OG 2.58Å; A168-S171 PolarHBondContact O-N 2.57Å; A168-S171 VanDerWaalsContact O-N 3.16Å; F169-S171 VanDerWaalsContact C-N 3.3Å; F169-S171 PolarHBondContact O-N 2.86Å; S171-R197 VanDerWaalsContact N-NH2 3.14Å; S171-R197 PolarHBondContact OG-NH2 2.63Å |
| 172 | E | 93.3 | Very high | 94.8 | Very high | 65 Ų | 65 | 34.9 Ų | 34.9 | 30% | 0.304 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -77.1 | -29.9 | -179.7 | -171.7 | -176.2 | 157.6 | 0 | 0 | 113 | K144 R151 A168 F169 | K144-E172 PolarHBondContact NZ-O 3.12Å; K144-E172 VanDerWaalsContact NZ-O 3.15Å; R151-E172 WeakPolarHBondContact CD-OE2 3.43Å; R151-E172 IonicContact CZ-OE2 2.63Å; R151-E172 IonicContact NE-OE1 2.78Å; R151-E172 IonicContact NE-OE2 3.71Å; R151-E172 PolarHBondContact NE-OE2 2.83Å; R151-E172 IonicContact NH2-OE2 3.96Å; A168-E172 WeakPolarHBondContact O-CB 3.44Å; A168-E172 PolarHBondContact O-N 2.83Å; F169-E172 PolarHBondContact O-N 2.97Å |
| 173 | F | 95 | Very high | 95.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -115.9 | -22.5 | -175.4 | -64.9 | -75.7 | 0 | 0 | 0 | 115.3 | K144 E147 M148 R151 F169 I281 | K144-F173 HydrophobicContact CD-CD1 4.17Å; K144-F173 HydrophobicContact CD-CE1 4.12Å; E147-F173 HydrophobicContact CB-CE1 4.14Å; E147-F173 HydrophobicContact CG-CE1 3.98Å; E147-F173 HydrophobicContact CG-CZ 4Å; M148-F173 VanDerWaalsContact CA-CE1 3.44Å; M148-F173 HydrophobicContact CB-CD1 3.63Å; M148-F173 HydrophobicContact CB-CE1 3.65Å; M148-F173 HydrophobicContact CB-CG 4.12Å; M148-F173 HydrophobicContact CB-CZ 4.14Å; M148-F173 HydrophobicContact CG-CD1 3.93Å; M148-F173 HydrophobicContact CG-CD2 4.12Å; M148-F173 HydrophobicContact CG-CE1 4.28Å; M148-F173 HydrophobicContact CG-CE2 4.47Å; M148-F173 HydrophobicContact CG-CG 3.88Å; M148-F173 VanDerWaalsContact N-CE1 3.35Å; R151-F173 HydrophobicContact CB-CE2 3.81Å; R151-F173 HydrophobicContact CB-CZ 3.99Å; R151-F173 HydrophobicContact CG-CE2 3.88Å; R151-F173 HydrophobicContact CG-CZ 4.43Å; F169-F173 AromaticContact CD2-CD2 3.8Å; F169-F173 HydrophobicContact CD2-CD2 3.8Å; F169-F173 AromaticContact CD2-CE2 3.96Å; F169-F173 HydrophobicContact CD2-CE2 3.96Å; F169-F173 AromaticContact CE2-CD2 3.7Å; F169-F173 HydrophobicContact CE2-CD2 3.7Å; F169-F173 AromaticContact CE2-CE2 3.98Å; F169-F173 HydrophobicContact CE2-CE2 3.98Å; F169-F173 HydrophobicContact CG-CD2 4.45Å; F169-F173 HydrophobicContact CZ-CD2 4.27Å; F169-F173 WeakPolarHBondContact O-CD2 3.49Å; F169-F173 PolarHBondContact O-N 3.47Å; F173-I281 WeakPolarHBondContact O-CB 3.46Å; F173-I281 WeakPolarHBondContact O-CG1 2.97Å; F173-I281 PolarHBondContact O-N 3.38Å |
| 174 | F | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 145.5 | -175.7 | -62.1 | -96.7 | 0 | 0 | 0 | 111.9 | F169 A170 A178 I200 F204 I281 W284 | F169-F174 HydrophobicContact CE1-CE2 4.29Å; A170-F174 WeakPolarHBondContact O-CA 3.05Å; A170-F174 VanDerWaalsContact O-CB 3.31Å; A170-F174 WeakPolarHBondContact O-CB 3.37Å; A170-F174 PolarHBondContact O-N 3.28Å; F174-A178 HydrophobicContact CB-CB 3.8Å; F174-A178 HydrophobicContact CD1-CB 4.14Å; F174-A178 HydrophobicContact CG-CB 4.47Å; F174-I200 HydrophobicContact CD1-CD1 3.74Å; F174-I200 HydrophobicContact CD1-CG2 4.37Å; F174-I200 HydrophobicContact CD2-CG2 4.02Å; F174-I200 HydrophobicContact CE1-CD1 4.13Å; F174-I200 HydrophobicContact CE1-CG2 4.23Å; F174-I200 HydrophobicContact CE2-CG2 3.88Å; F174-I200 HydrophobicContact CG-CD1 4.16Å; F174-I200 HydrophobicContact CG-CG2 4.28Å; F174-I200 HydrophobicContact CZ-CG2 3.99Å; F174-F204 AromaticContact CE2-CE2 3.82Å; F174-F204 HydrophobicContact CE2-CE2 3.82Å; F174-F204 HydrophobicContact CE2-CZ 4.36Å; F174-F204 AromaticContact CZ-CE2 3.75Å; F174-F204 HydrophobicContact CZ-CE2 3.75Å; F174-F204 HydrophobicContact CZ-CZ 4.04Å; F174-I281 WeakPolarHBondContact CA-O 3.31Å; F174-I281 HydrophobicContact CD1-CB 3.92Å; F174-I281 HydrophobicContact CD1-CG2 4.04Å; F174-I281 HydrophobicContact CE1-CB 4.19Å; F174-I281 HydrophobicContact CE1-CD1 4.48Å; F174-I281 HydrophobicContact CE1-CG2 4.02Å; F174-I281 HydrophobicContact CG-CB 4.49Å; F174-W284 HydrophobicContact CE1-CB 4.15Å; F174-W284 HydrophobicContact CE1-CE3 4.43Å; F174-W284 HydrophobicContact CZ-CE3 4.39Å |
| 175 | E | 94.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 161.9 | 168.9 | -77.5 | -63.7 | 132.9 | 0 | 0 | 111.9 | D177 A178 R197 A265 S267 R280 I281 R282 | E175-D177 WeakPolarHBondContact CB-OD1 3.23Å; E175-D177 PolarHBondContact O-N 3.3Å; E175-A178 HydrophobicContact CB-CB 4.3Å; E175-A178 WeakPolarHBondContact O-CB 3.26Å; E175-A178 PolarHBondContact O-N 3Å; E175-A178 VanDerWaalsContact O-N 3.14Å; E175-R197 VanDerWaalsContact O-CD 3.22Å; E175-R197 WeakPolarHBondContact O-CD 3.41Å; E175-R197 WeakPolarHBondContact O-CG 3.2Å; E175-A265 HydrophobicContact CG-CB 3.75Å; E175-S267 WeakPolarHBondContact OE1-CB 3.49Å; E175-R280 HydrophobicContact CG-CB 4.07Å; E175-R280 WeakPolarHBondContact OE1-CB 3.3Å; E175-R280 IonicContact OE1-CZ 3.78Å; E175-R280 IonicContact OE1-NE 3.57Å; E175-R280 PolarHBondContact OE1-NE 2.93Å; E175-R280 IonicContact OE1-NH2 2.78Å; E175-R280 PolarHBondContact OE1-NH2 2.73Å; E175-R280 IonicContact OE2-CZ 3.62Å; E175-R280 IonicContact OE2-NE 2.96Å; E175-R280 IonicContact OE2-NH2 2.76Å; E175-R280 PolarHBondContact OE2-NH2 3.3Å; E175-I281 PolarHBondContact N-O 2.87Å; E175-R282 HydrophobicContact CB-CB 4.49Å; E175-R282 HydrophobicContact CG-CB 4.26Å |
| 176 | D | 93.3 | Very high | 95.2 | Very high | 105 Ų | 105 | 29.7 Ų | 29.7 | 56% | 0.561 | 18% | 0.175 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | -22.4 | 178.3 | -55.6 | -67.9 | 0 | 0 | 0 | 112.2 | R197 R280 | D176-R197 WeakPolarHBondContact O-CB 3.48Å; D176-R280 IonicContact OD2-CZ 3.34Å; D176-R280 IonicContact OD2-NH1 3.61Å; D176-R280 PolarHBondContact OD2-NH1 3.06Å; D176-R280 IonicContact OD2-NH2 3.27Å; D176-R280 PolarHBondContact OD2-NH2 3.35Å |
| 177 | D | 93.8 | Very high | 94.8 | Very high | 90 Ų | 90 | 37.2 Ų | 37.2 | 48% | 0.481 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 8.8 | 172.6 | 68.6 | -1.3 | 0 | 0 | 0 | 113.9 | E175 R282 | E175-D177 WeakPolarHBondContact CB-OD1 3.23Å; E175-D177 PolarHBondContact O-N 3.3Å; D177-R282 IonicContact OD1-NE 2.73Å; D177-R282 PolarHBondContact OD1-NE 2.98Å; D177-R282 IonicContact OD1-NH2 3.35Å; D177-R282 IonicContact OD2-CZ 3.77Å; D177-R282 IonicContact OD2-NE 3.06Å; D177-R282 PolarHBondContact OD2-NE 3.32Å; D177-R282 IonicContact OD2-NH2 3.95Å; D177-R282 PolarHBondContact OD2-NH2 3.08Å; D177-R282 VanDerWaalsContact OD2-NH2 3.12Å |
| 178 | A | 96.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 148.3 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F174 E175 G196 R197 I200 I281 R282 | F174-A178 HydrophobicContact CB-CB 3.8Å; F174-A178 HydrophobicContact CD1-CB 4.14Å; F174-A178 HydrophobicContact CG-CB 4.47Å; E175-A178 HydrophobicContact CB-CB 4.3Å; E175-A178 WeakPolarHBondContact O-CB 3.26Å; E175-A178 PolarHBondContact O-N 3Å; E175-A178 VanDerWaalsContact O-N 3.14Å; A178-G196 CarbonylContact O-C 3.51Å; A178-R197 HydrophobicContact CB-CB 4.47Å; A178-R197 PolarHBondContact O-N 2.95Å; A178-I200 HydrophobicContact CB-CD1 4.14Å; A178-I281 VanDerWaalsContact CB-O 3.28Å; A178-I281 WeakPolarHBondContact CB-O 3.43Å; A178-R282 CarbonylContact C-O 3.55Å; A178-R282 WeakPolarHBondContact CA-O 3.36Å |
| 179 | T | 97.1 | Very high | 94.4 | Very high | 53 Ų | 53 | 38 Ų | 38 | 33% | 0.325 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 138.5 | 175.3 | 63.7 | 0 | 0 | 0 | 0 | 111.8 | R282 W284 | T179-R282 PolarHBondContact N-O 2.9Å; T179-W284 PolarHBondContact O-N 2.97Å |
| 180 | L | 98.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 118 | 175.4 | -172.7 | 155.1 | 0 | 0 | 0 | 109.2 | L182 T194 I195 I200 Y203 F204 W284 | L180-L182 HydrophobicContact CD2-CD2 4.27Å; L180-L182 HydrophobicContact CD2-CG 4.04Å; L180-T194 CarbonylContact O-C 3.53Å; L180-T194 WeakPolarHBondContact O-CA 3.39Å; L180-I195 HydrophobicContact CB-CD1 4.44Å; L180-I195 HydrophobicContact CB-CG1 3.87Å; L180-I195 HydrophobicContact CD2-CD1 4.22Å; L180-I195 HydrophobicContact CD2-CG1 4.21Å; L180-I195 PolarHBondContact N-O 3.04Å; L180-I195 PolarHBondContact O-N 3.15Å; L180-I200 HydrophobicContact CB-CD1 3.98Å; L180-I200 HydrophobicContact CB-CG1 3.96Å; L180-I200 HydrophobicContact CD1-CG1 4.44Å; L180-I200 HydrophobicContact CD1-CG2 4.23Å; L180-Y203 HydrophobicContact CD1-CD1 3.61Å; L180-Y203 HydrophobicContact CD1-CE1 3.77Å; L180-Y203 HydrophobicContact CD2-CD1 4.12Å; L180-Y203 HydrophobicContact CD2-CE1 4.05Å; L180-Y203 HydrophobicContact CD2-CG 4.5Å; L180-F204 HydrophobicContact CD1-CE2 4.13Å; L180-F204 HydrophobicContact CD1-CZ 4.32Å; L180-W284 CarbonylContact C-O 3.52Å; L180-W284 WeakPolarHBondContact CA-O 3.47Å; L180-W284 HydrophobicContact CB-CB 4.48Å; L180-W284 HydrophobicContact CD1-CG 4.39Å; L180-W284 HydrophobicContact CG-CB 4.27Å; L180-W284 HydrophobicContact CG-CG 4.17Å |
| 181 | S | 97.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.6 | 176.7 | -71 | 0 | 0 | 0 | 0 | 110.6 | R192 Y193 T194 W284 H285 F286 | S181-R192 PolarHBondContact OG-NH2 3.01Å; S181-Y193 CarbonylContact C-O 3.51Å; S181-Y193 VanDerWaalsContact CA-O 3.32Å; S181-Y193 WeakPolarHBondContact CA-O 3.45Å; S181-T194 PolarHBondContact OG-OG1 3.43Å; S181-W284 PolarHBondContact N-O 3.26Å; S181-H285 VanDerWaalsContact CB-CD2 3.42Å; S181-H285 WeakPolarHBondContact CB-CD2 3.41Å; S181-H285 WeakPolarHBondContact O-CA 3.33Å; S181-F286 PolarHBondContact O-N 2.94Å |
| 182 | L | 97.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 143.1 | 164.4 | -60.5 | 178.2 | 0 | 0 | 0 | 109.2 | L180 F184 R192 Y193 Y203 F286 L319 L327 | L180-L182 HydrophobicContact CD2-CD2 4.27Å; L180-L182 HydrophobicContact CD2-CG 4.04Å; L182-F184 HydrophobicContact CB-CD1 4.29Å; L182-F184 HydrophobicContact CB-CE1 4.05Å; L182-R192 WeakPolarHBondContact O-CA 3.41Å; L182-Y193 PolarHBondContact N-O 2.78Å; L182-Y193 PolarHBondContact O-N 3.1Å; L182-Y203 HydrophobicContact CD1-CE2 3.67Å; L182-F286 WeakPolarHBondContact CA-O 3.46Å; L182-F286 HydrophobicContact CD2-CB 3.93Å; L182-F286 HydrophobicContact CD2-CD1 4.28Å; L182-L319 HydrophobicContact CD1-CD1 4.21Å; L182-L327 HydrophobicContact CD1-CD1 3.66Å; L182-L327 HydrophobicContact CD1-CD2 4.07Å |
| 183 | S | 97.3 | Very high | 94.5 | Very high | 13 Ų | 13 | 49.2 Ų | 49.2 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 128.6 | 176.5 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | K191 H285 F286 L287 I288 | S183-K191 WeakPolarHBondContact CA-O 3.33Å; S183-H285 PolarHBondContact OG-NE2 3.1Å; S183-F286 PolarHBondContact N-O 3.35Å; S183-L287 CarbonylContact O-C 3.54Å; S183-L287 WeakPolarHBondContact O-CA 3.29Å; S183-I288 PolarHBondContact O-N 3.33Å |
| 184 | F | 96.4 | Very high | 94.6 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 158 | -173.9 | 51.5 | -94.2 | 0 | 0 | 0 | 111.6 | L182 L186 K191 Y193 I288 Q317 L319 L324 | L182-F184 HydrophobicContact CB-CD1 4.29Å; L182-F184 HydrophobicContact CB-CE1 4.05Å; F184-L186 HydrophobicContact CD2-CD2 4Å; F184-L186 HydrophobicContact CD2-CG 3.92Å; F184-L186 HydrophobicContact CE2-CD1 4.01Å; F184-L186 HydrophobicContact CE2-CD2 3.92Å; F184-L186 HydrophobicContact CE2-CG 3.78Å; F184-K191 HydrophobicContact CE2-CB 4.42Å; F184-K191 PolarHBondContact N-O 2.95Å; F184-K191 PolarHBondContact O-N 3.4Å; F184-Y193 AromaticContact CE1-CD2 3.74Å; F184-Y193 HydrophobicContact CE1-CD2 3.74Å; F184-Y193 HydrophobicContact CE1-CE2 4.11Å; F184-Y193 HydrophobicContact CE2-CD2 4.47Å; F184-Y193 HydrophobicContact CE2-CE2 4.01Å; F184-Y193 AromaticContact CZ-CD2 3.54Å; F184-Y193 HydrophobicContact CZ-CD2 3.54Å; F184-Y193 AromaticContact CZ-CE2 3.42Å; F184-Y193 HydrophobicContact CZ-CE2 3.42Å; F184-Y193 VanDerWaalsContact CZ-CE2 3.42Å; F184-I288 HydrophobicContact CB-CB 4Å; F184-I288 HydrophobicContact CB-CD1 4.3Å; F184-I288 HydrophobicContact CD1-CD1 4Å; F184-I288 HydrophobicContact CG-CD1 4.43Å; F184-Q317 HydrophobicContact CB-CB 4.25Å; F184-Q317 HydrophobicContact CB-CG 4.28Å; F184-Q317 HydrophobicContact CD2-CB 4.23Å; F184-Q317 HydrophobicContact CD2-CG 4.22Å; F184-Q317 HydrophobicContact CG-CB 4.4Å; F184-L319 HydrophobicContact CD1-CD1 4.39Å; F184-L319 HydrophobicContact CE1-CD1 3.73Å; F184-L319 HydrophobicContact CZ-CD1 3.98Å; F184-L324 HydrophobicContact CE2-CD2 3.81Å; F184-L324 HydrophobicContact CZ-CD2 3.51Å |
| 185 | C | 92.1 | Very high | 94.5 | Very high | 76 Ų | 76 | 51.5 Ų | 51.5 | 51% | 0.514 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125.2 | 177.1 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | Q317 | C185-Q317 VanDerWaalsContact O-CG 3.26Å; C185-Q317 WeakPolarHBondContact O-CG 3.47Å; C185-Q317 PolarHBondContact O-NE2 2.85Å |
| 186 | L | 89 | Confident | 94.5 | Very high | 24 Ų | 24 | 52.4 Ų | 52.4 | 13% | 0.126 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 179.3 | 167.5 | -69.5 | -175.2 | 0 | 0 | 0 | 110.3 | F184 D188 G189 K191 R316 Q317 | F184-L186 HydrophobicContact CD2-CD2 4Å; F184-L186 HydrophobicContact CD2-CG 3.92Å; F184-L186 HydrophobicContact CE2-CD1 4.01Å; F184-L186 HydrophobicContact CE2-CD2 3.92Å; F184-L186 HydrophobicContact CE2-CG 3.78Å; L186-D188 VanDerWaalsContact CB-OD1 3.24Å; L186-D188 WeakPolarHBondContact CB-OD1 3.28Å; L186-D188 PolarHBondContact O-N 2.92Å; L186-G189 PolarHBondContact N-O 2.71Å; L186-G189 PolarHBondContact O-N 2.69Å; L186-K191 HydrophobicContact CB-CG 4.43Å; L186-K191 HydrophobicContact CD1-CG 4.1Å; L186-K191 HydrophobicContact CG-CG 4.25Å; L186-R316 HydrophobicContact CD2-CB 4.41Å; L186-Q317 HydrophobicContact CD2-CG 4.21Å |
| 187 | E | 88.1 | Confident | 94.6 | Very high | 166 Ų | 166 | 48.6 Ų | 48.6 | 78% | 0.776 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -30.8 | 175 | -65.4 | 157.1 | 168.8 | 0 | 0 | 112.4 | R316 | E187-R316 VanDerWaalsContact CD-NH1 3.25Å; E187-R316 IonicContact OE1-CZ 2.71Å; E187-R316 IonicContact OE1-NH1 2.69Å; E187-R316 PolarHBondContact OE1-NH1 3.37Å; E187-R316 IonicContact OE1-NH2 3.62Å; E187-R316 IonicContact OE2-CZ 2.92Å; E187-R316 IonicContact OE2-NH1 3.21Å; E187-R316 PolarHBondContact OE2-NH1 2.99Å; E187-R316 IonicContact OE2-NH2 3.75Å |
| 188 | D | 88.9 | Confident | 94.6 | Very high | 107 Ų | 107 | 50.2 Ų | 50.2 | 57% | 0.572 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 19.8 | 177.5 | 67.8 | -25.7 | 0 | 0 | 0 | 113.5 | L186 K191 | L186-D188 VanDerWaalsContact CB-OD1 3.24Å; L186-D188 WeakPolarHBondContact CB-OD1 3.28Å; L186-D188 PolarHBondContact O-N 2.92Å; D188-K191 WeakPolarHBondContact OD1-CE 3.32Å; D188-K191 IonicContact OD1-NZ 2.82Å; D188-K191 WeakPolarHBondContact OD2-CE 3.48Å; D188-K191 IonicContact OD2-NZ 3.58Å; D188-K191 PolarHBondContact OD2-NZ 2.96Å |
| 189 | G | 92.1 | Very high | 94.4 | Very high | 25 Ų | 25 | 50.6 Ų | 50.6 | 26% | 0.258 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 100.9 | -168.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L186 K191 | L186-G189 PolarHBondContact N-O 2.71Å; L186-G189 PolarHBondContact O-N 2.69Å; G189-K191 PolarHBondContact O-N 3.47Å |
| 190 | P | 94.5 | Very high | 94.4 | Very high | 113 Ų | 113 | 48 Ų | 48 | 73% | 0.734 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 127 | -179.7 | 28 | -33.8 | 0 | 0 | 0 | 111.1 | ||
| 191 | K | 94.8 | Very high | 94.3 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 144.4 | 174.1 | -59.9 | -55.5 | -177.5 | -171.1 | 0 | 110.8 | S183 F184 L186 D188 G189 Y193 | S183-K191 WeakPolarHBondContact CA-O 3.33Å; F184-K191 HydrophobicContact CE2-CB 4.42Å; F184-K191 PolarHBondContact N-O 2.95Å; F184-K191 PolarHBondContact O-N 3.4Å; L186-K191 HydrophobicContact CB-CG 4.43Å; L186-K191 HydrophobicContact CD1-CG 4.1Å; L186-K191 HydrophobicContact CG-CG 4.25Å; D188-K191 WeakPolarHBondContact OD1-CE 3.32Å; D188-K191 IonicContact OD1-NZ 2.82Å; D188-K191 WeakPolarHBondContact OD2-CE 3.48Å; D188-K191 IonicContact OD2-NZ 3.58Å; D188-K191 PolarHBondContact OD2-NZ 2.96Å; G189-K191 PolarHBondContact O-N 3.47Å; K191-Y193 HydrophobicContact CB-CD2 4.34Å; K191-Y193 HydrophobicContact CB-CE2 3.75Å; K191-Y193 HydrophobicContact CG-CE2 4.35Å |
| 192 | R | 95.4 | Very high | 94.2 | Very high | 159 Ų | 159 | 52.6 Ų | 52.6 | 60% | 0.6 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 127 | 166.8 | 179.4 | 175 | 179.9 | 179.6 | 4.2 | 108.6 | S181 L182 T194 | S181-R192 PolarHBondContact OG-NH2 3.01Å; L182-R192 WeakPolarHBondContact O-CA 3.41Å; R192-T194 PolarHBondContact NE-OG1 3.37Å |
| 193 | Y | 95.8 | Very high | 94.1 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 9% | 0.09 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.7 | 173.2 | -66.1 | -81.9 | 0 | 0 | 0 | 107.6 | S181 L182 F184 K191 L327 R328 V331 | S181-Y193 CarbonylContact C-O 3.51Å; S181-Y193 VanDerWaalsContact CA-O 3.32Å; S181-Y193 WeakPolarHBondContact CA-O 3.45Å; L182-Y193 PolarHBondContact N-O 2.78Å; L182-Y193 PolarHBondContact O-N 3.1Å; F184-Y193 AromaticContact CE1-CD2 3.74Å; F184-Y193 HydrophobicContact CE1-CD2 3.74Å; F184-Y193 HydrophobicContact CE1-CE2 4.11Å; F184-Y193 HydrophobicContact CE2-CD2 4.47Å; F184-Y193 HydrophobicContact CE2-CE2 4.01Å; F184-Y193 AromaticContact CZ-CD2 3.54Å; F184-Y193 HydrophobicContact CZ-CD2 3.54Å; F184-Y193 AromaticContact CZ-CE2 3.42Å; F184-Y193 HydrophobicContact CZ-CE2 3.42Å; F184-Y193 VanDerWaalsContact CZ-CE2 3.42Å; K191-Y193 HydrophobicContact CB-CD2 4.34Å; K191-Y193 HydrophobicContact CB-CE2 3.75Å; K191-Y193 HydrophobicContact CG-CE2 4.35Å; Y193-L327 HydrophobicContact CD1-CB 3.77Å; Y193-L327 WeakPolarHBondContact CD1-O 3.37Å; Y193-L327 HydrophobicContact CD2-CB 4.41Å; Y193-L327 HydrophobicContact CE1-CB 4.22Å; Y193-L327 HydrophobicContact CG-CB 3.9Å; Y193-R328 HydrophobicContact CE1-CG 4.17Å; Y193-V331 HydrophobicContact CD1-CG2 3.55Å; Y193-V331 HydrophobicContact CE1-CG2 3.99Å |
| 194 | T | 95.8 | Very high | 94.1 | Very high | 44 Ų | 44 | 52 Ų | 52 | 27% | 0.27 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 136.6 | 176 | -53.1 | 0 | 0 | 0 | 0 | 108.1 | L180 S181 R192 | L180-T194 CarbonylContact O-C 3.53Å; L180-T194 WeakPolarHBondContact O-CA 3.39Å; S181-T194 PolarHBondContact OG-OG1 3.43Å; R192-T194 PolarHBondContact NE-OG1 3.37Å |
| 195 | I | 95.2 | Very high | 94 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 144.2 | 176.9 | 67.3 | 177.3 | 0 | 0 | 0 | 110.5 | L180 L199 I200 Y203 C330 | L180-I195 HydrophobicContact CB-CD1 4.44Å; L180-I195 HydrophobicContact CB-CG1 3.87Å; L180-I195 HydrophobicContact CD2-CD1 4.22Å; L180-I195 HydrophobicContact CD2-CG1 4.21Å; L180-I195 PolarHBondContact N-O 3.04Å; L180-I195 PolarHBondContact O-N 3.15Å; I195-L199 HydrophobicContact CB-CB 3.99Å; I195-L199 HydrophobicContact CB-CD1 4.23Å; I195-L199 HydrophobicContact CD1-CB 4.16Å; I195-L199 HydrophobicContact CG1-CB 4.43Å; I195-L199 HydrophobicContact CG2-CD1 4.37Å; I195-I200 HydrophobicContact CD1-CG1 4.5Å; I195-I200 HydrophobicContact CG1-CG1 4.42Å; I195-Y203 HydrophobicContact CD1-CG 4.05Å; I195-C330 HydrophobicContact CG2-CB 3.58Å |
| 196 | G | 94.9 | Very high | 94.2 | Very high | 28 Ų | 28 | 52.3 Ų | 52.3 | 29% | 0.289 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 169.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A178 N198 L199 I200 | A178-G196 CarbonylContact O-C 3.51Å; G196-N198 PolarHBondContact O-N 3.29Å; G196-L199 PolarHBondContact O-N 3.47Å; G196-I200 PolarHBondContact O-N 3.02Å |
| 197 | R | 94.7 | Very high | 94.5 | Very high | 26 Ų | 26 | 51.4 Ų | 51.4 | 10% | 0.098 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.5 | -35 | -175.8 | 176.8 | 57.1 | -176.9 | 78 | 4.3 | 116.4 | A170 S171 E175 D176 A178 L199 P201 | A170-R197 VanDerWaalsContact CB-CZ 3.43Å; S171-R197 VanDerWaalsContact N-NH2 3.14Å; S171-R197 PolarHBondContact OG-NH2 2.63Å; E175-R197 VanDerWaalsContact O-CD 3.22Å; E175-R197 WeakPolarHBondContact O-CD 3.41Å; E175-R197 WeakPolarHBondContact O-CG 3.2Å; D176-R197 WeakPolarHBondContact O-CB 3.48Å; A178-R197 HydrophobicContact CB-CB 4.47Å; A178-R197 PolarHBondContact O-N 2.95Å; R197-L199 PolarHBondContact O-N 3.34Å; R197-P201 VanDerWaalsContact O-CD 3.26Å; R197-P201 WeakPolarHBondContact O-CD 3.2Å |
| 198 | N | 93.3 | Very high | 94.8 | Very high | 124 Ų | 124 | 44.6 Ų | 44.6 | 66% | 0.663 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -17.5 | 179.5 | -65.3 | -25.4 | 0 | 0 | 0 | 114 | G196 | G196-N198 PolarHBondContact O-N 3.29Š|
| 199 | L | 94.2 | Very high | 94.9 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -19 | -179.3 | -64.6 | 176.9 | 0 | 0 | 0 | 112.5 | W9 I195 G196 R197 R202 Y203 Y326 C330 | W9-L199 HydrophobicContact CH2-CD2 3.82Å; W9-L199 HydrophobicContact CZ2-CD2 4.44Å; I195-L199 HydrophobicContact CB-CB 3.99Å; I195-L199 HydrophobicContact CB-CD1 4.23Å; I195-L199 HydrophobicContact CD1-CB 4.16Å; I195-L199 HydrophobicContact CG1-CB 4.43Å; I195-L199 HydrophobicContact CG2-CD1 4.37Å; G196-L199 PolarHBondContact O-N 3.47Å; R197-L199 PolarHBondContact O-N 3.34Å; L199-R202 PolarHBondContact O-N 3.24Å; L199-R202 VanDerWaalsContact O-N 3.08Å; L199-Y203 PolarHBondContact O-N 2.89Å; L199-Y326 WeakPolarHBondContact CB-OH 3.42Å; L199-Y326 PolarHBondContact O-OH 3.08Å; L199-Y326 VanDerWaalsContact O-OH 3.1Å; L199-C330 HydrophobicContact CD1-CB 4.12Å |
| 200 | I | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53 | -46 | 177.3 | -60.4 | -178.5 | 0 | 0 | 0 | 113.2 | F174 A178 L180 I195 G196 R202 Y203 F204 | F174-I200 HydrophobicContact CD1-CD1 3.74Å; F174-I200 HydrophobicContact CD1-CG2 4.37Å; F174-I200 HydrophobicContact CD2-CG2 4.02Å; F174-I200 HydrophobicContact CE1-CD1 4.13Å; F174-I200 HydrophobicContact CE1-CG2 4.23Å; F174-I200 HydrophobicContact CE2-CG2 3.88Å; F174-I200 HydrophobicContact CG-CD1 4.16Å; F174-I200 HydrophobicContact CG-CG2 4.28Å; F174-I200 HydrophobicContact CZ-CG2 3.99Å; A178-I200 HydrophobicContact CB-CD1 4.14Å; L180-I200 HydrophobicContact CB-CD1 3.98Å; L180-I200 HydrophobicContact CB-CG1 3.96Å; L180-I200 HydrophobicContact CD1-CG1 4.44Å; L180-I200 HydrophobicContact CD1-CG2 4.23Å; I195-I200 HydrophobicContact CD1-CG1 4.5Å; I195-I200 HydrophobicContact CG1-CG1 4.42Å; G196-I200 PolarHBondContact O-N 3.02Å; I200-R202 VanDerWaalsContact C-N 3.29Å; I200-R202 PolarHBondContact O-N 3.22Å; I200-Y203 PolarHBondContact O-N 3.31Å; I200-F204 HydrophobicContact CG2-CD2 3.92Å; I200-F204 HydrophobicContact CG2-CE2 3.69Å; I200-F204 WeakPolarHBondContact O-CD2 3.45Å; I200-F204 PolarHBondContact O-N 3.14Å |
| 201 | P | 95.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.4 | -44.2 | 175.3 | -25 | 31.7 | 0 | 0 | 0 | 113 | W166 D167 A170 R197 R205 | W166-P201 HydrophobicContact CB-CB 3.92Å; D167-P201 WeakPolarHBondContact OD1-CG 3.42Å; A170-P201 HydrophobicContact CB-CG 3.71Å; R197-P201 VanDerWaalsContact O-CD 3.26Å; R197-P201 WeakPolarHBondContact O-CD 3.2Å; P201-R205 WeakPolarHBondContact O-CB 3.38Å; P201-R205 PolarHBondContact O-N 3.47Å |
| 202 | R | 94.5 | Very high | 94.8 | Very high | 96 Ų | 96 | 37.7 Ų | 37.7 | 36% | 0.362 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -75.5 | -30.9 | -177.9 | -68.1 | -174.7 | -175.4 | -154.5 | 2.8 | 112.6 | L199 I200 R205 S206 Y326 | L199-R202 PolarHBondContact O-N 3.24Å; L199-R202 VanDerWaalsContact O-N 3.08Å; I200-R202 VanDerWaalsContact C-N 3.29Å; I200-R202 PolarHBondContact O-N 3.22Å; R202-R205 PolarHBondContact O-N 3.28Å; R202-S206 WeakPolarHBondContact O-CB 3.47Å; R202-S206 PolarHBondContact O-N 2.89Å; R202-Y326 HydrophobicContact CB-CE2 3.86Å; R202-Y326 VanDerWaalsContact CB-OH 3.3Å; R202-Y326 WeakPolarHBondContact CB-OH 3.37Å |
| 203 | Y | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.2 | -54.8 | 171.1 | 164.8 | -108.4 | 0 | 0 | 0 | 111.6 | L180 L182 I195 L199 I200 R205 S206 I207 T323 Y326 L327 | L180-Y203 HydrophobicContact CD1-CD1 3.61Å; L180-Y203 HydrophobicContact CD1-CE1 3.77Å; L180-Y203 HydrophobicContact CD2-CD1 4.12Å; L180-Y203 HydrophobicContact CD2-CE1 4.05Å; L180-Y203 HydrophobicContact CD2-CG 4.5Å; L182-Y203 HydrophobicContact CD1-CE2 3.67Å; I195-Y203 HydrophobicContact CD1-CG 4.05Å; L199-Y203 PolarHBondContact O-N 2.89Å; I200-Y203 PolarHBondContact O-N 3.31Å; Y203-R205 VanDerWaalsContact C-N 3.33Å; Y203-R205 PolarHBondContact O-N 3.39Å; Y203-S206 PolarHBondContact O-N 2.96Å; Y203-S206 VanDerWaalsContact O-N 3.13Å; Y203-S206 PolarHBondContact O-OG 3.45Å; Y203-I207 HydrophobicContact CE1-CD1 4.08Å; Y203-I207 HydrophobicContact CE2-CD1 4.26Å; Y203-I207 PolarHBondContact O-N 3.17Å; Y203-T323 HydrophobicContact CD2-CG2 4.3Å; Y203-T323 HydrophobicContact CE2-CG2 3.88Å; Y203-Y326 VanDerWaalsContact CA-CE1 3.46Å; Y203-L327 HydrophobicContact CD2-CD2 4.02Å; Y203-L327 HydrophobicContact CE2-CD2 4.32Å |
| 204 | F | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 179.8 | -75 | -75.1 | 0 | 0 | 0 | 111.7 | W166 F169 F174 L180 I200 S206 I207 F208 L215 Y217 | W166-F204 HydrophobicContact CE3-CB 3.78Å; W166-F204 HydrophobicContact CH2-CB 3.94Å; W166-F204 HydrophobicContact CZ3-CB 3.32Å; W166-F204 HydrophobicContact CZ3-CG 4.26Å; F169-F204 HydrophobicContact CD1-CD2 4.49Å; F169-F204 AromaticContact CE1-CD2 3.66Å; F169-F204 HydrophobicContact CE1-CD2 3.66Å; F169-F204 AromaticContact CE1-CE2 3.83Å; F169-F204 HydrophobicContact CE1-CE2 3.83Å; F169-F204 HydrophobicContact CE1-CG 4.07Å; F169-F204 HydrophobicContact CE1-CZ 4.37Å; F169-F204 HydrophobicContact CZ-CD2 4.5Å; F169-F204 HydrophobicContact CZ-CE2 4.43Å; F174-F204 AromaticContact CE2-CE2 3.82Å; F174-F204 HydrophobicContact CE2-CE2 3.82Å; F174-F204 HydrophobicContact CE2-CZ 4.36Å; F174-F204 AromaticContact CZ-CE2 3.75Å; F174-F204 HydrophobicContact CZ-CE2 3.75Å; F174-F204 HydrophobicContact CZ-CZ 4.04Å; L180-F204 HydrophobicContact CD1-CE2 4.13Å; L180-F204 HydrophobicContact CD1-CZ 4.32Å; I200-F204 HydrophobicContact CG2-CD2 3.92Å; I200-F204 HydrophobicContact CG2-CE2 3.69Å; I200-F204 WeakPolarHBondContact O-CD2 3.45Å; I200-F204 PolarHBondContact O-N 3.14Å; F204-S206 VanDerWaalsContact C-N 3.32Å; F204-S206 PolarHBondContact O-N 2.9Å; F204-I207 HydrophobicContact CD1-CD1 4.24Å; F204-I207 WeakPolarHBondContact O-CB 3.26Å; F204-I207 PolarHBondContact O-N 2.89Å; F204-F208 WeakPolarHBondContact O-CD2 3.42Å; F204-L215 HydrophobicContact CD1-CD2 4.03Å; F204-L215 HydrophobicContact CE1-CD2 4.4Å; F204-Y217 HydrophobicContact CE1-CE2 4.3Å |
| 205 | R | 94.8 | Very high | 94.7 | Very high | 88 Ų | 88 | 33 Ų | 33 | 33% | 0.332 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -53.9 | -44.3 | 172.4 | -177.1 | 175.9 | 165.1 | 146.8 | 6.8 | 112.9 | W166 P201 R202 Y203 I207 F208 E209 | W166-R205 HydrophobicContact CD2-CB 4.18Å; W166-R205 HydrophobicContact CG-CB 4.24Å; P201-R205 WeakPolarHBondContact O-CB 3.38Å; P201-R205 PolarHBondContact O-N 3.47Å; R202-R205 PolarHBondContact O-N 3.28Å; Y203-R205 VanDerWaalsContact C-N 3.33Å; Y203-R205 PolarHBondContact O-N 3.39Å; R205-I207 PolarHBondContact O-N 3.05Å; R205-F208 PolarHBondContact O-N 2.86Å; R205-F208 VanDerWaalsContact O-N 3.11Å; R205-E209 HydrophobicContact CG-CG 4.28Å; R205-E209 IonicContact CZ-OE1 3.55Å; R205-E209 IonicContact NE-OE1 2.7Å; R205-E209 PolarHBondContact NE-OE1 2.91Å; R205-E209 IonicContact NH2-OE1 3.79Å; R205-E209 PolarHBondContact NH2-OE1 2.85Å; R205-E209 PolarHBondContact O-N 2.87Å |
| 206 | S | 95.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.7 | -24.5 | -178.8 | 76.2 | 0 | 0 | 0 | 0 | 114.2 | R202 Y203 F204 G210 T323 | R202-S206 WeakPolarHBondContact O-CB 3.47Å; R202-S206 PolarHBondContact O-N 2.89Å; Y203-S206 PolarHBondContact O-N 2.96Å; Y203-S206 VanDerWaalsContact O-N 3.13Å; Y203-S206 PolarHBondContact O-OG 3.45Å; F204-S206 VanDerWaalsContact C-N 3.32Å; F204-S206 PolarHBondContact O-N 2.9Å; S206-G210 PolarHBondContact O-N 3.08Å; S206-G210 VanDerWaalsContact O-N 3.15Å; S206-T323 PolarHBondContact O-OG1 2.85Å |
| 207 | I | 95.9 | Very high | 95 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67 | -46.6 | 174.5 | -60.2 | 167.1 | 0 | 0 | 0 | 110 | Y203 F204 R205 G210 V212 L215 M242 T244 T323 | Y203-I207 HydrophobicContact CE1-CD1 4.08Å; Y203-I207 HydrophobicContact CE2-CD1 4.26Å; Y203-I207 PolarHBondContact O-N 3.17Å; F204-I207 HydrophobicContact CD1-CD1 4.24Å; F204-I207 WeakPolarHBondContact O-CB 3.26Å; F204-I207 PolarHBondContact O-N 2.89Å; R205-I207 PolarHBondContact O-N 3.05Å; I207-G210 WeakPolarHBondContact O-CA 3.41Å; I207-G210 PolarHBondContact O-N 2.77Å; I207-G210 VanDerWaalsContact O-N 3.14Å; I207-V212 HydrophobicContact CG2-CB 4.1Å; I207-V212 HydrophobicContact CG2-CG1 4.26Å; I207-V212 HydrophobicContact CG2-CG2 3.78Å; I207-V212 WeakPolarHBondContact O-CB 3.41Å; I207-V212 WeakPolarHBondContact O-CG2 3.4Å; I207-L215 HydrophobicContact CD1-CD2 3.87Å; I207-L215 HydrophobicContact CG2-CD2 4.45Å; I207-M242 HydrophobicContact CD1-CE 4.01Å; I207-T244 HydrophobicContact CG2-CG2 4.2Å; I207-T323 HydrophobicContact CG1-CG2 4.09Å |
| 208 | F | 94.2 | Very high | 95 | Very high | 23 Ų | 23 | 36.4 Ų | 36.4 | 10% | 0.101 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73.2 | -37 | 179.4 | -61.5 | -76 | 0 | 0 | 0 | 112.5 | L152 W166 F204 R205 G210 G211 V212 L215 | L152-F208 HydrophobicContact CD2-CE2 4.32Å; L152-F208 HydrophobicContact CD2-CZ 4.41Å; W166-F208 AromaticContact CH2-CD2 3.66Å; W166-F208 HydrophobicContact CH2-CD2 3.66Å; W166-F208 AromaticContact CH2-CE2 3.43Å; W166-F208 HydrophobicContact CH2-CE2 3.43Å; W166-F208 VanDerWaalsContact CH2-CE2 3.43Å; W166-F208 HydrophobicContact CH2-CZ 4.47Å; W166-F208 AromaticContact CZ2-CD2 3.63Å; W166-F208 HydrophobicContact CZ2-CD2 3.63Å; W166-F208 AromaticContact CZ2-CE2 3.91Å; W166-F208 HydrophobicContact CZ2-CE2 3.91Å; F204-F208 WeakPolarHBondContact O-CD2 3.42Å; R205-F208 PolarHBondContact O-N 2.86Å; R205-F208 VanDerWaalsContact O-N 3.11Å; F208-G210 PolarHBondContact O-N 3.12Å; F208-G210 VanDerWaalsContact O-N 3.15Å; F208-G211 PolarHBondContact O-N 2.73Å; F208-V212 HydrophobicContact CD1-CB 4.13Å; F208-V212 HydrophobicContact CD1-CG1 3.91Å; F208-V212 WeakPolarHBondContact CD1-O 3.18Å; F208-V212 HydrophobicContact CE1-CG1 3.92Å; F208-L215 HydrophobicContact CE1-CB 3.98Å; F208-L215 HydrophobicContact CE2-CB 4.46Å; F208-L215 HydrophobicContact CE2-CD2 4.15Å; F208-L215 HydrophobicContact CZ-CB 3.59Å; F208-L215 HydrophobicContact CZ-CD2 4.07Å; F208-L215 HydrophobicContact CZ-CG 4.47Å |
| 209 | E | 92.6 | Very high | 95.1 | Very high | 107 Ų | 107 | 31.9 Ų | 31.9 | 50% | 0.5 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.2 | -21.3 | 168.5 | -69.2 | 176.6 | 163.9 | 0 | 0 | 112.3 | R205 G211 V322 | R205-E209 HydrophobicContact CG-CG 4.28Å; R205-E209 IonicContact CZ-OE1 3.55Å; R205-E209 IonicContact NE-OE1 2.7Å; R205-E209 PolarHBondContact NE-OE1 2.91Å; R205-E209 IonicContact NH2-OE1 3.79Å; R205-E209 PolarHBondContact NH2-OE1 2.85Å; R205-E209 PolarHBondContact O-N 2.87Å; E209-G211 VanDerWaalsContact C-N 3.25Å; E209-G211 PolarHBondContact O-N 3.14Å; E209-V322 HydrophobicContact CB-CG1 4.16Å |
| 210 | G | 91.7 | Very high | 95 | Very high | 20 Ų | 20 | 38.3 Ų | 38.3 | 21% | 0.206 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -1.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | S206 I207 F208 | S206-G210 PolarHBondContact O-N 3.08Å; S206-G210 VanDerWaalsContact O-N 3.15Å; I207-G210 WeakPolarHBondContact O-CA 3.41Å; I207-G210 PolarHBondContact O-N 2.77Å; I207-G210 VanDerWaalsContact O-N 3.14Å; F208-G210 PolarHBondContact O-N 3.12Å; F208-G210 VanDerWaalsContact O-N 3.15Å |
| 211 | G | 91.8 | Very high | 94.5 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 28% | 0.278 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | 7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | F208 E209 H246 C247 | F208-G211 PolarHBondContact O-N 2.73Å; E209-G211 VanDerWaalsContact C-N 3.25Å; E209-G211 PolarHBondContact O-N 3.14Å; G211-H246 WeakPolarHBondContact O-CA 3.28Å; G211-C247 PolarHBondContact O-N 3.37Å; G211-C247 VanDerWaalsContact O-N 3.08Å |
| 212 | V | 94.2 | Very high | 94.3 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 138.7 | 171.5 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | I207 F208 E214 T244 Q245 H246 | I207-V212 HydrophobicContact CG2-CB 4.1Å; I207-V212 HydrophobicContact CG2-CG1 4.26Å; I207-V212 HydrophobicContact CG2-CG2 3.78Å; I207-V212 WeakPolarHBondContact O-CB 3.41Å; I207-V212 WeakPolarHBondContact O-CG2 3.4Å; F208-V212 HydrophobicContact CD1-CB 4.13Å; F208-V212 HydrophobicContact CD1-CG1 3.91Å; F208-V212 WeakPolarHBondContact CD1-O 3.18Å; F208-V212 HydrophobicContact CE1-CG1 3.92Å; V212-E214 WeakPolarHBondContact CG1-O 3.38Å; V212-T244 HydrophobicContact CG1-CG2 4.05Å; V212-T244 HydrophobicContact CG2-CG2 4.13Å; V212-Q245 CarbonylContact C-O 3.52Å; V212-Q245 WeakPolarHBondContact CA-O 3.48Å; V212-H246 WeakPolarHBondContact CG2-CE1 3.24Å |
| 213 | I | 93.8 | Very high | 94.1 | Very high | 67 Ų | 67 | 48.3 Ų | 48.3 | 34% | 0.344 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -41 | 170.8 | 49.9 | 161.6 | 0 | 0 | 0 | 112.5 | R155 Q245 C247 | R155-I213 PolarHBondContact NH1-O 3.35Å; I213-Q245 HydrophobicContact CD1-CG 4.11Å; I213-Q245 HydrophobicContact CG1-CB 4.14Å; I213-Q245 HydrophobicContact CG1-CG 4.16Å; I213-Q245 VanDerWaalsContact CG1-O 3.26Å; I213-Q245 WeakPolarHBondContact CG1-O 3.37Å; I213-Q245 PolarHBondContact N-O 3.37Å; I213-C247 HydrophobicContact CG2-CB 4.07Å; I213-C247 VanDerWaalsContact CG2-SG 3.52Å |
| 214 | E | 95.1 | Very high | 93.8 | Very high | 58 Ų | 58 | 51.2 Ų | 51.2 | 27% | 0.271 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 138.7 | 179.8 | -170.8 | -179.9 | -155.5 | 0 | 0 | 110.8 | Q153 V212 Y216 T244 Q245 | Q153-E214 PolarHBondContact NE2-OE1 3.3Å; V212-E214 WeakPolarHBondContact CG1-O 3.38Å; E214-Y216 HydrophobicContact CG-CD1 3.95Å; E214-Y216 HydrophobicContact CG-CE1 4.24Å; E214-T244 CarbonylContact O-C 3.57Å; E214-T244 VanDerWaalsContact O-CA 3.3Å; E214-T244 WeakPolarHBondContact O-CA 3.46Å; E214-Q245 HydrophobicContact CB-CB 4.24Å; E214-Q245 PolarHBondContact O-N 3.45Å |
| 215 | L | 97.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 131.4 | 174.8 | 167.6 | 65.2 | 0 | 0 | 0 | 109.1 | L152 F204 I207 F208 Y217 M242 V243 T244 | L152-L215 HydrophobicContact CD1-CD2 4.11Å; L152-L215 HydrophobicContact CD1-CG 4.16Å; F204-L215 HydrophobicContact CD1-CD2 4.03Å; F204-L215 HydrophobicContact CE1-CD2 4.4Å; I207-L215 HydrophobicContact CD1-CD2 3.87Å; I207-L215 HydrophobicContact CG2-CD2 4.45Å; F208-L215 HydrophobicContact CE1-CB 3.98Å; F208-L215 HydrophobicContact CE2-CB 4.46Å; F208-L215 HydrophobicContact CE2-CD2 4.15Å; F208-L215 HydrophobicContact CZ-CB 3.59Å; F208-L215 HydrophobicContact CZ-CD2 4.07Å; F208-L215 HydrophobicContact CZ-CG 4.47Å; L215-Y217 HydrophobicContact CD1-CE2 4.24Å; L215-Y217 HydrophobicContact CD2-CE2 4.48Å; L215-Y217 HydrophobicContact CG-CE2 4.36Å; L215-M242 HydrophobicContact CD1-CE 3.69Å; L215-M242 HydrophobicContact CD1-CG 3.82Å; L215-M242 HydrophobicContact CD1-SD 4.47Å; L215-V243 WeakPolarHBondContact CA-O 3.44Å; L215-T244 HydrophobicContact CB-CG2 4.4Å; L215-T244 HydrophobicContact CD1-CG2 3.57Å |
| 216 | Y | 97.4 | Very high | 93 | Very high | 66 Ų | 66 | 53.5 Ų | 53.5 | 26% | 0.259 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 158.8 | 168.8 | 56.4 | -96.7 | 0 | 0 | 0 | 112.2 | N149 E214 I218 V243 | N149-Y216 WeakPolarHBondContact OD1-CA 3.42Å; E214-Y216 HydrophobicContact CG-CD1 3.95Å; E214-Y216 HydrophobicContact CG-CE1 4.24Å; Y216-I218 HydrophobicContact CD2-CD1 4.5Å; Y216-I218 HydrophobicContact CD2-CG1 3.97Å; Y216-I218 HydrophobicContact CE2-CD1 3.92Å; Y216-I218 HydrophobicContact CE2-CG1 3.9Å; Y216-V243 HydrophobicContact CD2-CB 4.05Å; Y216-V243 HydrophobicContact CD2-CG2 4.27Å; Y216-V243 HydrophobicContact CE1-CB 4.27Å; Y216-V243 HydrophobicContact CE1-CG1 4.32Å; Y216-V243 HydrophobicContact CE2-CB 3.52Å; Y216-V243 HydrophobicContact CE2-CG1 4.12Å; Y216-V243 HydrophobicContact CE2-CG2 3.62Å; Y216-V243 PolarHBondContact N-O 3.39Å; Y216-V243 VanDerWaalsContact N-O 3.11Å; Y216-V243 PolarHBondContact O-N 2.78Å |
| 217 | Y | 97.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.7 | 177.5 | -62.6 | -90.2 | 0 | 0 | 0 | 110.7 | M148 N149 F204 L215 T240 S241 M242 W284 | M148-Y217 HydrophobicContact CE-CD2 3.5Å; M148-Y217 HydrophobicContact CE-CE2 3.82Å; M148-Y217 HydrophobicContact CE-CG 4.44Å; N149-Y217 PolarHBondContact ND2-O 2.9Å; N149-Y217 PolarHBondContact OD1-N 3.49Å; F204-Y217 HydrophobicContact CE1-CE2 4.3Å; L215-Y217 HydrophobicContact CD1-CE2 4.24Å; L215-Y217 HydrophobicContact CD2-CE2 4.48Å; L215-Y217 HydrophobicContact CG-CE2 4.36Å; Y217-T240 HydrophobicContact CD1-CG2 4.41Å; Y217-S241 WeakPolarHBondContact CA-O 3.36Å; Y217-M242 HydrophobicContact CD1-CB 3.75Å; Y217-M242 HydrophobicContact CD1-CG 4.1Å; Y217-M242 HydrophobicContact CE1-CB 3.57Å; Y217-M242 HydrophobicContact CE1-CG 3.53Å; Y217-M242 HydrophobicContact CE1-SD 3.8Å; Y217-W284 HydrophobicContact CD1-CH2 4.24Å; Y217-W284 AromaticContact CD1-CZ2 3.94Å; Y217-W284 HydrophobicContact CD1-CZ2 3.94Å; Y217-W284 HydrophobicContact CD2-CH2 4.12Å; Y217-W284 HydrophobicContact CD2-CZ2 4.4Å; Y217-W284 HydrophobicContact CE1-CH2 4.31Å; Y217-W284 AromaticContact CE1-CZ2 3.67Å; Y217-W284 HydrophobicContact CE1-CZ2 3.67Å; Y217-W284 HydrophobicContact CE2-CH2 4.2Å; Y217-W284 HydrophobicContact CE2-CZ2 4.15Å; Y217-W284 HydrophobicContact CG-CH2 4.15Å; Y217-W284 HydrophobicContact CG-CZ2 4.3Å; Y217-W284 AromaticContact CZ-CZ2 3.79Å |
| 218 | I | 96.5 | Very high | 91.2 | Very high | 60 Ų | 60 | 64.4 Ų | 64.4 | 31% | 0.308 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 112.4 | 170.2 | -55.5 | 175.4 | 0 | 0 | 0 | 108.3 | Y216 R220 T240 S241 V243 | Y216-I218 HydrophobicContact CD2-CD1 4.5Å; Y216-I218 HydrophobicContact CD2-CG1 3.97Å; Y216-I218 HydrophobicContact CE2-CD1 3.92Å; Y216-I218 HydrophobicContact CE2-CG1 3.9Å; I218-R220 HydrophobicContact CG2-CG 4.1Å; I218-T240 CarbonylContact O-C 3.55Å; I218-T240 VanDerWaalsContact O-CA 3.31Å; I218-T240 WeakPolarHBondContact O-CA 3.37Å; I218-S241 PolarHBondContact N-O 3.05Å; I218-S241 PolarHBondContact O-N 3.48Å; I218-V243 HydrophobicContact CD1-CG2 4.34Å |
| 219 | T | 94.4 | Very high | 90.2 | Very high | 30 Ų | 30 | 69.4 Ų | 69.4 | 18% | 0.184 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 140.3 | 167.6 | 53.1 | 0 | 0 | 0 | 0 | 110.5 | D142 I145 T222 C237 T240 L260 | D142-T219 WeakPolarHBondContact OD1-CB 3.32Å; D142-T219 PolarHBondContact OD1-OG1 3.06Å; I145-T219 HydrophobicContact CG2-CG2 4.3Å; T219-T222 HydrophobicContact CG2-CG2 4.34Å; T219-C237 HydrophobicContact CG2-CB 4.37Å; T219-T240 HydrophobicContact CG2-CG2 4.38Å; T219-L260 HydrophobicContact CG2-CD2 4.27Å |
| 220 | R | 91.9 | Very high | 89.3 | Confident | 142 Ų | 142 | 67.2 Ų | 67.2 | 54% | 0.536 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 139.2 | 174.1 | -59.2 | -177.4 | -178 | 172.7 | 3.5 | 110.7 | I218 T222 C237 H239 | I218-R220 HydrophobicContact CG2-CG 4.1Å; R220-T222 VanDerWaalsContact C-N 3.33Å; R220-T222 PolarHBondContact O-N 3.16Å; R220-C237 PolarHBondContact N-SG 3.3Å; R220-C237 PolarHBondContact O-SG 3.21Å; R220-H239 HydrophobicContact CB-CB 4.15Å; R220-H239 PolarHBondContact N-O 3.29Å; R220-H239 VanDerWaalsContact N-O 3.08Å |
| 221 | C | 86.5 | Confident | 88.8 | Confident | 115 Ų | 115 | 69.5 Ų | 69.5 | 78% | 0.777 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 53.4 | 47 | 177.3 | -57.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 222 | T | 91.1 | Very high | 88.5 | Confident | 40 Ų | 40 | 68.2 Ų | 68.2 | 25% | 0.245 | 35% | 0.347 | C | S | . | . | trans | -62.7 | 147.4 | 179 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | D142 T219 R220 L235 C237 | D142-T222 WeakPolarHBondContact OD1-CG2 2.99Å; D142-T222 WeakPolarHBondContact OD2-CB 3.36Å; D142-T222 PolarHBondContact OD2-OG1 3.04Å; T219-T222 HydrophobicContact CG2-CG2 4.34Å; R220-T222 VanDerWaalsContact C-N 3.33Å; R220-T222 PolarHBondContact O-N 3.16Å; T222-L235 HydrophobicContact CG2-CD1 4.34Å; T222-L235 HydrophobicContact CG2-CD2 4.25Å; T222-L235 HydrophobicContact CG2-CG 4.36Å; T222-C237 HydrophobicContact CG2-CB 3.83Å | ||
| 223 | R | 91.1 | Very high | 88.3 | Confident | 155 Ų | 155 | 68 Ų | 68 | 59% | 0.585 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 115.6 | 176.9 | -63.6 | 176.1 | 63.1 | -142.9 | -1.7 | 108.8 | D236 | R223-D236 HydrophobicContact CB-CB 4.46Å; R223-D236 PolarHBondContact N-O 3.41Å; R223-D236 IonicContact NH1-OD2 3.77Å; R223-D236 PolarHBondContact O-N 2.89Å |
| 224 | E | 90.7 | Very high | 88.3 | Confident | 62 Ų | 62 | 67.1 Ų | 67.1 | 29% | 0.29 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 128 | 173.3 | -60.6 | -178.7 | 159.4 | 0 | 0 | 109.9 | L141 F226 V233 I234 | L141-E224 WeakPolarHBondContact CB-OE1 3.12Å; L141-E224 HydrophobicContact CD1-CG 4.26Å; L141-E224 PolarHBondContact N-OE1 3.34Å; L141-E224 VanDerWaalsContact N-OE1 3.08Å; E224-F226 HydrophobicContact CB-CE2 4.44Å; E224-V233 HydrophobicContact CB-CG1 4.27Å; E224-I234 CarbonylContact C-O 3.44Å; E224-I234 WeakPolarHBondContact CA-O 3.46Å |
| 225 | T | 89.1 | Confident | 88.2 | Confident | 65 Ų | 65 | 64.3 Ų | 64.3 | 40% | 0.399 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.9 | 170.6 | 52.3 | 0 | 0 | 0 | 0 | 110.7 | I234 | T225-I234 PolarHBondContact N-O 3.11Å; T225-I234 PolarHBondContact O-N 3.36Å |
| 226 | F | 84.6 | Confident | 88.1 | Confident | 71 Ų | 71 | 65.3 Ų | 65.3 | 31% | 0.311 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 124.9 | -178.2 | -65.6 | -96.6 | 0 | 0 | 0 | 109.7 | L135 E224 V233 | L135-F226 HydrophobicContact CD1-CD1 3.53Å; L135-F226 HydrophobicContact CD1-CE1 3.71Å; L135-F226 HydrophobicContact CD2-CE1 4.33Å; E224-F226 HydrophobicContact CB-CE2 4.44Å; F226-V233 HydrophobicContact CD1-CB 4.43Å; F226-V233 HydrophobicContact CD1-CG1 4.23Å; F226-V233 HydrophobicContact CD1-CG2 3.32Å; F226-V233 HydrophobicContact CE1-CB 4.47Å; F226-V233 HydrophobicContact CE1-CG1 4.09Å; F226-V233 HydrophobicContact CE1-CG2 3.46Å; F226-V233 VanDerWaalsContact CE1-CG2 3.46Å; F226-V233 HydrophobicContact CG-CG1 4.49Å; F226-V233 HydrophobicContact CG-CG2 4.15Å; F226-V233 HydrophobicContact CZ-CG1 4.22Å; F226-V233 HydrophobicContact CZ-CG2 4.38Å |
| 227 | H | 78.4 | Confident | 88.1 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 46% | 0.463 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 122.8 | 179.6 | -166.5 | -93.4 | 0 | 0 | 0 | 111.1 | S230 N231 A232 | H227-S230 PolarHBondContact ND1-OG 3.05Å; H227-N231 PolarHBondContact O-N 3.44Å; H227-A232 PolarHBondContact N-O 3.28Å; H227-A232 PolarHBondContact O-N 2.77Å |
| 228 | Q | 75.8 | Confident | 88 | Confident | 134 Ų | 134 | 66.8 Ų | 66.8 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | 143.4 | 171.1 | -69.8 | -162 | -21.3 | 0 | 0 | 109.3 | ||
| 229 | P | 73.2 | Confident | 88 | Confident | 128 Ų | 128 | 69 Ų | 69 | 83% | 0.831 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -90.3 | -4.7 | 13.2 | 35.5 | -37.1 | 0 | 0 | 0 | 115.7 | N231 | P229-N231 PolarHBondContact O-N 2.89Š|
| 230 | S | 73.9 | Confident | 88.1 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 43% | 0.427 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -5.8 | -170.6 | 53.2 | 0 | 0 | 0 | 0 | 116.2 | H227 A232 | H227-S230 PolarHBondContact ND1-OG 3.05Å; S230-A232 PolarHBondContact O-N 3.15Å; S230-A232 VanDerWaalsContact O-N 3.13Å |
| 231 | N | 80.4 | Confident | 88.4 | Confident | 68 Ų | 68 | 61.2 Ų | 61.2 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 34.3 | -172.9 | -162.5 | 45.7 | 0 | 0 | 0 | 112.8 | H227 P229 F266 | H227-N231 PolarHBondContact O-N 3.44Å; P229-N231 PolarHBondContact O-N 2.89Å; N231-F266 WeakPolarHBondContact O-CD2 3.45Å |
| 232 | A | 85.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 149.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | H227 S230 E263 F264 | H227-A232 PolarHBondContact N-O 3.28Å; H227-A232 PolarHBondContact O-N 2.77Å; S230-A232 PolarHBondContact O-N 3.15Å; S230-A232 VanDerWaalsContact O-N 3.13Å; A232-E263 HydrophobicContact CB-CG 3.95Å; A232-E263 WeakPolarHBondContact CB-OE1 3.44Å; A232-F264 WeakPolarHBondContact CA-O 3.22Å |
| 233 | V | 90.4 | Very high | 89.2 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 124.4 | 175.6 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | L141 E224 F226 F264 F266 | L141-V233 HydrophobicContact CD1-CB 3.92Å; L141-V233 HydrophobicContact CD1-CG1 3.46Å; L141-V233 VanDerWaalsContact CD1-CG1 3.46Å; E224-V233 HydrophobicContact CB-CG1 4.27Å; F226-V233 HydrophobicContact CD1-CB 4.43Å; F226-V233 HydrophobicContact CD1-CG1 4.23Å; F226-V233 HydrophobicContact CD1-CG2 3.32Å; F226-V233 HydrophobicContact CE1-CB 4.47Å; F226-V233 HydrophobicContact CE1-CG1 4.09Å; F226-V233 HydrophobicContact CE1-CG2 3.46Å; F226-V233 VanDerWaalsContact CE1-CG2 3.46Å; F226-V233 HydrophobicContact CG-CG1 4.49Å; F226-V233 HydrophobicContact CG-CG2 4.15Å; F226-V233 HydrophobicContact CZ-CG1 4.22Å; F226-V233 HydrophobicContact CZ-CG2 4.38Å; V233-F264 PolarHBondContact N-O 2.87Å; V233-F264 PolarHBondContact O-N 3.21Å; V233-F266 HydrophobicContact CB-CE2 3.97Å; V233-F266 HydrophobicContact CG2-CD2 4.44Å; V233-F266 HydrophobicContact CG2-CE2 3.51Å; V233-F266 HydrophobicContact CG2-CZ 4.08Å |
| 234 | I | 92.9 | Very high | 89.5 | Confident | 47 Ų | 47 | 47 Ų | 47 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 122 | -179.9 | -61.2 | 167 | 0 | 0 | 0 | 107.8 | E224 T225 L261 C262 E263 | E224-I234 CarbonylContact C-O 3.44Å; E224-I234 WeakPolarHBondContact CA-O 3.46Å; T225-I234 PolarHBondContact N-O 3.11Å; T225-I234 PolarHBondContact O-N 3.36Å; I234-L261 HydrophobicContact CG2-CD1 3.49Å; I234-L261 VanDerWaalsContact CG2-CD1 3.49Å; I234-L261 HydrophobicContact CG2-CG 4.39Å; I234-C262 CarbonylContact C-O 3.56Å; I234-C262 VanDerWaalsContact CA-O 3.31Å; I234-C262 WeakPolarHBondContact CA-O 3.48Å; I234-E263 HydrophobicContact CG1-CG 4.27Å |
| 235 | L | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 116.6 | 166.8 | 178.9 | 153.6 | 0 | 0 | 0 | 108 | L141 T222 C237 L261 C262 F264 | L141-L235 HydrophobicContact CB-CD1 3.69Å; L141-L235 HydrophobicContact CD1-CB 4.33Å; T222-L235 HydrophobicContact CG2-CD1 4.34Å; T222-L235 HydrophobicContact CG2-CD2 4.25Å; T222-L235 HydrophobicContact CG2-CG 4.36Å; L235-C237 HydrophobicContact CD2-CB 3.97Å; L235-L261 WeakPolarHBondContact O-CA 3.28Å; L235-C262 HydrophobicContact CB-CB 4.35Å; L235-C262 PolarHBondContact N-O 3.11Å; L235-C262 PolarHBondContact O-N 2.84Å; L235-F264 HydrophobicContact CB-CD2 4.43Å; L235-F264 HydrophobicContact CB-CE2 4.03Å; L235-F264 HydrophobicContact CD1-CE2 4.37Å |
| 236 | D | 95.6 | Very high | 89.9 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 12% | 0.118 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 113.5 | 174.8 | -179.4 | 20.8 | 0 | 0 | 0 | 109.2 | R223 R259 L261 | R223-D236 HydrophobicContact CB-CB 4.46Å; R223-D236 PolarHBondContact N-O 3.41Å; R223-D236 IonicContact NH1-OD2 3.77Å; R223-D236 PolarHBondContact O-N 2.89Å; D236-R259 IonicContact OD1-CZ 3.23Å; D236-R259 VanDerWaalsContact OD1-CZ 3.27Å; D236-R259 IonicContact OD1-NE 2.66Å; D236-R259 PolarHBondContact OD1-NE 3.35Å; D236-R259 IonicContact OD1-NH2 2.95Å; D236-R259 PolarHBondContact OD1-NH2 2.91Å; D236-R259 IonicContact OD2-CZ 2.69Å; D236-R259 IonicContact OD2-NE 3.08Å; D236-R259 IonicContact OD2-NH2 2.77Å; D236-R259 PolarHBondContact OD2-NH2 2.95Å; D236-L261 HydrophobicContact CB-CD1 3.97Å |
| 237 | C | 95.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 102.2 | 179.9 | -175.3 | 0 | 0 | 0 | 0 | 110.4 | T219 R220 T222 L235 H239 T240 R259 L260 | T219-C237 HydrophobicContact CG2-CB 4.37Å; R220-C237 PolarHBondContact N-SG 3.3Å; R220-C237 PolarHBondContact O-SG 3.21Å; T222-C237 HydrophobicContact CG2-CB 3.83Å; L235-C237 HydrophobicContact CD2-CB 3.97Å; C237-H239 PolarHBondContact O-N 3.19Å; C237-H239 PolarHBondContact SG-O 2.99Å; C237-T240 WeakPolarHBondContact CB-OG1 3.5Å; C237-T240 PolarHBondContact O-OG1 3.14Å; C237-T240 PolarHBondContact SG-OG1 2.97Å; C237-R259 CarbonylContact O-C 3.5Å; C237-R259 WeakPolarHBondContact O-CA 3.39Å; C237-L260 HydrophobicContact CB-CB 4.48Å; C237-L260 PolarHBondContact N-O 3.13Å; C237-L260 PolarHBondContact O-N 2.7Å |
| 238 | E | 95.9 | Very high | 89.8 | Confident | 99 Ų | 99 | 46.1 Ų | 46.1 | 46% | 0.463 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | -23.6 | 179.5 | -177.3 | 160 | -146.4 | 0 | 0 | 114 | R289 | E238-R289 PolarHBondContact O-NH1 3.48Å; E238-R289 IonicContact OE1-CZ 3.25Å; E238-R289 IonicContact OE1-NH1 3.12Å; E238-R289 IonicContact OE1-NH2 3.44Å; E238-R289 PolarHBondContact OE1-NH2 3.41Å |
| 239 | H | 96 | Very high | 89.5 | Confident | 108 Ų | 108 | 43.4 Ų | 43.4 | 50% | 0.5 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 73.3 | -175.8 | -62.2 | 90.3 | 0 | 0 | 0 | 109.9 | R220 C237 | R220-H239 HydrophobicContact CB-CB 4.15Å; R220-H239 PolarHBondContact N-O 3.29Å; R220-H239 VanDerWaalsContact N-O 3.08Å; C237-H239 PolarHBondContact O-N 3.19Å; C237-H239 PolarHBondContact SG-O 2.99Å |
| 240 | T | 97.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128.1 | 172.1 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | Y217 I218 T219 C237 G258 L260 F286 | Y217-T240 HydrophobicContact CD1-CG2 4.41Å; I218-T240 CarbonylContact O-C 3.55Å; I218-T240 VanDerWaalsContact O-CA 3.31Å; I218-T240 WeakPolarHBondContact O-CA 3.37Å; T219-T240 HydrophobicContact CG2-CG2 4.38Å; C237-T240 WeakPolarHBondContact CB-OG1 3.5Å; C237-T240 PolarHBondContact O-OG1 3.14Å; C237-T240 PolarHBondContact SG-OG1 2.97Å; T240-G258 PolarHBondContact N-O 3.18Å; T240-G258 PolarHBondContact O-N 3.15Å; T240-G258 VanDerWaalsContact O-O 3.1Å; T240-L260 HydrophobicContact CG2-CB 3.9Å; T240-L260 HydrophobicContact CG2-CD2 4.11Å; T240-L260 WeakPolarHBondContact OG1-CB 3.34Å; T240-F286 HydrophobicContact CG2-CE2 4.05Å |
| 241 | S | 97.5 | Very high | 90.1 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 113.3 | 173.3 | -54.6 | 0 | 0 | 0 | 0 | 109.4 | Y217 I218 T256 D257 | Y217-S241 WeakPolarHBondContact CA-O 3.36Å; I218-S241 PolarHBondContact N-O 3.05Å; I218-S241 PolarHBondContact O-N 3.48Å; S241-T256 WeakPolarHBondContact CA-O 3.33Å; S241-D257 VanDerWaalsContact CB-OD1 3.23Å; S241-D257 WeakPolarHBondContact CB-OD1 3.34Å; S241-D257 PolarHBondContact OG-OD1 2.83Å |
| 242 | M | 98 | Very high | 90.6 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 113.2 | 165.3 | 172.7 | -177.5 | 166.3 | 0 | 0 | 107.9 | I207 L215 Y217 T244 T256 F286 L319 | I207-M242 HydrophobicContact CD1-CE 4.01Å; L215-M242 HydrophobicContact CD1-CE 3.69Å; L215-M242 HydrophobicContact CD1-CG 3.82Å; L215-M242 HydrophobicContact CD1-SD 4.47Å; Y217-M242 HydrophobicContact CD1-CB 3.75Å; Y217-M242 HydrophobicContact CD1-CG 4.1Å; Y217-M242 HydrophobicContact CE1-CB 3.57Å; Y217-M242 HydrophobicContact CE1-CG 3.53Å; Y217-M242 HydrophobicContact CE1-SD 3.8Å; M242-T244 HydrophobicContact CE-CG2 3.99Å; M242-T256 PolarHBondContact N-O 3.13Å; M242-T256 PolarHBondContact O-N 3.06Å; M242-F286 HydrophobicContact CB-CE1 3.8Å; M242-F286 HydrophobicContact CB-CZ 3.88Å; M242-F286 HydrophobicContact SD-CD1 4.5Å; M242-F286 HydrophobicContact SD-CE1 4.06Å; M242-L319 HydrophobicContact CE-CD2 4.28Å |
| 243 | V | 97.5 | Very high | 91 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.1 | -179.4 | -172 | 0 | 0 | 0 | 0 | 109.2 | L215 Y216 I218 Q255 | L215-V243 WeakPolarHBondContact CA-O 3.44Å; Y216-V243 HydrophobicContact CD2-CB 4.05Å; Y216-V243 HydrophobicContact CD2-CG2 4.27Å; Y216-V243 HydrophobicContact CE1-CB 4.27Å; Y216-V243 HydrophobicContact CE1-CG1 4.32Å; Y216-V243 HydrophobicContact CE2-CB 3.52Å; Y216-V243 HydrophobicContact CE2-CG1 4.12Å; Y216-V243 HydrophobicContact CE2-CG2 3.62Å; Y216-V243 PolarHBondContact N-O 3.39Å; Y216-V243 VanDerWaalsContact N-O 3.11Å; Y216-V243 PolarHBondContact O-N 2.78Å; I218-V243 HydrophobicContact CD1-CG2 4.34Å; V243-Q255 HydrophobicContact CG2-CG 4.34Å |
| 244 | T | 97 | Very high | 91.2 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.4 | 174.2 | 51 | 0 | 0 | 0 | 0 | 110.6 | I207 V212 E214 L215 M242 H246 V254 | I207-T244 HydrophobicContact CG2-CG2 4.2Å; V212-T244 HydrophobicContact CG1-CG2 4.05Å; V212-T244 HydrophobicContact CG2-CG2 4.13Å; E214-T244 CarbonylContact O-C 3.57Å; E214-T244 VanDerWaalsContact O-CA 3.3Å; E214-T244 WeakPolarHBondContact O-CA 3.46Å; L215-T244 HydrophobicContact CB-CG2 4.4Å; L215-T244 HydrophobicContact CD1-CG2 3.57Å; M242-T244 HydrophobicContact CE-CG2 3.99Å; T244-H246 PolarHBondContact O-CD2 2.83Å; T244-H246 PolarHBondContact OG1-NE2 3.46Å; T244-V254 PolarHBondContact N-O 2.94Å; T244-V254 PolarHBondContact O-N 3.26Å; T244-V254 PolarHBondContact OG1-O 3.17Å |
| 245 | Q | 94.7 | Very high | 91.4 | Very high | 58 Ų | 58 | 40.3 Ų | 40.3 | 27% | 0.271 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 127 | 170.6 | -170.6 | 175.3 | 45 | 0 | 0 | 109.4 | V212 I213 E214 | V212-Q245 CarbonylContact C-O 3.52Å; V212-Q245 WeakPolarHBondContact CA-O 3.48Å; I213-Q245 HydrophobicContact CD1-CG 4.11Å; I213-Q245 HydrophobicContact CG1-CB 4.14Å; I213-Q245 HydrophobicContact CG1-CG 4.16Å; I213-Q245 VanDerWaalsContact CG1-O 3.26Å; I213-Q245 WeakPolarHBondContact CG1-O 3.37Å; I213-Q245 PolarHBondContact N-O 3.37Å; E214-Q245 HydrophobicContact CB-CB 4.24Å; E214-Q245 PolarHBondContact O-N 3.45Å |
| 246 | H | 93.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 146.4 | -179.1 | -59.7 | -107.6 | 0 | 0 | 0 | 109.8 | G211 V212 T244 M251 T252 F314 | G211-H246 WeakPolarHBondContact O-CA 3.28Å; V212-H246 WeakPolarHBondContact CG2-CE1 3.24Å; T244-H246 PolarHBondContact O-CD2 2.83Å; T244-H246 PolarHBondContact OG1-NE2 3.46Å; H246-M251 CarbonylContact O-C 3.6Å; H246-M251 VanDerWaalsContact O-CA 3.28Å; H246-M251 WeakPolarHBondContact O-CA 3.42Å; H246-T252 PolarHBondContact N-O 3.22Å; H246-T252 PolarHBondContact O-N 2.68Å; H246-F314 HydrophobicContact CB-CE2 4.42Å; H246-F314 HydrophobicContact CB-CZ 4.03Å; H246-F314 AromaticContact CD2-CZ 3.81Å; H246-F314 AromaticContact CE1-CE2 3.77Å; H246-F314 AromaticContact CE1-CZ 3.89Å; H246-F314 AromaticContact CG-CE2 3.86Å; H246-F314 AromaticContact CG-CZ 3.55Å; H246-F314 AromaticContact ND1-CE2 3.45Å; H246-F314 WeakPolarHBondContact ND1-CE2 3.43Å; H246-F314 AromaticContact ND1-CZ 3.63Å |
| 247 | C | 85.3 | Confident | 91.7 | Very high | 59 Ų | 59 | 40.9 Ų | 40.9 | 40% | 0.399 | 21% | 0.208 | S | C | . | . | trans | -94.7 | -22.8 | 173 | -97.5 | 0 | 0 | 0 | 0 | 113.5 | G211 I213 F250 | G211-C247 PolarHBondContact O-N 3.37Å; G211-C247 VanDerWaalsContact O-N 3.08Å; I213-C247 HydrophobicContact CG2-CB 4.07Å; I213-C247 VanDerWaalsContact CG2-SG 3.52Å; C247-F250 CarbonylContact C-O 3.54Å | ||
| 248 | K | 76.7 | Confident | 91.8 | Very high | 163 Ų | 163 | 41 Ų | 41 | 71% | 0.709 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -134.6 | 145.2 | -176.5 | -64.5 | 179.2 | -178.8 | 176.1 | 0 | 108.9 | F250 | K248-F250 VanDerWaalsContact C-N 3.31Š|
| 249 | P | 68.4 | Low | 91.9 | Very high | 76 Ų | 76 | 40.7 Ų | 40.7 | 49% | 0.494 | 20% | 0.204 | S | C | . | . | S | Bend | cis | -70.7 | -23.8 | -2.2 | 28.8 | -34.6 | 0 | 0 | 0 | 113.3 | ||
| 250 | F | 74.8 | Confident | 91.9 | Very high | 42 Ų | 42 | 35.6 Ų | 35.6 | 18% | 0.184 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -133.5 | 169.8 | 176.3 | -51.9 | -69.3 | 0 | 0 | 0 | 109.4 | C247 K248 T252 I299 F306 L310 | C247-F250 CarbonylContact C-O 3.54Å; K248-F250 VanDerWaalsContact C-N 3.31Å; F250-T252 PolarHBondContact O-N 3.11Å; F250-I299 HydrophobicContact CB-CD1 3.54Å; F250-I299 HydrophobicContact CD1-CD1 3.77Å; F250-I299 HydrophobicContact CD2-CD1 4.36Å; F250-I299 HydrophobicContact CG-CD1 3.6Å; F250-F306 HydrophobicContact CD1-CZ 4.39Å; F250-F306 AromaticContact CE1-CE2 3.81Å; F250-F306 HydrophobicContact CE1-CE2 3.81Å; F250-F306 AromaticContact CE1-CZ 3.49Å; F250-F306 HydrophobicContact CE1-CZ 3.49Å; F250-F306 VanDerWaalsContact CE1-CZ 3.49Å; F250-F306 AromaticContact CZ-CE2 3.72Å; F250-F306 HydrophobicContact CZ-CE2 3.72Å; F250-F306 AromaticContact CZ-CZ 3.71Å; F250-F306 HydrophobicContact CZ-CZ 3.71Å; F250-L310 HydrophobicContact CD1-CD2 4.42Å; F250-L310 HydrophobicContact CD2-CD2 3.37Å; F250-L310 HydrophobicContact CE1-CD2 4.36Å; F250-L310 HydrophobicContact CE2-CD2 3.29Å; F250-L310 HydrophobicContact CE2-CG 4.41Å; F250-L310 HydrophobicContact CG-CD2 3.98Å; F250-L310 HydrophobicContact CZ-CD2 3.82Å |
| 251 | M | 84.5 | Confident | 91.9 | Very high | 113 Ų | 113 | 38.3 Ų | 38.3 | 56% | 0.557 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -74.2 | 54.5 | 177.5 | -66.3 | -175.7 | 74.6 | 0 | 0 | 112.5 | H246 P296 | H246-M251 CarbonylContact O-C 3.6Å; H246-M251 VanDerWaalsContact O-CA 3.28Å; H246-M251 WeakPolarHBondContact O-CA 3.42Å; M251-P296 HydrophobicContact CB-CG 4.26Å; M251-P296 WeakPolarHBondContact O-CD 3.13Å; M251-P296 WeakPolarHBondContact O-CG 3.24Å |
| 252 | T | 90.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | trans | -83.2 | 135.3 | -172.4 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | H246 F250 V254 E293 Y294 I295 F314 | H246-T252 PolarHBondContact N-O 3.22Å; H246-T252 PolarHBondContact O-N 2.68Å; F250-T252 PolarHBondContact O-N 3.11Å; T252-V254 HydrophobicContact CG2-CG2 4.26Å; T252-E293 HydrophobicContact CG2-CB 4.06Å; T252-Y294 WeakPolarHBondContact CG2-O 3.41Å; T252-I295 HydrophobicContact CG2-CG1 4.3Å; T252-F314 HydrophobicContact CG2-CE1 3.92Å | ||
| 253 | S | 94.1 | Very high | 91.7 | Very high | 36 Ų | 36 | 40.3 Ų | 40.3 | 25% | 0.252 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 121.7 | 170.6 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | Y294 | S253-Y294 PolarHBondContact N-O 2.86Å; S253-Y294 WeakPolarHBondContact O-CB 3.37Å; S253-Y294 PolarHBondContact O-N 2.95Å |
| 254 | V | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 115.7 | 179.4 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | T244 T252 N292 E293 F314 T315 | T244-V254 PolarHBondContact N-O 2.94Å; T244-V254 PolarHBondContact O-N 3.26Å; T244-V254 PolarHBondContact OG1-O 3.17Å; T252-V254 HydrophobicContact CG2-CG2 4.26Å; V254-N292 WeakPolarHBondContact CA-O 3.44Å; V254-E293 HydrophobicContact CG1-CG 4.27Å; V254-E293 HydrophobicContact CG2-CB 4.38Å; V254-E293 HydrophobicContact CG2-CG 3.97Å; V254-F314 HydrophobicContact CG2-CE1 4.02Å; V254-F314 HydrophobicContact CG2-CZ 3.84Å; V254-T315 HydrophobicContact CG1-CG2 4.21Å; V254-T315 HydrophobicContact CG2-CG2 4.03Å |
| 255 | Q | 97.1 | Very high | 91.1 | Very high | 48 Ų | 48 | 40.1 Ų | 40.1 | 22% | 0.224 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 121.8 | 175.1 | -178.1 | 178.9 | -47.1 | 0 | 0 | 109.3 | V243 D257 H291 N292 Y294 | V243-Q255 HydrophobicContact CG2-CG 4.34Å; Q255-D257 VanDerWaalsContact NE2-CG 3.33Å; Q255-D257 PolarHBondContact NE2-OD1 2.87Å; Q255-D257 PolarHBondContact NE2-OD2 2.85Å; Q255-H291 CarbonylContact O-C 3.47Å; Q255-H291 VanDerWaalsContact O-CA 3.26Å; Q255-H291 WeakPolarHBondContact O-CA 3.46Å; Q255-N292 PolarHBondContact N-O 3.35Å; Q255-N292 PolarHBondContact O-N 2.78Å; Q255-Y294 HydrophobicContact CB-CD2 4.43Å; Q255-Y294 HydrophobicContact CB-CE2 3.8Å |
| 256 | T | 98 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 109.7 | -179.2 | -49.8 | 0 | 0 | 0 | 0 | 108.3 | S241 M242 F286 I288 H291 G318 | S241-T256 WeakPolarHBondContact CA-O 3.33Å; M242-T256 PolarHBondContact N-O 3.13Å; M242-T256 PolarHBondContact O-N 3.06Å; T256-F286 HydrophobicContact CG2-CE1 4.15Å; T256-F286 HydrophobicContact CG2-CZ 4.48Å; T256-I288 HydrophobicContact CG2-CB 4.22Å; T256-I288 HydrophobicContact CG2-CD1 3.87Å; T256-I288 HydrophobicContact CG2-CG1 3.8Å; T256-I288 HydrophobicContact CG2-CG2 3.44Å; T256-I288 VanDerWaalsContact CG2-CG2 3.44Å; T256-H291 HydrophobicContact CG2-CB 4.48Å; T256-G318 WeakPolarHBondContact OG1-CA 3.27Å |
| 257 | D | 97.8 | Very high | 89.4 | Confident | 34 Ų | 34 | 39.8 Ų | 39.8 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 134 | -173.8 | -67.3 | -46.1 | 0 | 0 | 0 | 111.1 | S241 Q255 R289 T290 | S241-D257 VanDerWaalsContact CB-OD1 3.23Å; S241-D257 WeakPolarHBondContact CB-OD1 3.34Å; S241-D257 PolarHBondContact OG-OD1 2.83Å; Q255-D257 VanDerWaalsContact NE2-CG 3.33Å; Q255-D257 PolarHBondContact NE2-OD1 2.87Å; Q255-D257 PolarHBondContact NE2-OD2 2.85Å; D257-R289 PolarHBondContact O-N 3.44Å; D257-T290 PolarHBondContact N-O 2.86Å; D257-T290 PolarHBondContact O-N 3.31Å |
| 258 | G | 97.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | -178.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | T240 L287 | T240-G258 PolarHBondContact N-O 3.18Å; T240-G258 PolarHBondContact O-N 3.15Å; T240-G258 VanDerWaalsContact O-O 3.1Å; G258-L287 CarbonylContact C-O 3.5Å; G258-L287 WeakPolarHBondContact CA-O 3.34Å |
| 259 | R | 97.5 | Very high | 87.7 | Confident | 93 Ų | 93 | 35.5 Ų | 35.5 | 35% | 0.351 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 126.6 | 169.8 | 176.3 | 174.8 | -174.7 | -160.8 | 5.4 | 109 | D236 C237 L287 | D236-R259 IonicContact OD1-CZ 3.23Å; D236-R259 VanDerWaalsContact OD1-CZ 3.27Å; D236-R259 IonicContact OD1-NE 2.66Å; D236-R259 PolarHBondContact OD1-NE 3.35Å; D236-R259 IonicContact OD1-NH2 2.95Å; D236-R259 PolarHBondContact OD1-NH2 2.91Å; D236-R259 IonicContact OD2-CZ 2.69Å; D236-R259 IonicContact OD2-NE 3.08Å; D236-R259 IonicContact OD2-NH2 2.77Å; D236-R259 PolarHBondContact OD2-NH2 2.95Å; C237-R259 CarbonylContact O-C 3.5Å; C237-R259 WeakPolarHBondContact O-CA 3.39Å; R259-L287 HydrophobicContact CB-CB 4.41Å; R259-L287 PolarHBondContact N-O 2.85Å; R259-L287 PolarHBondContact O-N 2.99Å |
| 260 | L | 97.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 127.1 | 171 | -177.8 | 64 | 0 | 0 | 0 | 109.3 | T219 C237 T240 W284 H285 F286 | T219-L260 HydrophobicContact CG2-CD2 4.27Å; C237-L260 HydrophobicContact CB-CB 4.48Å; C237-L260 PolarHBondContact N-O 3.13Å; C237-L260 PolarHBondContact O-N 2.7Å; T240-L260 HydrophobicContact CG2-CB 3.9Å; T240-L260 HydrophobicContact CG2-CD2 4.11Å; T240-L260 WeakPolarHBondContact OG1-CB 3.34Å; L260-W284 HydrophobicContact CD1-CD2 3.89Å; L260-W284 VanDerWaalsContact CD1-CE2 3.46Å; L260-W284 HydrophobicContact CD1-CE3 4.4Å; L260-W284 HydrophobicContact CD1-CG 4.36Å; L260-W284 HydrophobicContact CD1-CH2 4.11Å; L260-W284 HydrophobicContact CD1-CZ2 3.58Å; L260-W284 HydrophobicContact CD2-CH2 3.86Å; L260-W284 HydrophobicContact CD2-CZ2 4.07Å; L260-W284 HydrophobicContact CD2-CZ3 4.32Å; L260-H285 WeakPolarHBondContact CA-O 3.47Å; L260-F286 HydrophobicContact CB-CD2 4.26Å; L260-F286 HydrophobicContact CD1-CB 4.16Å; L260-F286 HydrophobicContact CD1-CD2 4.39Å |
| 261 | L | 96.9 | Very high | 86.5 | Confident | 59 Ų | 59 | 39.2 Ų | 39.2 | 31% | 0.309 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 115.1 | 170.6 | -176.8 | 71.8 | 0 | 0 | 0 | 107.8 | I234 L235 D236 H285 | I234-L261 HydrophobicContact CG2-CD1 3.49Å; I234-L261 VanDerWaalsContact CG2-CD1 3.49Å; I234-L261 HydrophobicContact CG2-CG 4.39Å; L235-L261 WeakPolarHBondContact O-CA 3.28Å; D236-L261 HydrophobicContact CB-CD1 3.97Å; L261-H285 HydrophobicContact CB-CB 4.34Å; L261-H285 PolarHBondContact N-O 2.91Å; L261-H285 PolarHBondContact O-N 3.34Å |
| 262 | C | 95.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 132.6 | 178 | -71.4 | 0 | 0 | 0 | 0 | 110.6 | I234 L235 F264 T283 | I234-C262 CarbonylContact C-O 3.56Å; I234-C262 VanDerWaalsContact CA-O 3.31Å; I234-C262 WeakPolarHBondContact CA-O 3.48Å; L235-C262 HydrophobicContact CB-CB 4.35Å; L235-C262 PolarHBondContact N-O 3.11Å; L235-C262 PolarHBondContact O-N 2.84Å; C262-F264 HydrophobicContact CB-CD2 4.17Å; C262-F264 HydrophobicContact CB-CE2 3.62Å; C262-F264 HydrophobicContact CB-CZ 4.3Å; C262-T283 CarbonylContact C-O 3.56Å; C262-T283 WeakPolarHBondContact CA-O 3.31Å |
| 263 | E | 94.9 | Very high | 83.8 | Confident | 49 Ų | 49 | 46 Ų | 46 | 23% | 0.229 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120.6 | 165.7 | -172 | -171.9 | 155.1 | 0 | 0 | 108.8 | A232 I234 R282 T283 | A232-E263 HydrophobicContact CB-CG 3.95Å; A232-E263 WeakPolarHBondContact CB-OE1 3.44Å; I234-E263 HydrophobicContact CG1-CG 4.27Å; E263-R282 PolarHBondContact O-N 2.96Å; E263-T283 PolarHBondContact N-O 2.76Å; E263-T283 PolarHBondContact O-N 2.76Å; E263-T283 PolarHBondContact OE2-OG1 2.87Å |
| 264 | F | 93.1 | Very high | 82 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.3 | 174.4 | -68.9 | -94.8 | 0 | 0 | 0 | 110.3 | L141 K144 I145 A232 V233 L235 C262 F266 P279 R280 I281 | L141-F264 HydrophobicContact CB-CD2 4.42Å; L141-F264 HydrophobicContact CB-CE2 4.11Å; L141-F264 HydrophobicContact CB-CZ 4.46Å; L141-F264 HydrophobicContact CD1-CD2 3.71Å; L141-F264 HydrophobicContact CD1-CE2 4.17Å; L141-F264 HydrophobicContact CD1-CG 4.27Å; L141-F264 HydrophobicContact CD2-CB 4.08Å; L141-F264 HydrophobicContact CD2-CD1 3.99Å; L141-F264 HydrophobicContact CD2-CD2 3.86Å; L141-F264 HydrophobicContact CD2-CE1 4.34Å; L141-F264 HydrophobicContact CD2-CE2 4.22Å; L141-F264 HydrophobicContact CD2-CG 3.71Å; L141-F264 HydrophobicContact CD2-CZ 4.45Å; L141-F264 HydrophobicContact CG-CD2 4.21Å; L141-F264 HydrophobicContact CG-CE2 4.41Å; K144-F264 HydrophobicContact CB-CE1 4.08Å; K144-F264 HydrophobicContact CG-CE1 3.82Å; I145-F264 HydrophobicContact CD1-CZ 4.09Å; A232-F264 WeakPolarHBondContact CA-O 3.22Å; V233-F264 PolarHBondContact N-O 2.87Å; V233-F264 PolarHBondContact O-N 3.21Å; L235-F264 HydrophobicContact CB-CD2 4.43Å; L235-F264 HydrophobicContact CB-CE2 4.03Å; L235-F264 HydrophobicContact CD1-CE2 4.37Å; C262-F264 HydrophobicContact CB-CD2 4.17Å; C262-F264 HydrophobicContact CB-CE2 3.62Å; C262-F264 HydrophobicContact CB-CZ 4.3Å; F264-F266 HydrophobicContact CB-CE2 4.48Å; F264-P279 HydrophobicContact CB-CB 4.28Å; F264-P279 HydrophobicContact CD1-CB 3.95Å; F264-P279 HydrophobicContact CG-CB 4.46Å; F264-R280 CarbonylContact C-O 3.55Å; F264-R280 VanDerWaalsContact CA-O 3.31Å; F264-R280 WeakPolarHBondContact CA-O 3.4Å; F264-I281 HydrophobicContact CD1-CG1 3.81Å; F264-I281 HydrophobicContact CE1-CD1 4.04Å; F264-I281 HydrophobicContact CE1-CG1 3.36Å; F264-I281 HydrophobicContact CZ-CD1 4.23Å; F264-I281 HydrophobicContact CZ-CG1 3.86Å |
| 265 | A | 89.6 | Confident | 80 | Confident | 6 Ų | 6 | 55 Ų | 55 | 5% | 0.05 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 143.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | E175 P279 R280 R282 | E175-A265 HydrophobicContact CG-CB 3.75Å; A265-P279 WeakPolarHBondContact O-CA 3.26Å; A265-R280 PolarHBondContact N-O 3.06Å; A265-R280 PolarHBondContact O-N 3.42Å; A265-R282 HydrophobicContact CB-CB 4.31Å |
| 266 | F | 82.7 | Confident | 78.2 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 9% | 0.088 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 79.1 | 175.2 | -70.5 | -94.9 | 0 | 0 | 0 | 107.6 | L135 F139 L141 N231 V233 F264 F277 P279 | L135-F266 HydrophobicContact CD2-CD1 4.41Å; L135-F266 HydrophobicContact CD2-CD2 4.48Å; L135-F266 HydrophobicContact CD2-CE1 4.21Å; L135-F266 HydrophobicContact CD2-CE2 4.3Å; L135-F266 HydrophobicContact CD2-CZ 4.14Å; F139-F266 HydrophobicContact CD2-CD1 4.28Å; F139-F266 AromaticContact CD2-CE1 3.48Å; F139-F266 HydrophobicContact CD2-CE1 3.48Å; F139-F266 VanDerWaalsContact CD2-CE1 3.48Å; F139-F266 HydrophobicContact CD2-CZ 4.32Å; F139-F266 AromaticContact CE2-CD1 3.95Å; F139-F266 HydrophobicContact CE2-CD1 3.95Å; F139-F266 AromaticContact CE2-CE1 3.61Å; F139-F266 HydrophobicContact CE2-CE1 3.61Å; F139-F266 HydrophobicContact CG-CE1 4.04Å; F139-F266 HydrophobicContact CZ-CE1 4.33Å; L141-F266 HydrophobicContact CD2-CZ 4.46Å; N231-F266 WeakPolarHBondContact O-CD2 3.45Å; V233-F266 HydrophobicContact CB-CE2 3.97Å; V233-F266 HydrophobicContact CG2-CD2 4.44Å; V233-F266 HydrophobicContact CG2-CE2 3.51Å; V233-F266 HydrophobicContact CG2-CZ 4.08Å; F264-F266 HydrophobicContact CB-CE2 4.48Å; F266-F277 HydrophobicContact CB-CB 4.13Å; F266-F277 HydrophobicContact CB-CD1 4.39Å; F266-F277 HydrophobicContact CD1-CB 4.15Å; F266-F277 WeakPolarHBondContact O-CD1 3.44Å; F266-P279 HydrophobicContact CD1-CB 4.44Å; F266-P279 HydrophobicContact CE1-CB 3.9Å; F266-P279 HydrophobicContact CE1-CG 4.47Å; F266-P279 HydrophobicContact CZ-CB 4.02Å |
| 267 | S | 69.8 | Low | 77 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 22% | 0.217 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 137.3 | -178.2 | -164.5 | 0 | 0 | 0 | 0 | 110.5 | E175 V269 | E175-S267 WeakPolarHBondContact OE1-CB 3.49Å; S267-V269 PolarHBondContact O-N 2.79Å |
| 268 | P | 66.4 | Low | 76.2 | Confident | 92 Ų | 92 | 61.4 Ų | 61.4 | 60% | 0.597 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 119.1 | 169.9 | 28.8 | -32.4 | 0 | 0 | 0 | 109 | P270 F277 | P268-P270 WeakPolarHBondContact O-CD 3.46Å; P268-F277 HydrophobicContact CB-CE1 4.35Å |
| 269 | V | 60 | Low | 75.8 | Confident | 40 Ų | 40 | 61.9 Ų | 61.9 | 24% | 0.242 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 120.5 | -179.1 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | S267 G271 H272 I278 | S267-V269 PolarHBondContact O-N 2.79Å; V269-G271 PolarHBondContact O-N 2.78Å; V269-G271 VanDerWaalsContact O-N 3.12Å; V269-H272 HydrophobicContact CB-CB 4.43Å; V269-H272 PolarHBondContact O-N 3.09Å; V269-H272 VanDerWaalsContact O-N 3.09Å; V269-I278 HydrophobicContact CG2-CB 4Å; V269-I278 HydrophobicContact CG2-CD1 4Å; V269-I278 HydrophobicContact CG2-CG1 3.93Å |
| 270 | P | 57.3 | Low | 75.5 | Confident | 119 Ų | 119 | 58.4 Ų | 58.4 | 77% | 0.773 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 119.8 | 178.4 | -24.4 | 34.9 | 0 | 0 | 0 | 111.2 | P268 | P268-P270 WeakPolarHBondContact O-CD 3.46Š|
| 271 | G | 60.2 | Low | 75.4 | Confident | 77 Ų | 77 | 58.4 Ų | 58.4 | 79% | 0.794 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.6 | -10.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | V269 | V269-G271 PolarHBondContact O-N 2.78Å; V269-G271 VanDerWaalsContact O-N 3.12Å |
| 272 | H | 60.3 | Low | 75.3 | Confident | 110 Ų | 110 | 59 Ų | 59 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | trans | -82.2 | 124.3 | 165.2 | -99.8 | -118.2 | 0 | 0 | 0 | 110.3 | V269 V274 | V269-H272 HydrophobicContact CB-CB 4.43Å; V269-H272 PolarHBondContact O-N 3.09Å; V269-H272 VanDerWaalsContact O-N 3.09Å; H272-V274 VanDerWaalsContact C-N 3.32Å | ||
| 273 | V | 57.4 | Low | 75.4 | Confident | 149 Ų | 149 | 60.8 Ų | 60.8 | 90% | 0.903 | 35% | 0.353 | S | S | * | . | trans | -84.5 | -10.5 | 179 | -174.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 274 | V | 56.6 | Low | 75.5 | Confident | 90 Ų | 90 | 58.5 Ų | 58.5 | 55% | 0.545 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -96.4 | 143.3 | 178.5 | -170.3 | 0 | 0 | 0 | 0 | 109 | H272 D276 | H272-V274 VanDerWaalsContact C-N 3.32Å; V274-D276 HydrophobicContact CG1-CB 4.4Å; V274-D276 WeakPolarHBondContact CG1-OD2 3.31Å; V274-D276 PolarHBondContact O-N 3.12Å |
| 275 | D | 53.3 | Low | 75.8 | Confident | 136 Ų | 136 | 60.7 Ų | 60.7 | 73% | 0.727 | 35% | 0.352 | S | S | * | . | trans | -65.5 | 30.8 | 173.2 | -67.7 | -53.1 | 0 | 0 | 0 | 113.9 | F277 | D275-F277 VanDerWaalsContact C-N 3.3Å; D275-F277 HydrophobicContact CB-CE2 4.46Å; D275-F277 VanDerWaalsContact O-CD2 3.24Å; D275-F277 WeakPolarHBondContact O-CD2 3.43Å; D275-F277 PolarHBondContact O-N 2.99Å | ||
| 276 | D | 60.7 | Low | 76.2 | Confident | 91 Ų | 91 | 60.4 Ų | 60.4 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | trans | -78.1 | 80.1 | 176.1 | -70.6 | -29 | 0 | 0 | 0 | 109.1 | V274 I278 | V274-D276 HydrophobicContact CG1-CB 4.4Å; V274-D276 WeakPolarHBondContact CG1-OD2 3.31Å; V274-D276 PolarHBondContact O-N 3.12Å; D276-I278 WeakPolarHBondContact O-CG1 3.26Å; D276-I278 PolarHBondContact O-N 2.91Å | ||
| 277 | F | 71.7 | Confident | 76.9 | Confident | 68 Ų | 68 | 62.5 Ų | 62.5 | 30% | 0.298 | 36% | 0.362 | S | S | . | . | trans | -60.4 | 95.9 | 169.7 | -68.2 | -84.6 | 0 | 0 | 0 | 110.2 | F139 F266 P268 D275 P279 | F139-F277 WeakPolarHBondContact CZ-O 3.1Å; F266-F277 HydrophobicContact CB-CB 4.13Å; F266-F277 HydrophobicContact CB-CD1 4.39Å; F266-F277 HydrophobicContact CD1-CB 4.15Å; F266-F277 WeakPolarHBondContact O-CD1 3.44Å; P268-F277 HydrophobicContact CB-CE1 4.35Å; D275-F277 VanDerWaalsContact C-N 3.3Å; D275-F277 HydrophobicContact CB-CE2 4.46Å; D275-F277 VanDerWaalsContact O-CD2 3.24Å; D275-F277 WeakPolarHBondContact O-CD2 3.43Å; D275-F277 PolarHBondContact O-N 2.99Å; F277-P279 WeakPolarHBondContact O-CD 3.44Å | ||
| 278 | I | 81.2 | Confident | 78.3 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 29% | 0.292 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 123.1 | 176.7 | -55.3 | -168.1 | 0 | 0 | 0 | 108.3 | V269 D276 R280 | V269-I278 HydrophobicContact CG2-CB 4Å; V269-I278 HydrophobicContact CG2-CD1 4Å; V269-I278 HydrophobicContact CG2-CG1 3.93Å; D276-I278 WeakPolarHBondContact O-CG1 3.26Å; D276-I278 PolarHBondContact O-N 2.91Å; I278-R280 PolarHBondContact O-N 2.94Å; I278-R280 VanDerWaalsContact O-N 3.13Å |
| 279 | P | 88.2 | Confident | 79.7 | Confident | 13 Ų | 13 | 62.5 Ų | 62.5 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 111.8 | 175 | 27.5 | -32.7 | 0 | 0 | 0 | 109.5 | F139 L141 K144 F264 A265 F266 F277 | F139-P279 HydrophobicContact CD1-CG 4.41Å; L141-P279 HydrophobicContact CD2-CB 3.94Å; L141-P279 HydrophobicContact CD2-CG 4.31Å; K144-P279 VanDerWaalsContact CE-O 3.27Å; K144-P279 WeakPolarHBondContact CE-O 3.47Å; K144-P279 HydrophobicContact CG-CG 4.48Å; F264-P279 HydrophobicContact CB-CB 4.28Å; F264-P279 HydrophobicContact CD1-CB 3.95Å; F264-P279 HydrophobicContact CG-CB 4.46Å; A265-P279 WeakPolarHBondContact O-CA 3.26Å; F266-P279 HydrophobicContact CD1-CB 4.44Å; F266-P279 HydrophobicContact CE1-CB 3.9Å; F266-P279 HydrophobicContact CE1-CG 4.47Å; F266-P279 HydrophobicContact CZ-CB 4.02Å; F277-P279 WeakPolarHBondContact O-CD 3.44Å |
| 280 | R | 92.1 | Very high | 81.4 | Confident | 19 Ų | 19 | 64.3 Ų | 64.3 | 7% | 0.072 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 152.4 | 170.3 | -52.6 | -170.4 | -65.4 | 173.2 | 1.4 | 110.1 | E175 D176 F264 A265 I278 R282 | E175-R280 HydrophobicContact CG-CB 4.07Å; E175-R280 WeakPolarHBondContact OE1-CB 3.3Å; E175-R280 IonicContact OE1-CZ 3.78Å; E175-R280 IonicContact OE1-NE 3.57Å; E175-R280 PolarHBondContact OE1-NE 2.93Å; E175-R280 IonicContact OE1-NH2 2.78Å; E175-R280 PolarHBondContact OE1-NH2 2.73Å; E175-R280 IonicContact OE2-CZ 3.62Å; E175-R280 IonicContact OE2-NE 2.96Å; E175-R280 IonicContact OE2-NH2 2.76Å; E175-R280 PolarHBondContact OE2-NH2 3.3Å; D176-R280 IonicContact OD2-CZ 3.34Å; D176-R280 IonicContact OD2-NH1 3.61Å; D176-R280 PolarHBondContact OD2-NH1 3.06Å; D176-R280 IonicContact OD2-NH2 3.27Å; D176-R280 PolarHBondContact OD2-NH2 3.35Å; F264-R280 CarbonylContact C-O 3.55Å; F264-R280 VanDerWaalsContact CA-O 3.31Å; F264-R280 WeakPolarHBondContact CA-O 3.4Å; A265-R280 PolarHBondContact N-O 3.06Å; A265-R280 PolarHBondContact O-N 3.42Å; I278-R280 PolarHBondContact O-N 2.94Å; I278-R280 VanDerWaalsContact O-N 3.13Å; R280-R282 PolarHBondContact O-N 3.49Å |
| 281 | I | 95.6 | Very high | 83.2 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 114.9 | -174.6 | -58.1 | 170.4 | 0 | 0 | 0 | 108.7 | I145 F173 F174 E175 A178 F264 T283 W284 | I145-I281 HydrophobicContact CD1-CD1 4.42Å; F173-I281 WeakPolarHBondContact O-CB 3.46Å; F173-I281 WeakPolarHBondContact O-CG1 2.97Å; F173-I281 PolarHBondContact O-N 3.38Å; F174-I281 WeakPolarHBondContact CA-O 3.31Å; F174-I281 HydrophobicContact CD1-CB 3.92Å; F174-I281 HydrophobicContact CD1-CG2 4.04Å; F174-I281 HydrophobicContact CE1-CB 4.19Å; F174-I281 HydrophobicContact CE1-CD1 4.48Å; F174-I281 HydrophobicContact CE1-CG2 4.02Å; F174-I281 HydrophobicContact CG-CB 4.49Å; E175-I281 PolarHBondContact N-O 2.87Å; A178-I281 VanDerWaalsContact CB-O 3.28Å; A178-I281 WeakPolarHBondContact CB-O 3.43Å; F264-I281 HydrophobicContact CD1-CG1 3.81Å; F264-I281 HydrophobicContact CE1-CD1 4.04Å; F264-I281 HydrophobicContact CE1-CG1 3.36Å; F264-I281 HydrophobicContact CZ-CD1 4.23Å; F264-I281 HydrophobicContact CZ-CG1 3.86Å; I281-T283 WeakPolarHBondContact CG2-O 2.98Å; I281-W284 HydrophobicContact CD1-CE3 3.81Å; I281-W284 HydrophobicContact CD1-CZ3 3.96Å; I281-W284 HydrophobicContact CG2-CB 4.06Å; I281-W284 HydrophobicContact CG2-CE3 4.39Å |
| 282 | R | 95.1 | Very high | 84.9 | Confident | 71 Ų | 71 | 60.1 Ų | 60.1 | 27% | 0.268 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -40.7 | 170.6 | 172.8 | 173.9 | -77.2 | 143.7 | -2.4 | 111.4 | E175 D177 A178 T179 E263 A265 R280 | E175-R282 HydrophobicContact CB-CB 4.49Å; E175-R282 HydrophobicContact CG-CB 4.26Å; D177-R282 IonicContact OD1-NE 2.73Å; D177-R282 PolarHBondContact OD1-NE 2.98Å; D177-R282 IonicContact OD1-NH2 3.35Å; D177-R282 IonicContact OD2-CZ 3.77Å; D177-R282 IonicContact OD2-NE 3.06Å; D177-R282 PolarHBondContact OD2-NE 3.32Å; D177-R282 IonicContact OD2-NH2 3.95Å; D177-R282 PolarHBondContact OD2-NH2 3.08Å; D177-R282 VanDerWaalsContact OD2-NH2 3.12Å; A178-R282 CarbonylContact C-O 3.55Å; A178-R282 WeakPolarHBondContact CA-O 3.36Å; T179-R282 PolarHBondContact N-O 2.9Å; E263-R282 PolarHBondContact O-N 2.96Å; A265-R282 HydrophobicContact CB-CB 4.31Å; R280-R282 PolarHBondContact O-N 3.49Å |
| 283 | T | 97.1 | Very high | 86.6 | Confident | 38 Ų | 38 | 56.5 Ų | 56.5 | 23% | 0.233 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 125.7 | 179.6 | -51.7 | 0 | 0 | 0 | 0 | 109 | C262 E263 I281 | C262-T283 CarbonylContact C-O 3.56Å; C262-T283 WeakPolarHBondContact CA-O 3.31Å; E263-T283 PolarHBondContact N-O 2.76Å; E263-T283 PolarHBondContact O-N 2.76Å; E263-T283 PolarHBondContact OE2-OG1 2.87Å; I281-T283 WeakPolarHBondContact CG2-O 2.98Å |
| 284 | W | 98 | Very high | 88.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 114.6 | 168.7 | 178.7 | -72.9 | 0 | 0 | 0 | 108.5 | I145 M148 F174 T179 L180 S181 Y217 L260 I281 | I145-W284 HydrophobicContact CD1-CH2 4.39Å; I145-W284 HydrophobicContact CD1-CZ3 3.87Å; M148-W284 HydrophobicContact CE-CH2 3.65Å; M148-W284 HydrophobicContact CE-CZ3 3.82Å; M148-W284 HydrophobicContact SD-CH2 4.44Å; M148-W284 HydrophobicContact SD-CZ3 4.06Å; F174-W284 HydrophobicContact CE1-CB 4.15Å; F174-W284 HydrophobicContact CE1-CE3 4.43Å; F174-W284 HydrophobicContact CZ-CE3 4.39Å; T179-W284 PolarHBondContact O-N 2.97Å; L180-W284 CarbonylContact C-O 3.52Å; L180-W284 WeakPolarHBondContact CA-O 3.47Å; L180-W284 HydrophobicContact CB-CB 4.48Å; L180-W284 HydrophobicContact CD1-CG 4.39Å; L180-W284 HydrophobicContact CG-CB 4.27Å; L180-W284 HydrophobicContact CG-CG 4.17Å; S181-W284 PolarHBondContact N-O 3.26Å; Y217-W284 HydrophobicContact CD1-CH2 4.24Å; Y217-W284 AromaticContact CD1-CZ2 3.94Å; Y217-W284 HydrophobicContact CD1-CZ2 3.94Å; Y217-W284 HydrophobicContact CD2-CH2 4.12Å; Y217-W284 HydrophobicContact CD2-CZ2 4.4Å; Y217-W284 HydrophobicContact CE1-CH2 4.31Å; Y217-W284 AromaticContact CE1-CZ2 3.67Å; Y217-W284 HydrophobicContact CE1-CZ2 3.67Å; Y217-W284 HydrophobicContact CE2-CH2 4.2Å; Y217-W284 HydrophobicContact CE2-CZ2 4.15Å; Y217-W284 HydrophobicContact CG-CH2 4.15Å; Y217-W284 HydrophobicContact CG-CZ2 4.3Å; Y217-W284 AromaticContact CZ-CZ2 3.79Å; L260-W284 HydrophobicContact CD1-CD2 3.89Å; L260-W284 VanDerWaalsContact CD1-CE2 3.46Å; L260-W284 HydrophobicContact CD1-CE3 4.4Å; L260-W284 HydrophobicContact CD1-CG 4.36Å; L260-W284 HydrophobicContact CD1-CH2 4.11Å; L260-W284 HydrophobicContact CD1-CZ2 3.58Å; L260-W284 HydrophobicContact CD2-CH2 3.86Å; L260-W284 HydrophobicContact CD2-CZ2 4.07Å; L260-W284 HydrophobicContact CD2-CZ3 4.32Å; I281-W284 HydrophobicContact CD1-CE3 3.81Å; I281-W284 HydrophobicContact CD1-CZ3 3.96Å; I281-W284 HydrophobicContact CG2-CB 4.06Å; I281-W284 HydrophobicContact CG2-CE3 4.39Å |
| 285 | H | 98.3 | Very high | 89.7 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 21% | 0.213 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 112.9 | 174.2 | -177.6 | -153 | 0 | 0 | 0 | 110.9 | S181 S183 L260 L261 | S181-H285 VanDerWaalsContact CB-CD2 3.42Å; S181-H285 WeakPolarHBondContact CB-CD2 3.41Å; S181-H285 WeakPolarHBondContact O-CA 3.33Å; S183-H285 PolarHBondContact OG-NE2 3.1Å; L260-H285 WeakPolarHBondContact CA-O 3.47Å; L261-H285 HydrophobicContact CB-CB 4.34Å; L261-H285 PolarHBondContact N-O 2.91Å; L261-H285 PolarHBondContact O-N 3.34Å |
| 286 | F | 98.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 111.6 | 176 | -172.7 | -131.7 | 0 | 0 | 0 | 110.7 | S181 L182 S183 T240 M242 T256 L260 I288 | S181-F286 PolarHBondContact O-N 2.94Å; L182-F286 WeakPolarHBondContact CA-O 3.46Å; L182-F286 HydrophobicContact CD2-CB 3.93Å; L182-F286 HydrophobicContact CD2-CD1 4.28Å; S183-F286 PolarHBondContact N-O 3.35Å; T240-F286 HydrophobicContact CG2-CE2 4.05Å; M242-F286 HydrophobicContact CB-CE1 3.8Å; M242-F286 HydrophobicContact CB-CZ 3.88Å; M242-F286 HydrophobicContact SD-CD1 4.5Å; M242-F286 HydrophobicContact SD-CE1 4.06Å; T256-F286 HydrophobicContact CG2-CE1 4.15Å; T256-F286 HydrophobicContact CG2-CZ 4.48Å; L260-F286 HydrophobicContact CB-CD2 4.26Å; L260-F286 HydrophobicContact CD1-CB 4.16Å; L260-F286 HydrophobicContact CD1-CD2 4.39Å; F286-I288 HydrophobicContact CD1-CD1 4.36Å; F286-I288 HydrophobicContact CD1-CG1 3.73Å; F286-I288 HydrophobicContact CE1-CD1 4.28Å; F286-I288 HydrophobicContact CE1-CG1 3.58Å; F286-I288 HydrophobicContact CZ-CG1 4.29Å |
| 287 | L | 97.9 | Very high | 92.5 | Very high | 65 Ų | 65 | 54.9 Ų | 54.9 | 34% | 0.34 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 99.4 | 175.2 | 176.6 | 71.3 | 0 | 0 | 0 | 108.9 | S183 G258 R259 | S183-L287 CarbonylContact O-C 3.54Å; S183-L287 WeakPolarHBondContact O-CA 3.29Å; G258-L287 CarbonylContact C-O 3.5Å; G258-L287 WeakPolarHBondContact CA-O 3.34Å; R259-L287 HydrophobicContact CB-CB 4.41Å; R259-L287 PolarHBondContact N-O 2.85Å; R259-L287 PolarHBondContact O-N 2.99Å |
| 288 | I | 97.9 | Very high | 93 | Very high | 9 Ų | 9 | 57.3 Ų | 57.3 | 5% | 0.046 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 130.6 | 177.2 | -55.8 | 167 | 0 | 0 | 0 | 108.5 | S183 F184 T256 F286 Q317 L319 | S183-I288 PolarHBondContact O-N 3.33Å; F184-I288 HydrophobicContact CB-CB 4Å; F184-I288 HydrophobicContact CB-CD1 4.3Å; F184-I288 HydrophobicContact CD1-CD1 4Å; F184-I288 HydrophobicContact CG-CD1 4.43Å; T256-I288 HydrophobicContact CG2-CB 4.22Å; T256-I288 HydrophobicContact CG2-CD1 3.87Å; T256-I288 HydrophobicContact CG2-CG1 3.8Å; T256-I288 HydrophobicContact CG2-CG2 3.44Å; T256-I288 VanDerWaalsContact CG2-CG2 3.44Å; F286-I288 HydrophobicContact CD1-CD1 4.36Å; F286-I288 HydrophobicContact CD1-CG1 3.73Å; F286-I288 HydrophobicContact CE1-CD1 4.28Å; F286-I288 HydrophobicContact CE1-CG1 3.58Å; F286-I288 HydrophobicContact CZ-CG1 4.29Å; I288-Q317 HydrophobicContact CG2-CB 4.38Å; I288-L319 HydrophobicContact CD1-CD1 4.25Å; I288-L319 HydrophobicContact CD1-CG 4.32Å |
| 289 | R | 96.1 | Very high | 93 | Very high | 114 Ų | 114 | 56.9 Ų | 56.9 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -45.1 | 178.3 | -68.5 | 168.8 | 165.8 | 173.7 | -13.5 | 111.4 | E238 D257 | E238-R289 PolarHBondContact O-NH1 3.48Å; E238-R289 IonicContact OE1-CZ 3.25Å; E238-R289 IonicContact OE1-NH1 3.12Å; E238-R289 IonicContact OE1-NH2 3.44Å; E238-R289 PolarHBondContact OE1-NH2 3.41Å; D257-R289 PolarHBondContact O-N 3.44Å |
| 290 | T | 96 | Very high | 92.4 | Very high | 77 Ų | 77 | 60.6 Ų | 60.6 | 47% | 0.472 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 158.5 | -175.3 | 48.5 | 0 | 0 | 0 | 0 | 110.5 | D257 | D257-T290 PolarHBondContact N-O 2.86Å; D257-T290 PolarHBondContact O-N 3.31Å |
| 291 | H | 96.2 | Very high | 91.4 | Very high | 38 Ų | 38 | 62.2 Ų | 62.2 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 149.7 | 170.7 | 67.3 | -66.1 | 0 | 0 | 0 | 110.2 | Q255 T256 N313 Q317 G318 | Q255-H291 CarbonylContact O-C 3.47Å; Q255-H291 VanDerWaalsContact O-CA 3.26Å; Q255-H291 WeakPolarHBondContact O-CA 3.46Å; T256-H291 HydrophobicContact CG2-CB 4.48Å; H291-N313 PolarHBondContact NE2-ND2 3.25Å; H291-Q317 WeakPolarHBondContact ND1-CA 3.22Å; H291-Q317 PolarHBondContact ND1-OE1 3.45Å; H291-Q317 VanDerWaalsContact ND1-OE1 3.12Å; H291-G318 PolarHBondContact CD2-N 2.88Å; H291-G318 VanDerWaalsContact CD2-N 3.28Å; H291-G318 VanDerWaalsContact CG-N 3.27Å |
| 292 | N | 95.6 | Very high | 90.4 | Very high | 71 Ų | 71 | 68.4 Ų | 68.4 | 38% | 0.38 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 134.4 | 176.8 | -64.1 | -66.6 | 0 | 0 | 0 | 109.5 | V254 Q255 Y294 | V254-N292 WeakPolarHBondContact CA-O 3.44Å; Q255-N292 PolarHBondContact N-O 3.35Å; Q255-N292 PolarHBondContact O-N 2.78Å; N292-Y294 HydrophobicContact CB-CE1 4.41Å; N292-Y294 HydrophobicContact CB-CE2 3.96Å |
| 293 | E | 94.6 | Very high | 89.6 | Confident | 34 Ų | 34 | 69.8 Ų | 69.8 | 16% | 0.159 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 115.3 | 175.1 | -54.7 | -166 | 179.5 | 0 | 0 | 109.6 | T252 V254 N313 F314 T315 | T252-E293 HydrophobicContact CG2-CB 4.06Å; V254-E293 HydrophobicContact CG1-CG 4.27Å; V254-E293 HydrophobicContact CG2-CB 4.38Å; V254-E293 HydrophobicContact CG2-CG 3.97Å; E293-N313 WeakPolarHBondContact OE1-CB 3.31Å; E293-N313 WeakPolarHBondContact OE2-CA 3.35Å; E293-F314 PolarHBondContact OE1-N 3.35Å; E293-F314 WeakPolarHBondContact OE2-CD1 3.34Å; E293-F314 WeakPolarHBondContact OE2-CE1 3.24Å; E293-F314 PolarHBondContact OE2-N 3.49Å; E293-T315 WeakPolarHBondContact OE1-CA 3Å; E293-T315 VanDerWaalsContact OE1-CB 3.28Å; E293-T315 WeakPolarHBondContact OE1-CB 3.32Å; E293-T315 PolarHBondContact OE1-N 3.14Å; E293-T315 PolarHBondContact OE1-OG1 2.91Å |
| 294 | Y | 92.3 | Very high | 88.5 | Confident | 116 Ų | 116 | 72.9 Ų | 72.9 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 108.9 | -177.4 | -62.1 | -70.9 | 0 | 0 | 0 | 111.3 | T252 S253 Q255 N292 | T252-Y294 WeakPolarHBondContact CG2-O 3.41Å; S253-Y294 PolarHBondContact N-O 2.86Å; S253-Y294 WeakPolarHBondContact O-CB 3.37Å; S253-Y294 PolarHBondContact O-N 2.95Å; Q255-Y294 HydrophobicContact CB-CD2 4.43Å; Q255-Y294 HydrophobicContact CB-CE2 3.8Å; N292-Y294 HydrophobicContact CB-CE1 4.41Å; N292-Y294 HydrophobicContact CB-CE2 3.96Å |
| 295 | I | 88.5 | Confident | 87.6 | Confident | 55 Ų | 55 | 75 Ų | 75 | 28% | 0.282 | 40% | 0.398 | S | S | . | . | trans | -90.1 | 128.2 | -178.8 | -58.2 | -179.3 | 0 | 0 | 0 | 109.5 | T252 R297 I299 L300 L310 | T252-I295 HydrophobicContact CG2-CG1 4.3Å; I295-R297 PolarHBondContact O-N 3.46Å; I295-I299 HydrophobicContact CG2-CD1 3.46Å; I295-I299 VanDerWaalsContact CG2-CD1 3.46Å; I295-I299 HydrophobicContact CG2-CG1 3.76Å; I295-L300 HydrophobicContact CG2-CD2 4.42Å; I295-L310 HydrophobicContact CD1-CB 4.08Å; I295-L310 HydrophobicContact CD1-CD2 4.28Å; I295-L310 WeakPolarHBondContact CD1-O 3.27Å; I295-L310 HydrophobicContact CG2-CD2 4.24Å | ||
| 296 | P | 86.5 | Confident | 86.6 | Confident | 36 Ų | 36 | 75.6 Ų | 75.6 | 23% | 0.234 | 40% | 0.401 | C | S | . | . | trans | -59.4 | 132.8 | 176.8 | -25.3 | 34.5 | 0 | 0 | 0 | 112.6 | M251 C298 I299 | M251-P296 HydrophobicContact CB-CG 4.26Å; M251-P296 WeakPolarHBondContact O-CD 3.13Å; M251-P296 WeakPolarHBondContact O-CG 3.24Å; P296-C298 PolarHBondContact O-N 3.26Å; P296-C298 VanDerWaalsContact O-N 3.1Å; P296-I299 HydrophobicContact CB-CG1 4.49Å; P296-I299 WeakPolarHBondContact O-CG1 3.4Å; P296-I299 PolarHBondContact O-N 2.82Å | ||
| 297 | R | 85.4 | Confident | 85.7 | Confident | 225 Ų | 225 | 80.3 Ų | 80.3 | 85% | 0.849 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -60.4 | -25.4 | -179.7 | -65.5 | -176.2 | -174.9 | 166.8 | 2.2 | 113.8 | I295 I299 L300 | I295-R297 PolarHBondContact O-N 3.46Å; R297-I299 VanDerWaalsContact C-N 3.26Å; R297-I299 PolarHBondContact O-N 2.88Å; R297-L300 HydrophobicContact CB-CD1 4.49Å; R297-L300 PolarHBondContact O-N 2.99Å |
| 298 | C | 82.6 | Confident | 84.9 | Confident | 118 Ų | 118 | 82.5 Ų | 82.5 | 80% | 0.797 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -69 | -18.3 | -179.5 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | P296 | P296-C298 PolarHBondContact O-N 3.26Å; P296-C298 VanDerWaalsContact O-N 3.1Å |
| 299 | I | 80 | Confident | 84 | Confident | 49 Ų | 49 | 87.8 Ų | 87.8 | 25% | 0.251 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -94.3 | -2.4 | 176.2 | 62 | 153.6 | 0 | 0 | 0 | 113.3 | F250 I295 P296 R297 S301 F306 L310 | F250-I299 HydrophobicContact CB-CD1 3.54Å; F250-I299 HydrophobicContact CD1-CD1 3.77Å; F250-I299 HydrophobicContact CD2-CD1 4.36Å; F250-I299 HydrophobicContact CG-CD1 3.6Å; I295-I299 HydrophobicContact CG2-CD1 3.46Å; I295-I299 VanDerWaalsContact CG2-CD1 3.46Å; I295-I299 HydrophobicContact CG2-CG1 3.76Å; P296-I299 HydrophobicContact CB-CG1 4.49Å; P296-I299 WeakPolarHBondContact O-CG1 3.4Å; P296-I299 PolarHBondContact O-N 2.82Å; R297-I299 VanDerWaalsContact C-N 3.26Å; R297-I299 PolarHBondContact O-N 2.88Å; I299-S301 PolarHBondContact O-N 3.43Å; I299-F306 WeakPolarHBondContact O-CE1 3.45Å; I299-L310 HydrophobicContact CD1-CD2 3.89Å |
| 300 | L | 75.9 | Confident | 83.2 | Confident | 91 Ų | 91 | 83.1 Ų | 83.1 | 48% | 0.476 | 44% | 0.442 | S | S | . | . | trans | -73.5 | 90.1 | 178.9 | -62.3 | 176.4 | 0 | 0 | 0 | 110.5 | I295 R297 L310 | I295-L300 HydrophobicContact CG2-CD2 4.42Å; R297-L300 HydrophobicContact CB-CD1 4.49Å; R297-L300 PolarHBondContact O-N 2.99Å; L300-L310 HydrophobicContact CD2-CD1 3.97Å | ||
| 301 | S | 72.6 | Confident | 82.6 | Confident | 52 Ų | 52 | 83.2 Ų | 83.2 | 36% | 0.364 | 45% | 0.446 | S | S | . | . | trans | -73.8 | 143.7 | 168.8 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | I299 E303 | I299-S301 PolarHBondContact O-N 3.43Å; S301-E303 PolarHBondContact O-N 2.93Å; S301-E303 PolarHBondContact OG-N 3Å | ||
| 302 | P | 74.7 | Confident | 82.2 | Confident | 131 Ų | 131 | 87.3 Ų | 87.3 | 85% | 0.851 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -72 | 3 | 172.6 | 31.4 | -36.6 | 0 | 0 | 0 | 114 | ||
| 303 | E | 76.8 | Confident | 81.9 | Confident | 100 Ų | 100 | 88.5 Ų | 88.5 | 47% | 0.467 | 47% | 0.469 | S | S | . | . | trans | -70 | 119.9 | 175.9 | -151.5 | -65 | 140 | 0 | 0 | 110 | S301 G305 F306 L307 | S301-E303 PolarHBondContact O-N 2.93Å; S301-E303 PolarHBondContact OG-N 3Å; E303-G305 PolarHBondContact O-N 2.83Å; E303-G305 WeakPolarHBondContact OE2-CA 3.35Å; E303-G305 PolarHBondContact OE2-N 3.46Å; E303-F306 HydrophobicContact CB-CB 4.25Å; E303-F306 PolarHBondContact O-N 2.89Å; E303-F306 PolarHBondContact OE2-N 2.87Å; E303-L307 PolarHBondContact O-N 3.13Å | ||
| 304 | P | 75 | Confident | 81.6 | Confident | 103 Ų | 103 | 89.4 Ų | 89.4 | 67% | 0.669 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -70.3 | -31.2 | -167.5 | 25.7 | -34.7 | 0 | 0 | 0 | 114.3 | E308 | P304-E308 PolarHBondContact O-N 2.8Å |
| 305 | G | 78.4 | Confident | 81.7 | Confident | 44 Ų | 44 | 84 Ų | 84 | 45% | 0.454 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -70.7 | -38.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E303 L307 E308 Q309 | E303-G305 PolarHBondContact O-N 2.83Å; E303-G305 WeakPolarHBondContact OE2-CA 3.35Å; E303-G305 PolarHBondContact OE2-N 3.46Å; G305-L307 VanDerWaalsContact C-N 3.34Å; G305-L307 PolarHBondContact O-N 2.95Å; G305-E308 PolarHBondContact O-N 2.74Å; G305-Q309 PolarHBondContact O-N 2.93Å |
| 306 | F | 78.2 | Confident | 81.9 | Confident | 60 Ų | 60 | 86.2 Ų | 86.2 | 26% | 0.263 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 176 | -170.5 | -108.3 | 0 | 0 | 0 | 112.6 | F250 I299 E303 Q309 L310 | F250-F306 HydrophobicContact CD1-CZ 4.39Å; F250-F306 AromaticContact CE1-CE2 3.81Å; F250-F306 HydrophobicContact CE1-CE2 3.81Å; F250-F306 AromaticContact CE1-CZ 3.49Å; F250-F306 HydrophobicContact CE1-CZ 3.49Å; F250-F306 VanDerWaalsContact CE1-CZ 3.49Å; F250-F306 AromaticContact CZ-CE2 3.72Å; F250-F306 HydrophobicContact CZ-CE2 3.72Å; F250-F306 AromaticContact CZ-CZ 3.71Å; F250-F306 HydrophobicContact CZ-CZ 3.71Å; I299-F306 WeakPolarHBondContact O-CE1 3.45Å; E303-F306 HydrophobicContact CB-CB 4.25Å; E303-F306 PolarHBondContact O-N 2.89Å; E303-F306 PolarHBondContact OE2-N 2.87Å; F306-Q309 PolarHBondContact O-N 3.03Å; F306-L310 HydrophobicContact CD1-CD1 3.81Å; F306-L310 HydrophobicContact CD1-CG 4.29Å; F306-L310 HydrophobicContact CE1-CD1 3.55Å; F306-L310 HydrophobicContact CE1-CD2 4.42Å; F306-L310 HydrophobicContact CE1-CG 4.04Å; F306-L310 HydrophobicContact CZ-CD1 4.35Å; F306-L310 HydrophobicContact CZ-CD2 4.46Å; F306-L310 HydrophobicContact CZ-CG 4.43Å; F306-L310 WeakPolarHBondContact O-CG 3.34Å; F306-L310 PolarHBondContact O-N 3.41Å |
| 307 | L | 78.2 | Confident | 82.3 | Confident | 98 Ų | 98 | 86.6 Ų | 86.6 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.9 | -32.9 | 178.3 | -169.1 | 138.9 | 0 | 0 | 0 | 112.8 | E303 G305 Q309 L310 S311 | E303-L307 PolarHBondContact O-N 3.13Å; G305-L307 VanDerWaalsContact C-N 3.34Å; G305-L307 PolarHBondContact O-N 2.95Å; L307-Q309 VanDerWaalsContact C-N 3.32Å; L307-L310 PolarHBondContact O-N 2.92Å; L307-S311 PolarHBondContact O-N 2.99Å |
| 308 | E | 81.7 | Confident | 82.7 | Confident | 112 Ų | 112 | 76 Ų | 76 | 52% | 0.523 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.8 | -31.6 | 172.3 | -158.4 | -151.3 | 125.9 | 0 | 0 | 112.4 | P304 G305 S311 K312 | P304-E308 PolarHBondContact O-N 2.8Å; G305-E308 PolarHBondContact O-N 2.74Å; E308-S311 PolarHBondContact O-OG 3.48Å; E308-K312 WeakPolarHBondContact O-CE 3.42Å; E308-K312 WeakPolarHBondContact OE1-CE 3.32Å; E308-K312 IonicContact OE1-NZ 3.67Å; E308-K312 PolarHBondContact OE1-NZ 2.74Å |
| 309 | Q | 79.8 | Confident | 83.4 | Confident | 120 Ų | 120 | 70.6 Ų | 70.6 | 56% | 0.561 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -70.7 | -38.7 | 172.9 | -173.5 | 175.8 | -6.4 | 0 | 0 | 111.6 | G305 F306 L307 S311 | G305-Q309 PolarHBondContact O-N 2.93Å; F306-Q309 PolarHBondContact O-N 3.03Å; L307-Q309 VanDerWaalsContact C-N 3.32Å; Q309-S311 VanDerWaalsContact C-N 3.32Å; Q309-S311 PolarHBondContact O-N 2.8Å |
| 310 | L | 79.1 | Confident | 84.1 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 8% | 0.079 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.6 | -25.6 | 175.9 | -72.4 | 176.9 | 0 | 0 | 0 | 113.8 | F250 I295 I299 L300 F306 L307 K312 | F250-L310 HydrophobicContact CD1-CD2 4.42Å; F250-L310 HydrophobicContact CD2-CD2 3.37Å; F250-L310 HydrophobicContact CE1-CD2 4.36Å; F250-L310 HydrophobicContact CE2-CD2 3.29Å; F250-L310 HydrophobicContact CE2-CG 4.41Å; F250-L310 HydrophobicContact CG-CD2 3.98Å; F250-L310 HydrophobicContact CZ-CD2 3.82Å; I295-L310 HydrophobicContact CD1-CB 4.08Å; I295-L310 HydrophobicContact CD1-CD2 4.28Å; I295-L310 WeakPolarHBondContact CD1-O 3.27Å; I295-L310 HydrophobicContact CG2-CD2 4.24Å; I299-L310 HydrophobicContact CD1-CD2 3.89Å; L300-L310 HydrophobicContact CD2-CD1 3.97Å; F306-L310 HydrophobicContact CD1-CD1 3.81Å; F306-L310 HydrophobicContact CD1-CG 4.29Å; F306-L310 HydrophobicContact CE1-CD1 3.55Å; F306-L310 HydrophobicContact CE1-CD2 4.42Å; F306-L310 HydrophobicContact CE1-CG 4.04Å; F306-L310 HydrophobicContact CZ-CD1 4.35Å; F306-L310 HydrophobicContact CZ-CD2 4.46Å; F306-L310 HydrophobicContact CZ-CG 4.43Å; F306-L310 WeakPolarHBondContact O-CG 3.34Å; F306-L310 PolarHBondContact O-N 3.41Å; L307-L310 PolarHBondContact O-N 2.92Å; L310-K312 PolarHBondContact O-N 3.23Å |
| 311 | S | 81.9 | Confident | 85 | Confident | 80 Ų | 80 | 68.1 Ų | 68.1 | 56% | 0.559 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -8.6 | -178.6 | 72.2 | 0 | 0 | 0 | 0 | 114.3 | L307 E308 Q309 | L307-S311 PolarHBondContact O-N 2.99Å; E308-S311 PolarHBondContact O-OG 3.48Å; Q309-S311 VanDerWaalsContact C-N 3.32Å; Q309-S311 PolarHBondContact O-N 2.8Å |
| 312 | K | 88.3 | Confident | 86.1 | Confident | 124 Ų | 124 | 68.7 Ų | 68.7 | 54% | 0.539 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -96.6 | 112.2 | -177.5 | -67.2 | 167.4 | -171 | 167.8 | 0 | 110 | E308 L310 F314 | E308-K312 WeakPolarHBondContact O-CE 3.42Å; E308-K312 WeakPolarHBondContact OE1-CE 3.32Å; E308-K312 IonicContact OE1-NZ 3.67Å; E308-K312 PolarHBondContact OE1-NZ 2.74Å; L310-K312 PolarHBondContact O-N 3.23Å; K312-F314 PolarHBondContact O-N 2.86Å |
| 313 | N | 89.5 | Confident | 87.1 | Confident | 96 Ų | 96 | 62.6 Ų | 62.6 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | trans | -52.2 | 130.3 | 173.8 | -70.9 | 20 | 0 | 0 | 0 | 110.7 | H291 E293 | H291-N313 PolarHBondContact NE2-ND2 3.25Å; E293-N313 WeakPolarHBondContact OE1-CB 3.31Å; E293-N313 WeakPolarHBondContact OE2-CA 3.35Å | ||
| 314 | F | 88.9 | Confident | 87.9 | Confident | 53 Ų | 53 | 57.8 Ų | 57.8 | 23% | 0.232 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -94.5 | -14 | 176.4 | 74.2 | -80.3 | 0 | 0 | 0 | 112.4 | H246 T252 V254 E293 K312 | H246-F314 HydrophobicContact CB-CE2 4.42Å; H246-F314 HydrophobicContact CB-CZ 4.03Å; H246-F314 AromaticContact CD2-CZ 3.81Å; H246-F314 AromaticContact CE1-CE2 3.77Å; H246-F314 AromaticContact CE1-CZ 3.89Å; H246-F314 AromaticContact CG-CE2 3.86Å; H246-F314 AromaticContact CG-CZ 3.55Å; H246-F314 AromaticContact ND1-CE2 3.45Å; H246-F314 WeakPolarHBondContact ND1-CE2 3.43Å; H246-F314 AromaticContact ND1-CZ 3.63Å; T252-F314 HydrophobicContact CG2-CE1 3.92Å; V254-F314 HydrophobicContact CG2-CE1 4.02Å; V254-F314 HydrophobicContact CG2-CZ 3.84Å; E293-F314 PolarHBondContact OE1-N 3.35Å; E293-F314 WeakPolarHBondContact OE2-CD1 3.34Å; E293-F314 WeakPolarHBondContact OE2-CE1 3.24Å; E293-F314 PolarHBondContact OE2-N 3.49Å; K312-F314 PolarHBondContact O-N 2.86Å |
| 315 | T | 93.2 | Very high | 88.9 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -97 | 160.5 | 169.1 | 75.2 | 0 | 0 | 0 | 0 | 111.6 | V254 E293 G318 L319 | V254-T315 HydrophobicContact CG1-CG2 4.21Å; V254-T315 HydrophobicContact CG2-CG2 4.03Å; E293-T315 WeakPolarHBondContact OE1-CA 3Å; E293-T315 VanDerWaalsContact OE1-CB 3.28Å; E293-T315 WeakPolarHBondContact OE1-CB 3.32Å; E293-T315 PolarHBondContact OE1-N 3.14Å; E293-T315 PolarHBondContact OE1-OG1 2.91Å; T315-G318 WeakPolarHBondContact OG1-CA 3.11Å; T315-G318 PolarHBondContact OG1-N 3.45Å; T315-L319 WeakPolarHBondContact CA-O 3.35Å; T315-L319 WeakPolarHBondContact CB-O 3.18Å |
| 316 | R | 93.5 | Very high | 89.7 | Confident | 100 Ų | 100 | 56.3 Ų | 56.3 | 38% | 0.377 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -122.5 | 113.8 | 170.5 | -74.2 | 172 | 168.7 | -107.9 | -4 | 107.7 | L186 E187 G318 L319 L324 | L186-R316 HydrophobicContact CD2-CB 4.41Å; E187-R316 VanDerWaalsContact CD-NH1 3.25Å; E187-R316 IonicContact OE1-CZ 2.71Å; E187-R316 IonicContact OE1-NH1 2.69Å; E187-R316 PolarHBondContact OE1-NH1 3.37Å; E187-R316 IonicContact OE1-NH2 3.62Å; E187-R316 IonicContact OE2-CZ 2.92Å; E187-R316 IonicContact OE2-NH1 3.21Å; E187-R316 PolarHBondContact OE2-NH1 2.99Å; E187-R316 IonicContact OE2-NH2 3.75Å; R316-G318 PolarHBondContact O-N 3.17Å; R316-L319 PolarHBondContact N-O 3.23Å; R316-L319 PolarHBondContact O-N 3.29Å; R316-L324 HydrophobicContact CB-CD1 3.71Å |
| 317 | Q | 94.6 | Very high | 90.5 | Very high | 45 Ų | 45 | 53.5 Ų | 53.5 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 38.7 | -169.1 | -59.4 | -61.8 | -0.8 | 0 | 0 | 113.5 | F184 C185 L186 I288 H291 L319 | F184-Q317 HydrophobicContact CB-CB 4.25Å; F184-Q317 HydrophobicContact CB-CG 4.28Å; F184-Q317 HydrophobicContact CD2-CB 4.23Å; F184-Q317 HydrophobicContact CD2-CG 4.22Å; F184-Q317 HydrophobicContact CG-CB 4.4Å; C185-Q317 VanDerWaalsContact O-CG 3.26Å; C185-Q317 WeakPolarHBondContact O-CG 3.47Å; C185-Q317 PolarHBondContact O-NE2 2.85Å; L186-Q317 HydrophobicContact CD2-CG 4.21Å; I288-Q317 HydrophobicContact CG2-CB 4.38Å; H291-Q317 WeakPolarHBondContact ND1-CA 3.22Å; H291-Q317 PolarHBondContact ND1-OE1 3.45Å; H291-Q317 VanDerWaalsContact ND1-OE1 3.12Å; Q317-L319 PolarHBondContact O-N 3.02Å |
| 318 | G | 94.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -3.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | T256 H291 T315 R316 | T256-G318 WeakPolarHBondContact OG1-CA 3.27Å; H291-G318 PolarHBondContact CD2-N 2.88Å; H291-G318 VanDerWaalsContact CD2-N 3.28Å; H291-G318 VanDerWaalsContact CG-N 3.27Å; T315-G318 WeakPolarHBondContact OG1-CA 3.11Å; T315-G318 PolarHBondContact OG1-N 3.45Å; R316-G318 PolarHBondContact O-N 3.17Å |
| 319 | L | 96.2 | Very high | 91.7 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -100.7 | 140.4 | 178.3 | -58.6 | 179.9 | 0 | 0 | 0 | 111.3 | L182 F184 M242 I288 T315 R316 Q317 T323 L324 L327 | L182-L319 HydrophobicContact CD1-CD1 4.21Å; F184-L319 HydrophobicContact CD1-CD1 4.39Å; F184-L319 HydrophobicContact CE1-CD1 3.73Å; F184-L319 HydrophobicContact CZ-CD1 3.98Å; M242-L319 HydrophobicContact CE-CD2 4.28Å; I288-L319 HydrophobicContact CD1-CD1 4.25Å; I288-L319 HydrophobicContact CD1-CG 4.32Å; T315-L319 WeakPolarHBondContact CA-O 3.35Å; T315-L319 WeakPolarHBondContact CB-O 3.18Å; R316-L319 PolarHBondContact N-O 3.23Å; R316-L319 PolarHBondContact O-N 3.29Å; Q317-L319 PolarHBondContact O-N 3.02Å; L319-T323 HydrophobicContact CD2-CG2 4.4Å; L319-L324 HydrophobicContact CB-CD1 4.35Å; L319-L324 HydrophobicContact CB-CD2 4.04Å; L319-L324 HydrophobicContact CB-CG 3.91Å; L319-L324 HydrophobicContact CD1-CD2 3.91Å; L319-L327 HydrophobicContact CD1-CD1 4.1Å |
| 320 | T | 94.9 | Very high | 92.3 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | trans | -71.9 | 154.6 | 174.6 | 61.2 | 0 | 0 | 0 | 0 | 111.2 | V322 T323 L324 | T320-V322 PolarHBondContact O-N 3.49Å; T320-T323 PolarHBondContact O-N 3.23Å; T320-T323 VanDerWaalsContact O-N 3.11Å; T320-T323 PolarHBondContact OG1-N 2.85Å; T320-T323 PolarHBondContact OG1-OG1 2.83Å; T320-L324 PolarHBondContact O-N 3.45Å | ||
| 321 | N | 94.6 | Very high | 92.6 | Very high | 81 Ų | 81 | 49.8 Ų | 49.8 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.6 | -31.7 | 176.1 | -70.3 | -52.2 | 0 | 0 | 0 | 112.7 | L324 N325 | N321-L324 PolarHBondContact O-N 3.01Å; N321-N325 VanDerWaalsContact O-CB 3.29Å; N321-N325 WeakPolarHBondContact O-CB 3.47Å; N321-N325 PolarHBondContact O-N 3.32Å; N321-N325 PolarHBondContact O-ND2 3.29Å |
| 322 | V | 95.3 | Very high | 92.7 | Very high | 64 Ų | 64 | 50.9 Ų | 50.9 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.1 | -53 | 173.1 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | E209 T320 L324 N325 Y326 | E209-V322 HydrophobicContact CB-CG1 4.16Å; T320-V322 PolarHBondContact O-N 3.49Å; V322-L324 PolarHBondContact O-N 3.12Å; V322-N325 PolarHBondContact O-N 2.95Å; V322-Y326 WeakPolarHBondContact O-CB 3.37Å; V322-Y326 PolarHBondContact O-N 3.2Å |
| 323 | T | 96.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 178 | -48.3 | 0 | 0 | 0 | 0 | 111.6 | Y203 S206 I207 L319 T320 Y326 L327 | Y203-T323 HydrophobicContact CD2-CG2 4.3Å; Y203-T323 HydrophobicContact CE2-CG2 3.88Å; S206-T323 PolarHBondContact O-OG1 2.85Å; I207-T323 HydrophobicContact CG1-CG2 4.09Å; L319-T323 HydrophobicContact CD2-CG2 4.4Å; T320-T323 PolarHBondContact O-N 3.23Å; T320-T323 VanDerWaalsContact O-N 3.11Å; T320-T323 PolarHBondContact OG1-N 2.85Å; T320-T323 PolarHBondContact OG1-OG1 2.83Å; T323-Y326 PolarHBondContact O-N 3.34Å; T323-L327 HydrophobicContact CG2-CD1 4.13Å; T323-L327 VanDerWaalsContact O-CG 3.27Å; T323-L327 WeakPolarHBondContact O-CG 3.39Å; T323-L327 PolarHBondContact O-N 3.22Å |
| 324 | L | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.8 | -39.5 | 179.6 | -72.3 | 171.2 | 0 | 0 | 0 | 112.8 | F184 R316 L319 T320 N321 V322 L327 R328 | F184-L324 HydrophobicContact CE2-CD2 3.81Å; F184-L324 HydrophobicContact CZ-CD2 3.51Å; R316-L324 HydrophobicContact CB-CD1 3.71Å; L319-L324 HydrophobicContact CB-CD1 4.35Å; L319-L324 HydrophobicContact CB-CD2 4.04Å; L319-L324 HydrophobicContact CB-CG 3.91Å; L319-L324 HydrophobicContact CD1-CD2 3.91Å; T320-L324 PolarHBondContact O-N 3.45Å; N321-L324 PolarHBondContact O-N 3.01Å; V322-L324 PolarHBondContact O-N 3.12Å; L324-L327 PolarHBondContact O-N 3.21Å; L324-R328 WeakPolarHBondContact O-CD 3.5Å; L324-R328 VanDerWaalsContact O-CG 3.24Å; L324-R328 WeakPolarHBondContact O-CG 3.28Å; L324-R328 PolarHBondContact O-N 3.4Å |
| 325 | N | 95.3 | Very high | 90.9 | Very high | 79 Ų | 79 | 48.5 Ų | 48.5 | 42% | 0.422 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.9 | -40.3 | 175.3 | -71.2 | -16.5 | 0 | 0 | 0 | 111.3 | N321 V322 L327 R328 L329 | N321-N325 VanDerWaalsContact O-CB 3.29Å; N321-N325 WeakPolarHBondContact O-CB 3.47Å; N321-N325 PolarHBondContact O-N 3.32Å; N321-N325 PolarHBondContact O-ND2 3.29Å; V322-N325 PolarHBondContact O-N 2.95Å; N325-L327 PolarHBondContact O-N 2.98Å; N325-R328 PolarHBondContact O-N 3.31Å; N325-R328 PolarHBondContact OD1-NH1 3.08Å; N325-L329 WeakPolarHBondContact O-CG 2.93Å; N325-L329 PolarHBondContact O-N 2.98Å |
| 326 | Y | 95.3 | Very high | 90.3 | Very high | 36 Ų | 36 | 51.7 Ų | 51.7 | 14% | 0.141 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.3 | -46.7 | 172.1 | 175.1 | -99.6 | 0 | 0 | 0 | 112.3 | L199 R202 Y203 V322 T323 R328 L329 C330 | L199-Y326 WeakPolarHBondContact CB-OH 3.42Å; L199-Y326 PolarHBondContact O-OH 3.08Å; L199-Y326 VanDerWaalsContact O-OH 3.1Å; R202-Y326 HydrophobicContact CB-CE2 3.86Å; R202-Y326 VanDerWaalsContact CB-OH 3.3Å; R202-Y326 WeakPolarHBondContact CB-OH 3.37Å; Y203-Y326 VanDerWaalsContact CA-CE1 3.46Å; V322-Y326 WeakPolarHBondContact O-CB 3.37Å; V322-Y326 PolarHBondContact O-N 3.2Å; T323-Y326 PolarHBondContact O-N 3.34Å; Y326-R328 PolarHBondContact O-N 3.4Å; Y326-L329 PolarHBondContact O-N 2.66Å; Y326-C330 WeakPolarHBondContact CE1-SG 3.2Å; Y326-C330 PolarHBondContact O-N 3.37Å; Y326-C330 PolarHBondContact O-SG 3.43Å; Y326-C330 PolarHBondContact OH-SG 3.11Å |
| 327 | L | 94.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63 | -39.2 | 177.2 | -70.1 | 165.8 | 0 | 0 | 0 | 112.7 | L182 Y193 Y203 L319 T323 L324 N325 C330 V331 | L182-L327 HydrophobicContact CD1-CD1 3.66Å; L182-L327 HydrophobicContact CD1-CD2 4.07Å; Y193-L327 HydrophobicContact CD1-CB 3.77Å; Y193-L327 WeakPolarHBondContact CD1-O 3.37Å; Y193-L327 HydrophobicContact CD2-CB 4.41Å; Y193-L327 HydrophobicContact CE1-CB 4.22Å; Y193-L327 HydrophobicContact CG-CB 3.9Å; Y203-L327 HydrophobicContact CD2-CD2 4.02Å; Y203-L327 HydrophobicContact CE2-CD2 4.32Å; L319-L327 HydrophobicContact CD1-CD1 4.1Å; T323-L327 HydrophobicContact CG2-CD1 4.13Å; T323-L327 VanDerWaalsContact O-CG 3.27Å; T323-L327 WeakPolarHBondContact O-CG 3.39Å; T323-L327 PolarHBondContact O-N 3.22Å; L324-L327 PolarHBondContact O-N 3.21Å; N325-L327 PolarHBondContact O-N 2.98Å; L327-C330 PolarHBondContact O-N 3.17Å; L327-V331 PolarHBondContact O-N 3.43Å |
| 328 | R | 93.5 | Very high | 88.9 | Confident | 97 Ų | 97 | 54.1 Ų | 54.1 | 37% | 0.366 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 173.4 | -72.2 | 162.9 | 179 | 158.1 | -4.9 | 112.1 | Y193 L324 N325 Y326 C330 | Y193-R328 HydrophobicContact CE1-CG 4.17Å; L324-R328 WeakPolarHBondContact O-CD 3.5Å; L324-R328 VanDerWaalsContact O-CG 3.24Å; L324-R328 WeakPolarHBondContact O-CG 3.28Å; L324-R328 PolarHBondContact O-N 3.4Å; N325-R328 PolarHBondContact O-N 3.31Å; N325-R328 PolarHBondContact OD1-NH1 3.08Å; Y326-R328 PolarHBondContact O-N 3.4Å; R328-C330 VanDerWaalsContact C-N 3.35Å |
| 329 | L | 92.8 | Very high | 88.3 | Confident | 100 Ų | 100 | 54.9 Ų | 54.9 | 52% | 0.524 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 175.3 | -69.5 | 169.2 | 0 | 0 | 0 | 111.6 | N325 Y326 V331 I332 L333 | N325-L329 WeakPolarHBondContact O-CG 2.93Å; N325-L329 PolarHBondContact O-N 2.98Å; Y326-L329 PolarHBondContact O-N 2.66Å; L329-V331 VanDerWaalsContact C-N 3.33Å; L329-V331 PolarHBondContact O-N 3.37Å; L329-I332 PolarHBondContact O-N 2.94Å; L329-I332 VanDerWaalsContact O-N 3.1Å; L329-L333 VanDerWaalsContact O-CG 3.3Å; L329-L333 WeakPolarHBondContact O-CG 3.27Å; L329-L333 PolarHBondContact O-N 2.9Å |
| 330 | C | 90.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.3 | -39.6 | -179.4 | -66.6 | 0 | 0 | 0 | 0 | 113.6 | I195 L199 Y326 L327 R328 I332 L333 E334 | I195-C330 HydrophobicContact CG2-CB 3.58Å; L199-C330 HydrophobicContact CD1-CB 4.12Å; Y326-C330 WeakPolarHBondContact CE1-SG 3.2Å; Y326-C330 PolarHBondContact O-N 3.37Å; Y326-C330 PolarHBondContact O-SG 3.43Å; Y326-C330 PolarHBondContact OH-SG 3.11Å; L327-C330 PolarHBondContact O-N 3.17Å; R328-C330 VanDerWaalsContact C-N 3.35Å; C330-I332 PolarHBondContact O-N 3.21Å; C330-L333 PolarHBondContact O-N 3.1Å; C330-E334 PolarHBondContact O-N 3.34Å; C330-E334 VanDerWaalsContact O-N 3.11Å |
| 331 | V | 85.7 | Confident | 86.9 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 42% | 0.424 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.4 | -30.5 | 177.7 | 174 | 0 | 0 | 0 | 0 | 112.3 | Y193 L327 L329 P335 | Y193-V331 HydrophobicContact CD1-CG2 3.55Å; Y193-V331 HydrophobicContact CE1-CG2 3.99Å; L327-V331 PolarHBondContact O-N 3.43Å; L329-V331 VanDerWaalsContact C-N 3.33Å; L329-V331 PolarHBondContact O-N 3.37Å; V331-P335 VanDerWaalsContact O-CD 3.27Å; V331-P335 WeakPolarHBondContact O-CD 3.3Å |
| 332 | I | 83.9 | Confident | 86.3 | Confident | 102 Ų | 102 | 58.7 Ų | 58.7 | 52% | 0.523 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -82.6 | -38.2 | 176.1 | -57.3 | 172.2 | 0 | 0 | 0 | 110.2 | L329 C330 E334 P335 M336 | L329-I332 PolarHBondContact O-N 2.94Å; L329-I332 VanDerWaalsContact O-N 3.1Å; C330-I332 PolarHBondContact O-N 3.21Å; I332-E334 PolarHBondContact O-N 3.33Å; I332-P335 WeakPolarHBondContact O-CD 3.43Å; I332-P335 WeakPolarHBondContact O-CG 3.43Å; I332-M336 HydrophobicContact CG2-CG 4.46Å; I332-M336 HydrophobicContact CG2-SD 3.9Å; I332-M336 VanDerWaalsContact O-CG 3.29Å; I332-M336 WeakPolarHBondContact O-CG 3.29Å; I332-M336 PolarHBondContact O-N 2.98Å |
| 333 | L | 78.9 | Confident | 85.8 | Confident | 38 Ų | 38 | 58.6 Ų | 58.6 | 20% | 0.199 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.3 | -32.9 | -177.7 | -73.6 | 171.3 | 0 | 0 | 0 | 113.4 | W9 L329 C330 M336 Q337 | W9-L333 HydrophobicContact CZ2-CD1 4.36Å; L329-L333 VanDerWaalsContact O-CG 3.3Å; L329-L333 WeakPolarHBondContact O-CG 3.27Å; L329-L333 PolarHBondContact O-N 2.9Å; C330-L333 PolarHBondContact O-N 3.1Å; L333-M336 CarbonylContact O-C 3.52Å; L333-M336 WeakPolarHBondContact O-CB 3.49Å; L333-M336 PolarHBondContact O-N 3.43Å; L333-Q337 WeakPolarHBondContact O-CG 3.39Å; L333-Q337 PolarHBondContact O-N 3.22Å |
| 334 | E | 73.1 | Confident | 85.2 | Confident | 109 Ų | 109 | 65.4 Ų | 65.4 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.7 | -57.5 | -179.5 | -175 | 168.9 | -146.3 | 0 | 0 | 113.3 | C330 I332 M336 Q337 | C330-E334 PolarHBondContact O-N 3.34Å; C330-E334 VanDerWaalsContact O-N 3.11Å; I332-E334 PolarHBondContact O-N 3.33Å; E334-M336 PolarHBondContact O-N 3.07Å; E334-Q337 WeakPolarHBondContact O-CB 3.34Å; E334-Q337 PolarHBondContact O-N 3.31Å; E334-Q337 VanDerWaalsContact O-N 3.07Å |
| 335 | P | 76.7 | Confident | 84.7 | Confident | 77 Ų | 77 | 69.6 Ų | 69.6 | 50% | 0.5 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.6 | -25.7 | 173.4 | 26.8 | -35 | 0 | 0 | 0 | 112.9 | V331 I332 Q337 | V331-P335 VanDerWaalsContact O-CD 3.27Å; V331-P335 WeakPolarHBondContact O-CD 3.3Å; I332-P335 WeakPolarHBondContact O-CD 3.43Å; I332-P335 WeakPolarHBondContact O-CG 3.43Å; P335-Q337 VanDerWaalsContact C-N 3.28Å; P335-Q337 PolarHBondContact O-N 3.39Å |
| 336 | M | 80 | Confident | 83.9 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.4 | -20.2 | 172.7 | -71.4 | -174.3 | 82.7 | 0 | 0 | 113.4 | I332 L333 E334 L339 M340 | I332-M336 HydrophobicContact CG2-CG 4.46Å; I332-M336 HydrophobicContact CG2-SD 3.9Å; I332-M336 VanDerWaalsContact O-CG 3.29Å; I332-M336 WeakPolarHBondContact O-CG 3.29Å; I332-M336 PolarHBondContact O-N 2.98Å; L333-M336 CarbonylContact O-C 3.52Å; L333-M336 WeakPolarHBondContact O-CB 3.49Å; L333-M336 PolarHBondContact O-N 3.43Å; E334-M336 PolarHBondContact O-N 3.07Å; M336-L339 PolarHBondContact O-N 3.47Å; M336-M340 HydrophobicContact CB-CE 4.43Å; M336-M340 HydrophobicContact CE-CE 3.97Å; M336-M340 VanDerWaalsContact O-CB 3.28Å; M336-M340 WeakPolarHBondContact O-CB 3.46Å; M336-M340 WeakPolarHBondContact O-CG 3.32Å; M336-M340 PolarHBondContact O-N 3.1Å |
| 337 | Q | 79.3 | Confident | 83.3 | Confident | 97 Ų | 97 | 72.2 Ų | 72.2 | 45% | 0.453 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 176.8 | -75.1 | 170.2 | 23.6 | 0 | 0 | 111.9 | L333 E334 P335 L339 M340 A341 | L333-Q337 WeakPolarHBondContact O-CG 3.39Å; L333-Q337 PolarHBondContact O-N 3.22Å; E334-Q337 WeakPolarHBondContact O-CB 3.34Å; E334-Q337 PolarHBondContact O-N 3.31Å; E334-Q337 VanDerWaalsContact O-N 3.07Å; P335-Q337 VanDerWaalsContact C-N 3.28Å; P335-Q337 PolarHBondContact O-N 3.39Å; Q337-L339 VanDerWaalsContact C-N 3.35Å; Q337-M340 PolarHBondContact O-N 2.78Å; Q337-A341 WeakPolarHBondContact O-CB 3.32Å; Q337-A341 PolarHBondContact O-N 2.84Å |
| 338 | E | 79.6 | Confident | 82.7 | Confident | 100 Ų | 100 | 75.2 Ų | 75.2 | 47% | 0.467 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 174.1 | -162.8 | -176.6 | 164.7 | 0 | 0 | 110.3 | A341 L342 F357 K361 | E338-A341 PolarHBondContact O-N 3.27Å; E338-L342 PolarHBondContact O-N 3.08Å; E338-L342 VanDerWaalsContact O-N 3.1Å; E338-F357 HydrophobicContact CB-CE2 4.47Å; E338-F357 HydrophobicContact CB-CZ 4.22Å; E338-F357 HydrophobicContact CG-CE2 3.78Å; E338-F357 HydrophobicContact CG-CZ 3.86Å; E338-F357 VanDerWaalsContact OE1-CE2 3.32Å; E338-F357 WeakPolarHBondContact OE1-CE2 3.27Å; E338-F357 WeakPolarHBondContact OE1-CZ 3.38Å; E338-F357 WeakPolarHBondContact OE2-CZ 3.28Å; E338-K361 VanDerWaalsContact CD-NZ 3.27Å; E338-K361 WeakPolarHBondContact OE1-CE 3.19Å; E338-K361 IonicContact OE1-NZ 3.39Å; E338-K361 PolarHBondContact OE1-NZ 3.4Å; E338-K361 VanDerWaalsContact OE1-NZ 3.08Å; E338-K361 IonicContact OE2-NZ 3.59Å; E338-K361 PolarHBondContact OE2-NZ 2.96Å |
| 339 | L | 83.4 | Confident | 82.3 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 9% | 0.094 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 176.8 | -172 | 76.7 | 0 | 0 | 0 | 113 | M336 Q337 A341 L342 Q343 C353 L354 F357 | M336-L339 PolarHBondContact O-N 3.47Å; Q337-L339 VanDerWaalsContact C-N 3.35Å; L339-A341 VanDerWaalsContact C-N 3.32Å; L339-A341 PolarHBondContact O-N 3.36Å; L339-L342 PolarHBondContact O-N 2.99Å; L339-Q343 WeakPolarHBondContact O-CB 3.44Å; L339-Q343 PolarHBondContact O-N 3.47Å; L339-C353 HydrophobicContact CD1-CB 4.3Å; L339-L354 HydrophobicContact CD1-CB 4.2Å; L339-L354 HydrophobicContact CD1-CD1 4.19Å; L339-L354 HydrophobicContact CD2-CB 4.28Å; L339-L354 HydrophobicContact CD2-CD1 4.13Å; L339-F357 HydrophobicContact CD1-CB 3.9Å; L339-F357 HydrophobicContact CD1-CD1 4.14Å; L339-F357 HydrophobicContact CD1-CG 4.06Å |
| 340 | M | 80 | Confident | 81.9 | Confident | 65 Ų | 65 | 71.8 Ų | 71.8 | 32% | 0.32 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.2 | -34.5 | -179.7 | -76 | 179.3 | 179.9 | 0 | 0 | 111.8 | M336 Q337 K344 | M336-M340 HydrophobicContact CB-CE 4.43Å; M336-M340 HydrophobicContact CE-CE 3.97Å; M336-M340 VanDerWaalsContact O-CB 3.28Å; M336-M340 WeakPolarHBondContact O-CB 3.46Å; M336-M340 WeakPolarHBondContact O-CG 3.32Å; M336-M340 PolarHBondContact O-N 3.1Å; Q337-M340 PolarHBondContact O-N 2.78Å; M340-K344 WeakPolarHBondContact O-CB 3.46Å; M340-K344 VanDerWaalsContact O-CG 3.27Å; M340-K344 WeakPolarHBondContact O-CG 3.45Å; M340-K344 PolarHBondContact O-N 3.45Å; M340-K344 VanDerWaalsContact O-N 3.1Å |
| 341 | A | 82.1 | Confident | 81.7 | Confident | 61 Ų | 61 | 81.5 Ų | 81.5 | 50% | 0.504 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.7 | -46.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q337 E338 L339 K344 S345 | Q337-A341 WeakPolarHBondContact O-CB 3.32Å; Q337-A341 PolarHBondContact O-N 2.84Å; E338-A341 PolarHBondContact O-N 3.27Å; L339-A341 VanDerWaalsContact C-N 3.32Å; L339-A341 PolarHBondContact O-N 3.36Å; A341-K344 PolarHBondContact O-N 2.69Å; A341-S345 PolarHBondContact O-N 2.74Å; A341-S345 VanDerWaalsContact O-N 3.14Å |
| 342 | L | 81.1 | Confident | 81.9 | Confident | 46 Ų | 46 | 81.2 Ų | 81.2 | 24% | 0.241 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 176.3 | -175.4 | 64.5 | 0 | 0 | 0 | 111.8 | E338 L339 K344 S345 C346 F357 | E338-L342 PolarHBondContact O-N 3.08Å; E338-L342 VanDerWaalsContact O-N 3.1Å; L339-L342 PolarHBondContact O-N 2.99Å; L342-K344 VanDerWaalsContact C-N 3.3Å; L342-K344 PolarHBondContact O-N 3.32Å; L342-S345 PolarHBondContact O-N 3.46Å; L342-S345 PolarHBondContact O-OG 3.33Å; L342-C346 WeakPolarHBondContact O-CB 3.45Å; L342-C346 PolarHBondContact O-N 3.01Å; L342-C346 PolarHBondContact O-SG 3.14Å; L342-F357 HydrophobicContact CD2-CB 4.11Å; L342-F357 HydrophobicContact CD2-CD2 3.92Å; L342-F357 HydrophobicContact CD2-CG 4.48Å |
| 343 | Q | 84.3 | Confident | 82.1 | Confident | 62 Ų | 62 | 76.3 Ų | 76.3 | 29% | 0.29 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.7 | -42.7 | 178.3 | -166.4 | -153.3 | -35.8 | 0 | 0 | 111.6 | L339 S345 C346 S347 I348 C353 | L339-Q343 WeakPolarHBondContact O-CB 3.44Å; L339-Q343 PolarHBondContact O-N 3.47Å; Q343-S345 VanDerWaalsContact C-N 3.31Å; Q343-S345 PolarHBondContact O-N 2.89Å; Q343-C346 PolarHBondContact O-N 3.02Å; Q343-S347 PolarHBondContact O-N 3.38Å; Q343-I348 WeakPolarHBondContact CG-O 3.46Å; Q343-C353 HydrophobicContact CB-CB 4.17Å; Q343-C353 HydrophobicContact CG-CB 4.2Å; Q343-C353 PolarHBondContact N-SG 3.43Å; Q343-C353 VanDerWaalsContact N-SG 3.43Å |
| 344 | K | 84.2 | Confident | 82.6 | Confident | 145 Ų | 145 | 78.5 Ų | 78.5 | 63% | 0.63 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.4 | -33.4 | 175.5 | -76.2 | 173.4 | 178.8 | -177.9 | 0 | 112.9 | M340 A341 L342 | M340-K344 WeakPolarHBondContact O-CB 3.46Å; M340-K344 VanDerWaalsContact O-CG 3.27Å; M340-K344 WeakPolarHBondContact O-CG 3.45Å; M340-K344 PolarHBondContact O-N 3.45Å; M340-K344 VanDerWaalsContact O-N 3.1Å; A341-K344 PolarHBondContact O-N 2.69Å; L342-K344 VanDerWaalsContact C-N 3.3Å; L342-K344 PolarHBondContact O-N 3.32Å |
| 345 | S | 83.7 | Confident | 83.3 | Confident | 88 Ų | 88 | 79.8 Ų | 79.8 | 62% | 0.615 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -80 | -30.2 | 176.2 | 63.1 | 0 | 0 | 0 | 0 | 114.3 | A341 L342 Q343 | A341-S345 PolarHBondContact O-N 2.74Å; A341-S345 VanDerWaalsContact O-N 3.14Å; L342-S345 PolarHBondContact O-N 3.46Å; L342-S345 PolarHBondContact O-OG 3.33Å; Q343-S345 VanDerWaalsContact C-N 3.31Å; Q343-S345 PolarHBondContact O-N 2.89Å |
| 346 | C | 78.8 | Confident | 83.8 | Confident | 52 Ų | 52 | 78.5 Ų | 78.5 | 35% | 0.351 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -98.6 | -11 | -172.9 | -65.6 | 0 | 0 | 0 | 0 | 114.5 | L342 Q343 I348 | L342-C346 WeakPolarHBondContact O-CB 3.45Å; L342-C346 PolarHBondContact O-N 3.01Å; L342-C346 PolarHBondContact O-SG 3.14Å; Q343-C346 PolarHBondContact O-N 3.02Å; C346-I348 HydrophobicContact CB-CD1 3.89Å; C346-I348 HydrophobicContact CB-CG1 3.8Å; C346-I348 HydrophobicContact CB-CG2 4.49Å; C346-I348 WeakPolarHBondContact O-CG2 3.41Å; C346-I348 PolarHBondContact O-N 3.1Å |
| 347 | S | 83 | Confident | 84.1 | Confident | 118 Ų | 118 | 76.3 Ų | 76.3 | 83% | 0.825 | 41% | 0.407 | S | S | * | . | trans | 51.2 | 17 | -176.8 | 61.1 | 0 | 0 | 0 | 0 | 116.5 | Q343 | Q343-S347 PolarHBondContact O-N 3.38Š| ||
| 348 | I | 82.5 | Confident | 84.4 | Confident | 64 Ų | 64 | 77.4 Ų | 77.4 | 33% | 0.328 | 41% | 0.414 | S | S | . | . | trans | -83.9 | 164.1 | 175.6 | 57.5 | -176.9 | 0 | 0 | 0 | 112.3 | Q343 C346 C353 | Q343-I348 WeakPolarHBondContact CG-O 3.46Å; C346-I348 HydrophobicContact CB-CD1 3.89Å; C346-I348 HydrophobicContact CB-CG1 3.8Å; C346-I348 HydrophobicContact CB-CG2 4.49Å; C346-I348 WeakPolarHBondContact O-CG2 3.41Å; C346-I348 PolarHBondContact O-N 3.1Å; I348-C353 HydrophobicContact CD1-CB 3.88Å; I348-C353 HydrophobicContact CG1-CB 3.93Å | ||
| 349 | S | 85.7 | Confident | 84.8 | Confident | 49 Ų | 49 | 78.2 Ų | 78.2 | 34% | 0.343 | 42% | 0.416 | S | S | . | . | trans | -58.5 | 148.2 | 175.8 | 96.8 | 0 | 0 | 0 | 0 | 111.1 | R351 D352 C353 | S349-R351 PolarHBondContact O-N 3.4Å; S349-R351 PolarHBondContact OG-N 2.91Å; S349-D352 WeakPolarHBondContact CB-OD2 3.49Å; S349-D352 PolarHBondContact O-N 3.34Å; S349-D352 VanDerWaalsContact O-N 3.13Å; S349-D352 VanDerWaalsContact OG-CG 3.29Å; S349-D352 PolarHBondContact OG-N 3.18Å; S349-D352 VanDerWaalsContact OG-N 3.1Å; S349-D352 PolarHBondContact OG-OD2 3.13Å; S349-C353 WeakPolarHBondContact O-CB 3.43Å; S349-C353 PolarHBondContact O-N 3.43Å | ||
| 350 | P | 83.7 | Confident | 85 | Confident | 76 Ų | 76 | 82.7 Ų | 82.7 | 49% | 0.494 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56.3 | -34.2 | 177 | -21.5 | 28.5 | 0 | 0 | 0 | 113.2 | L354 | P350-L354 WeakPolarHBondContact O-CB 3.34Å; P350-L354 PolarHBondContact O-N 3.01Å; P350-L354 VanDerWaalsContact O-N 3.08Å |
| 351 | R | 87.1 | Confident | 85.2 | Confident | 206 Ų | 206 | 84.3 Ų | 84.3 | 78% | 0.777 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -69.2 | -41.5 | 178.1 | -75 | -170.1 | 175.6 | -169.1 | 0.7 | 111.9 | S349 L354 K355 | S349-R351 PolarHBondContact O-N 3.4Å; S349-R351 PolarHBondContact OG-N 2.91Å; R351-L354 PolarHBondContact O-N 3.44Å; R351-K355 WeakPolarHBondContact O-CG 3.13Å; R351-K355 PolarHBondContact O-N 3.08Å |
| 352 | D | 88.8 | Confident | 85.5 | Confident | 63 Ų | 63 | 88.5 Ų | 88.5 | 34% | 0.337 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -78.9 | -29.4 | -178.6 | -55.8 | -51.1 | 0 | 0 | 0 | 111.9 | S349 L354 K355 S356 | S349-D352 WeakPolarHBondContact CB-OD2 3.49Å; S349-D352 PolarHBondContact O-N 3.34Å; S349-D352 VanDerWaalsContact O-N 3.13Å; S349-D352 VanDerWaalsContact OG-CG 3.29Å; S349-D352 PolarHBondContact OG-N 3.18Å; S349-D352 VanDerWaalsContact OG-N 3.1Å; S349-D352 PolarHBondContact OG-OD2 3.13Å; D352-L354 VanDerWaalsContact C-N 3.32Å; D352-K355 PolarHBondContact O-N 3.45Å; D352-K355 IonicContact OD1-NZ 3.35Å; D352-K355 PolarHBondContact OD1-NZ 2.95Å; D352-S356 WeakPolarHBondContact O-CB 3.43Å; D352-S356 PolarHBondContact O-N 3.34Å; D352-S356 PolarHBondContact O-OG 3.46Å |
| 353 | C | 88 | Confident | 85.8 | Confident | 0 Ų | 0 | 90.5 Ų | 90.5 | 0% | 0 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -57.3 | -46.8 | 164.8 | -166.6 | 0 | 0 | 0 | 0 | 110.9 | L339 Q343 I348 S349 S356 F357 | L339-C353 HydrophobicContact CD1-CB 4.3Å; Q343-C353 HydrophobicContact CB-CB 4.17Å; Q343-C353 HydrophobicContact CG-CB 4.2Å; Q343-C353 PolarHBondContact N-SG 3.43Å; Q343-C353 VanDerWaalsContact N-SG 3.43Å; I348-C353 HydrophobicContact CD1-CB 3.88Å; I348-C353 HydrophobicContact CG1-CB 3.93Å; S349-C353 WeakPolarHBondContact O-CB 3.43Å; S349-C353 PolarHBondContact O-N 3.43Å; C353-S356 PolarHBondContact O-N 2.91Å; C353-F357 WeakPolarHBondContact O-CB 3.16Å; C353-F357 PolarHBondContact O-N 3.46Å |
| 354 | L | 88.8 | Confident | 85.9 | Confident | 83 Ų | 83 | 90.3 Ų | 90.3 | 44% | 0.435 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 178.4 | -178.5 | 62.8 | 0 | 0 | 0 | 112.1 | L339 P350 R351 D352 F357 M358 | L339-L354 HydrophobicContact CD1-CB 4.2Å; L339-L354 HydrophobicContact CD1-CD1 4.19Å; L339-L354 HydrophobicContact CD2-CB 4.28Å; L339-L354 HydrophobicContact CD2-CD1 4.13Å; P350-L354 WeakPolarHBondContact O-CB 3.34Å; P350-L354 PolarHBondContact O-N 3.01Å; P350-L354 VanDerWaalsContact O-N 3.08Å; R351-L354 PolarHBondContact O-N 3.44Å; D352-L354 VanDerWaalsContact C-N 3.32Å; L354-F357 PolarHBondContact O-N 3.31Å; L354-M358 HydrophobicContact CD1-CG 3.84Å; L354-M358 HydrophobicContact CD1-SD 4.47Å; L354-M358 HydrophobicContact CG-CG 4.3Å; L354-M358 WeakPolarHBondContact O-CB 3.49Å; L354-M358 WeakPolarHBondContact O-CG 3.49Å; L354-M358 PolarHBondContact O-N 3.46Å |
| 355 | K | 88.7 | Confident | 85.7 | Confident | 136 Ų | 136 | 88.8 Ų | 88.8 | 59% | 0.591 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -56.6 | -52.6 | 175.1 | -69.6 | 172.8 | -169.4 | 161.5 | 0 | 111.3 | R351 D352 F357 M358 F359 | R351-K355 WeakPolarHBondContact O-CG 3.13Å; R351-K355 PolarHBondContact O-N 3.08Å; D352-K355 PolarHBondContact O-N 3.45Å; D352-K355 IonicContact OD1-NZ 3.35Å; D352-K355 PolarHBondContact OD1-NZ 2.95Å; K355-F357 PolarHBondContact O-N 2.96Å; K355-M358 PolarHBondContact O-N 3.44Å; K355-F359 VanDerWaalsContact O-CB 3.28Å; K355-F359 WeakPolarHBondContact O-CB 3.44Å; K355-F359 PolarHBondContact O-N 2.92Å |
| 356 | S | 86.6 | Confident | 85.4 | Confident | 50 Ų | 50 | 87.3 Ų | 87.3 | 35% | 0.35 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | -177.7 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | D352 C353 F359 Q360 | D352-S356 WeakPolarHBondContact O-CB 3.43Å; D352-S356 PolarHBondContact O-N 3.34Å; D352-S356 PolarHBondContact O-OG 3.46Å; C353-S356 PolarHBondContact O-N 2.91Å; S356-F359 PolarHBondContact O-N 2.58Å; S356-Q360 WeakPolarHBondContact O-CB 3.31Å; S356-Q360 VanDerWaalsContact O-CG 3.31Å; S356-Q360 WeakPolarHBondContact O-CG 3.46Å; S356-Q360 PolarHBondContact O-N 3.1Å |
| 357 | F | 86.2 | Confident | 85.3 | Confident | 23 Ų | 23 | 88.5 Ų | 88.5 | 10% | 0.101 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 179.3 | 178.9 | -102.1 | 0 | 0 | 0 | 112.9 | E338 L339 L342 C353 L354 K355 F359 Q360 K361 | E338-F357 HydrophobicContact CB-CE2 4.47Å; E338-F357 HydrophobicContact CB-CZ 4.22Å; E338-F357 HydrophobicContact CG-CE2 3.78Å; E338-F357 HydrophobicContact CG-CZ 3.86Å; E338-F357 VanDerWaalsContact OE1-CE2 3.32Å; E338-F357 WeakPolarHBondContact OE1-CE2 3.27Å; E338-F357 WeakPolarHBondContact OE1-CZ 3.38Å; E338-F357 WeakPolarHBondContact OE2-CZ 3.28Å; L339-F357 HydrophobicContact CD1-CB 3.9Å; L339-F357 HydrophobicContact CD1-CD1 4.14Å; L339-F357 HydrophobicContact CD1-CG 4.06Å; L342-F357 HydrophobicContact CD2-CB 4.11Å; L342-F357 HydrophobicContact CD2-CD2 3.92Å; L342-F357 HydrophobicContact CD2-CG 4.48Å; C353-F357 WeakPolarHBondContact O-CB 3.16Å; C353-F357 PolarHBondContact O-N 3.46Å; L354-F357 PolarHBondContact O-N 3.31Å; K355-F357 PolarHBondContact O-N 2.96Å; F357-F359 VanDerWaalsContact C-N 3.31Å; F357-F359 PolarHBondContact O-N 3.47Å; F357-Q360 PolarHBondContact O-N 3.24Å; F357-K361 HydrophobicContact CE1-CD 3.94Å; F357-K361 HydrophobicContact CE2-CD 4.44Å; F357-K361 HydrophobicContact CZ-CD 3.87Å; F357-K361 VanDerWaalsContact CZ-NZ 3.28Å; F357-K361 PolarHBondContact O-N 3.31Å |
| 358 | M | 86.2 | Confident | 84.5 | Confident | 121 Ų | 121 | 87.7 Ų | 87.7 | 60% | 0.596 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.7 | -39.3 | 176.4 | -68.4 | -71 | -81 | 0 | 0 | 111.2 | L354 K355 K361 W362 | L354-M358 HydrophobicContact CD1-CG 3.84Å; L354-M358 HydrophobicContact CD1-SD 4.47Å; L354-M358 HydrophobicContact CG-CG 4.3Å; L354-M358 WeakPolarHBondContact O-CB 3.49Å; L354-M358 WeakPolarHBondContact O-CG 3.49Å; L354-M358 PolarHBondContact O-N 3.46Å; K355-M358 PolarHBondContact O-N 3.44Å; M358-K361 PolarHBondContact O-N 2.82Å; M358-W362 WeakPolarHBondContact O-CB 3.28Å; M358-W362 PolarHBondContact O-N 3.46Å |
| 359 | F | 88.7 | Confident | 83.4 | Confident | 117 Ų | 117 | 89.8 Ų | 89.8 | 51% | 0.513 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 176.1 | -172 | -122.7 | 0 | 0 | 0 | 112.3 | K355 S356 F357 W362 Q363 | K355-F359 VanDerWaalsContact O-CB 3.28Å; K355-F359 WeakPolarHBondContact O-CB 3.44Å; K355-F359 PolarHBondContact O-N 2.92Å; S356-F359 PolarHBondContact O-N 2.58Å; F357-F359 VanDerWaalsContact C-N 3.31Å; F357-F359 PolarHBondContact O-N 3.47Å; F359-W362 AromaticContact CD2-CE3 3.91Å; F359-W362 HydrophobicContact CD2-CE3 3.91Å; F359-W362 HydrophobicContact CD2-CZ3 4.3Å; F359-W362 AromaticContact CE2-CE3 3.85Å; F359-W362 HydrophobicContact CE2-CE3 3.85Å; F359-W362 AromaticContact CE2-CZ3 3.75Å; F359-W362 HydrophobicContact CE2-CZ3 3.75Å; F359-W362 PolarHBondContact O-N 2.93Å; F359-Q363 WeakPolarHBondContact O-CG 3.35Å; F359-Q363 PolarHBondContact O-N 3.42Å |
| 360 | Q | 85.8 | Confident | 82 | Confident | 112 Ų | 112 | 94.5 Ų | 94.5 | 52% | 0.523 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 173.9 | -76.2 | 173.9 | -2.6 | 0 | 0 | 112.2 | S356 F357 W362 Q363 A364 | S356-Q360 WeakPolarHBondContact O-CB 3.31Å; S356-Q360 VanDerWaalsContact O-CG 3.31Å; S356-Q360 WeakPolarHBondContact O-CG 3.46Å; S356-Q360 PolarHBondContact O-N 3.1Å; F357-Q360 PolarHBondContact O-N 3.24Å; Q360-W362 VanDerWaalsContact C-N 3.32Å; Q360-W362 PolarHBondContact O-N 2.84Å; Q360-Q363 PolarHBondContact O-N 2.94Å; Q360-A364 WeakPolarHBondContact O-CB 3.38Å; Q360-A364 PolarHBondContact O-N 3.3Å |
| 361 | K | 84.2 | Confident | 80.6 | Confident | 99 Ų | 99 | 96.2 Ų | 96.2 | 43% | 0.43 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 175.9 | -79 | -166.8 | 173.1 | 179.8 | 0 | 112.2 | E338 F357 M358 H365 | E338-K361 VanDerWaalsContact CD-NZ 3.27Å; E338-K361 WeakPolarHBondContact OE1-CE 3.19Å; E338-K361 IonicContact OE1-NZ 3.39Å; E338-K361 PolarHBondContact OE1-NZ 3.4Å; E338-K361 VanDerWaalsContact OE1-NZ 3.08Å; E338-K361 IonicContact OE2-NZ 3.59Å; E338-K361 PolarHBondContact OE2-NZ 2.96Å; F357-K361 HydrophobicContact CE1-CD 3.94Å; F357-K361 HydrophobicContact CE2-CD 4.44Å; F357-K361 HydrophobicContact CZ-CD 3.87Å; F357-K361 VanDerWaalsContact CZ-NZ 3.28Å; F357-K361 PolarHBondContact O-N 3.31Å; M358-K361 PolarHBondContact O-N 2.82Å; K361-H365 PolarHBondContact O-N 2.89Å; K361-H365 VanDerWaalsContact O-N 3.14Å |
| 362 | W | 88.9 | Confident | 79 | Confident | 149 Ų | 149 | 90.5 Ų | 90.5 | 56% | 0.564 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.9 | -49.8 | 172.3 | 175.1 | 81.8 | 0 | 0 | 0 | 111.9 | M358 F359 Q360 A364 H365 N366 | M358-W362 WeakPolarHBondContact O-CB 3.28Å; M358-W362 PolarHBondContact O-N 3.46Å; F359-W362 AromaticContact CD2-CE3 3.91Å; F359-W362 HydrophobicContact CD2-CE3 3.91Å; F359-W362 HydrophobicContact CD2-CZ3 4.3Å; F359-W362 AromaticContact CE2-CE3 3.85Å; F359-W362 HydrophobicContact CE2-CE3 3.85Å; F359-W362 AromaticContact CE2-CZ3 3.75Å; F359-W362 HydrophobicContact CE2-CZ3 3.75Å; F359-W362 PolarHBondContact O-N 2.93Å; Q360-W362 VanDerWaalsContact C-N 3.32Å; Q360-W362 PolarHBondContact O-N 2.84Å; W362-A364 PolarHBondContact O-N 3.44Å; W362-H365 PolarHBondContact O-N 3.36Å; W362-N366 PolarHBondContact NE1-ND2 3.14Å; W362-N366 PolarHBondContact O-N 3.46Å; W362-N366 VanDerWaalsContact O-N 3.12Å; W362-N366 PolarHBondContact O-ND2 3.49Å |
| 363 | Q | 87.6 | Confident | 77.2 | Confident | 88 Ų | 88 | 95.1 Ų | 95.1 | 41% | 0.411 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58 | -47 | 177.3 | -74.8 | -172.1 | 0.9 | 0 | 0 | 112.1 | F359 Q360 H365 N366 V367 | F359-Q363 WeakPolarHBondContact O-CG 3.35Å; F359-Q363 PolarHBondContact O-N 3.42Å; Q360-Q363 PolarHBondContact O-N 2.94Å; Q363-H365 VanDerWaalsContact C-N 3.31Å; Q363-H365 PolarHBondContact O-N 2.94Å; Q363-N366 PolarHBondContact O-N 3.46Å; Q363-N366 VanDerWaalsContact O-N 3.14Å; Q363-V367 WeakPolarHBondContact O-CG2 3.43Å; Q363-V367 PolarHBondContact O-N 3.14Å |
| 364 | A | 85.9 | Confident | 75.4 | Confident | 57 Ų | 57 | 102.4 Ų | 102.4 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.2 | -43.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q360 W362 N366 V367 V368 | Q360-A364 WeakPolarHBondContact O-CB 3.38Å; Q360-A364 PolarHBondContact O-N 3.3Å; W362-A364 PolarHBondContact O-N 3.44Å; A364-N366 PolarHBondContact O-N 3.07Å; A364-V367 PolarHBondContact O-N 2.88Å; A364-V368 WeakPolarHBondContact O-CG2 3.42Å; A364-V368 PolarHBondContact O-N 3.03Å |
| 365 | H | 80 | Confident | 73.4 | Confident | 113 Ų | 113 | 108 Ų | 108 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 176.7 | -172.4 | -86.9 | 0 | 0 | 0 | 112.7 | K361 W362 Q363 V368 Q369 | K361-H365 PolarHBondContact O-N 2.89Å; K361-H365 VanDerWaalsContact O-N 3.14Å; W362-H365 PolarHBondContact O-N 3.36Å; Q363-H365 VanDerWaalsContact C-N 3.31Å; Q363-H365 PolarHBondContact O-N 2.94Å; H365-V368 PolarHBondContact O-N 3.35Å; H365-Q369 PolarHBondContact O-N 3.49Å |
| 366 | N | 79 | Confident | 71 | Confident | 58 Ų | 58 | 104.8 Ų | 104.8 | 31% | 0.31 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 177.8 | -75.8 | -89.1 | 0 | 0 | 0 | 112.3 | W362 Q363 A364 V368 Q369 Q370 | W362-N366 PolarHBondContact NE1-ND2 3.14Å; W362-N366 PolarHBondContact O-N 3.46Å; W362-N366 VanDerWaalsContact O-N 3.12Å; W362-N366 PolarHBondContact O-ND2 3.49Å; Q363-N366 PolarHBondContact O-N 3.46Å; Q363-N366 VanDerWaalsContact O-N 3.14Å; A364-N366 PolarHBondContact O-N 3.07Å; N366-V368 VanDerWaalsContact C-N 3.33Å; N366-V368 PolarHBondContact O-N 3.27Å; N366-Q369 PolarHBondContact O-N 2.77Å; N366-Q370 PolarHBondContact O-N 3.09Å |
| 367 | V | 75.6 | Confident | 68.9 | Low | 76 Ų | 76 | 110.7 Ų | 110.7 | 46% | 0.461 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.1 | -36.2 | 177.3 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | Q363 A364 H371 | Q363-V367 WeakPolarHBondContact O-CG2 3.43Å; Q363-V367 PolarHBondContact O-N 3.14Å; A364-V367 PolarHBondContact O-N 2.88Å; V367-H371 PolarHBondContact O-N 3.12Å; V367-H371 VanDerWaalsContact O-N 3.13Å; V367-H371 PolarHBondContact O-ND1 3.32Å |
| 368 | V | 66.1 | Low | 66.8 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 62% | 0.618 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.6 | -42.6 | 173.8 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | A364 H365 N366 H371 S372 | A364-V368 WeakPolarHBondContact O-CG2 3.42Å; A364-V368 PolarHBondContact O-N 3.03Å; H365-V368 PolarHBondContact O-N 3.35Å; N366-V368 VanDerWaalsContact C-N 3.33Å; N366-V368 PolarHBondContact O-N 3.27Å; V368-H371 PolarHBondContact O-N 3.43Å; V368-S372 PolarHBondContact O-N 2.96Å; V368-S372 VanDerWaalsContact O-N 3.09Å |
| 369 | Q | 59.3 | Low | 64.6 | Low | 108 Ų | 108 | 115.7 Ų | 115.7 | 51% | 0.505 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.2 | -44 | 174.4 | -81.4 | -172.6 | -28.8 | 0 | 0 | 112.4 | H365 N366 H371 S372 M373 | H365-Q369 PolarHBondContact O-N 3.49Å; N366-Q369 PolarHBondContact O-N 2.77Å; Q369-H371 PolarHBondContact O-N 3.04Å; Q369-S372 PolarHBondContact O-N 3.29Å; Q369-S372 PolarHBondContact O-OG 3.22Å; Q369-M373 PolarHBondContact O-N 3.22Å |
| 370 | Q | 56.4 | Low | 62 | Low | 148 Ų | 148 | 119.3 Ų | 119.3 | 69% | 0.692 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62 | -41.3 | 177.1 | -77.1 | -174.1 | -18.5 | 0 | 0 | 113.1 | N366 S372 M373 H374 | N366-Q370 PolarHBondContact O-N 3.09Å; Q370-S372 VanDerWaalsContact C-N 3.31Å; Q370-S372 PolarHBondContact O-N 3Å; Q370-M373 PolarHBondContact O-N 3.42Å; Q370-H374 PolarHBondContact O-N 3.28Å |
| 371 | H | 54.1 | Low | 60.2 | Low | 112 Ų | 112 | 123.6 Ų | 123.6 | 52% | 0.519 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.4 | -32.3 | 175.2 | -79 | 98.6 | 0 | 0 | 0 | 113 | V367 V368 Q369 M373 H374 | V367-H371 PolarHBondContact O-N 3.12Å; V367-H371 VanDerWaalsContact O-N 3.13Å; V367-H371 PolarHBondContact O-ND1 3.32Å; V368-H371 PolarHBondContact O-N 3.43Å; Q369-H371 PolarHBondContact O-N 3.04Å; H371-M373 PolarHBondContact O-N 3.41Å; H371-H374 PolarHBondContact O-N 3.38Å |
| 372 | S | 53.7 | Low | 58.2 | Low | 85 Ų | 85 | 125.3 Ų | 125.3 | 59% | 0.594 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -64.7 | -27.4 | 175.3 | 76.4 | 0 | 0 | 0 | 0 | 113.6 | V368 Q369 Q370 | V368-S372 PolarHBondContact O-N 2.96Å; V368-S372 VanDerWaalsContact O-N 3.09Å; Q369-S372 PolarHBondContact O-N 3.29Å; Q369-S372 PolarHBondContact O-OG 3.22Å; Q370-S372 VanDerWaalsContact C-N 3.31Å; Q370-S372 PolarHBondContact O-N 3Å |
| 373 | M | 52.2 | Low | 55.8 | Low | 160 Ų | 160 | 122.2 Ų | 122.2 | 79% | 0.788 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -86 | -25.5 | 179.4 | -66.6 | -68.7 | -76.8 | 0 | 0 | 113.5 | Q369 Q370 H371 | Q369-M373 PolarHBondContact O-N 3.22Å; Q370-M373 PolarHBondContact O-N 3.42Å; H371-M373 PolarHBondContact O-N 3.41Å |
| 374 | H | 50.5 | Low | 53.7 | Low | 154 Ų | 154 | 121.3 Ų | 121.3 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -88.5 | -16 | -172.6 | -156.5 | 66.5 | 0 | 0 | 0 | 115 | Q370 H371 | Q370-H374 PolarHBondContact O-N 3.28Å; H371-H374 PolarHBondContact O-N 3.38Å |
| 375 | Y | 44.9 | Very low | 51.7 | Low | 200 Ų | 200 | 124.6 Ų | 124.6 | 78% | 0.784 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 5.3 | 177.5 | -83 | -81.4 | 0 | 0 | 0 | 114.7 | ||
| 376 | G | 39.5 | Very low | 50 | Low | 69 Ų | 69 | 125.4 Ų | 125.4 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -88.5 | 1.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 377 | H | 43.2 | Very low | 48.3 | Very low | 174 Ų | 174 | 127.8 Ų | 127.8 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -139 | 23.9 | -165.6 | -157.7 | 54 | 0 | 0 | 0 | 116.7 | ||
| 378 | L | 41.6 | Very low | 46.4 | Very low | 172 Ų | 172 | 128.6 Ų | 128.6 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | trans | -134.4 | 95.2 | 172.3 | -70.6 | 174.6 | 0 | 0 | 0 | 110.2 | ||||
| 379 | G | 39.5 | Very low | 45.3 | Very low | 77 Ų | 77 | 131.3 Ų | 131.3 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -173.8 | 9.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | F381 | G379-F381 PolarHBondContact O-N 2.61Š| ||
| 380 | E | 35.1 | Very low | 44.2 | Very low | 193 Ų | 193 | 131.2 Ų | 131.2 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -87.8 | 94.3 | 171.7 | -83.8 | -176.5 | 114.6 | 0 | 0 | 111.4 | ||||
| 381 | F | 47.2 | Very low | 43.5 | Very low | 201 Ų | 201 | 133.2 Ų | 133.2 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | -137 | 121.5 | 161.5 | -91.5 | -78.3 | 0 | 0 | 0 | 110.3 | G379 G383 | G379-F381 PolarHBondContact O-N 2.61Å; F381-G383 PolarHBondContact O-N 3.33Å | ||
| 382 | P | 41.3 | Very low | 42.7 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -87.7 | 108.3 | -179 | 32.7 | -31.7 | 0 | 0 | 0 | 111.3 | ||||
| 383 | G | 38.4 | Very low | 41.8 | Very low | 84 Ų | 84 | 138 Ų | 138 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | 147.5 | 103.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | F381 | F381-G383 PolarHBondContact O-N 3.33Š| ||
| 384 | G | 43.8 | Very low | 41.7 | Very low | 68 Ų | 68 | 138.9 Ų | 138.9 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | trans | 158.2 | 125.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 385 | P | 44.8 | Very low | 41.5 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 140.8 | -176 | 31.9 | -34.1 | 0 | 0 | 0 | 111.9 | A387 | P385-A387 PolarHBondContact O-N 3.14Š|
| 386 | P | 43.6 | Very low | 41.8 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 116.7 | 177.9 | 31 | -32.6 | 0 | 0 | 0 | 111.3 | ||
| 387 | A | 44.3 | Very low | 41.9 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 88% | 0.884 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 130.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110 | P385 | P385-A387 PolarHBondContact O-N 3.14Š|
| 388 | A | 35.9 | Very low | 41.9 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 132.1 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 389 | I | 42.1 | Very low | 42.3 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 82% | 0.815 | 82% | 0.82 | S | S | * | * | trans | -144.5 | 90.9 | 150.5 | -55.5 | -177 | 0 | 0 | 0 | 106.5 | ||||
| 390 | S | 36.6 | Very low | 42.2 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | 61.5 | 84.2 | 91 | -61.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 391 | Q | 40.7 | Very low | 42.6 | Very low | 190 Ų | 190 | 138.8 Ų | 138.8 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | -132.2 | 150.1 | 150.9 | -77.2 | -153 | 2.7 | 0 | 0 | 110.9 | ||||
| 392 | P | 38.1 | Very low | 42 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | trans | -89.2 | 139 | -156.8 | 32.9 | -33.7 | 0 | 0 | 0 | 114.7 | ||||
| 393 | M | 35.4 | Very low | 42.1 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 86% | 0.862 | 81% | 0.812 | S | S | * | * | trans | -54.5 | 131.9 | 169.5 | 174.6 | -179.4 | 167.3 | 0 | 0 | 113 | ||||
| 394 | M | 49 | Very low | 42.3 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -121.2 | 118.2 | 164.8 | -150.7 | 173 | 85.2 | 0 | 0 | 108.6 | ||||
| 395 | P | 46.8 | Very low | 42.1 | Very low | 91 Ų | 91 | 140.2 Ų | 140.2 | 59% | 0.591 | 81% | 0.806 | S | S | * | * | trans | -87.3 | 146.1 | -176.1 | 33.7 | -33.4 | 0 | 0 | 0 | 111.9 | ||||
| 396 | P | 50.7 | Low | 41.6 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -76.5 | 131.9 | 166.8 | 31.3 | -31.7 | 0 | 0 | 0 | 110.3 | ||||
| 397 | E | 41.8 | Very low | 41.6 | Very low | 196 Ų | 196 | 149.2 Ų | 149.2 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -104.9 | 118.5 | 174.4 | -175.7 | 176.5 | -161.1 | 0 | 0 | 108.9 | ||||
| 398 | D | 43.9 | Very low | 41.2 | Very low | 157 Ų | 157 | 152.8 Ų | 152.8 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -141 | 126.4 | 176.9 | -128.6 | -32.2 | 0 | 0 | 0 | 112.2 | ||||
| 399 | A | 49.7 | Very low | 41.6 | Very low | 85 Ų | 85 | 160.1 Ų | 160.1 | 70% | 0.702 | 81% | 0.81 | S | S | * | * | trans | 42.3 | 132.1 | 164 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 400 | P | 37.2 | Very low | 41.3 | Very low | 129 Ų | 129 | 161.9 Ų | 161.9 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -85.4 | 140.3 | 178.7 | 34.5 | -34.7 | 0 | 0 | 0 | 113.8 | ||||
| 401 | R | 42.5 | Very low | 41.5 | Very low | 249 Ų | 249 | 159.9 Ų | 159.9 | 94% | 0.94 | 81% | 0.808 | S | S | * | * | trans | -150.1 | 150.1 | 155.5 | -107.6 | 169.7 | -168.8 | -134.5 | 1.5 | 112.3 | ||||
| 402 | P | 36.6 | Very low | 41.7 | Very low | 103 Ų | 103 | 155.8 Ų | 155.8 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | trans | -119.4 | 157.8 | -150.6 | 41.7 | -31.5 | 0 | 0 | 0 | 117.1 | ||||
| 403 | T | 41.5 | Very low | 41.9 | Very low | 137 Ų | 137 | 156 Ų | 156 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | 67.1 | 139.7 | 166.7 | 93.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 404 | S | 43.8 | Very low | 42 | Very low | 87 Ų | 87 | 151.5 Ų | 151.5 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | cis | -175.3 | 128.4 | 43 | -169.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 405 | K | 39.1 | Very low | 41.4 | Very low | 193 Ų | 193 | 147.2 Ų | 147.2 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | 62.3 | 133.5 | 145.5 | -63.9 | 171.7 | -173.7 | 173.5 | 0 | 122.4 | ||||
| 406 | R | 35.4 | Very low | 40.8 | Very low | 221 Ų | 221 | 147.5 Ų | 147.5 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | 80.7 | 130 | 140.4 | -167.8 | 174.1 | 171.4 | -142 | 2.9 | 115.2 | ||||
| 407 | R | 43.1 | Very low | 40.2 | Very low | 224 Ų | 224 | 149.7 Ų | 149.7 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | cis | -154.1 | 172.9 | 28.7 | -154.3 | 169 | 172.1 | 175.9 | -5.3 | 112.9 | ||||
| 408 | K | 35.9 | Very low | 40 | Very low | 183 Ų | 183 | 144.5 Ų | 144.5 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | trans | -121.1 | 141.4 | -164.5 | 165.2 | -172.2 | -177.9 | 176.9 | 0 | 113.3 | ||||
| 409 | R | 42.8 | Very low | 39.9 | Very low | 246 Ų | 246 | 142.5 Ų | 142.5 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | trans | 177.5 | 143.3 | 152.1 | -103.7 | 167.7 | 173.5 | 175.4 | -4.2 | 108.3 | ||||
| 410 | K | 36.5 | Very low | 39.3 | Very low | 197 Ų | 197 | 143.9 Ų | 143.9 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | cis | 140.2 | 122.4 | -17.3 | 178 | -177.2 | 177 | -171.7 | 0 | 107.6 | ||||
| 411 | G | 41.1 | Very low | 39.3 | Very low | 64 Ų | 64 | 141.9 Ų | 141.9 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | trans | 124.5 | 139.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 412 | S | 44 | Very low | 38.8 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | cis | 154.8 | 146.2 | -23.7 | 45 | 0 | 0 | 0 | 0 | 107 | ||||
| 413 | S | 42.2 | Very low | 38.8 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | 62.1 | 144.8 | 177 | 61.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 414 | G | 38.9 | Very low | 38.5 | Very low | 80 Ų | 80 | 136.3 Ų | 136.3 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | cis | 165.7 | 175.9 | -3.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 415 | G | 36.1 | Very low | 38.4 | Very low | 88 Ų | 88 | 141.5 Ų | 141.5 | 91% | 0.907 | 84% | 0.836 | S | S | * | * | trans | 110.1 | 102.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 416 | A | 34.6 | Very low | 38.3 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 80% | 0.802 | 84% | 0.838 | S | S | * | * | trans | -95.2 | 152.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 417 | N | 37.8 | Very low | 38.6 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 94% | 0.936 | 84% | 0.839 | S | S | * | * | trans | -155.2 | 151.2 | 139.4 | -123.5 | -12.1 | 0 | 0 | 0 | 112.1 | ||||
| 418 | A | 37.2 | Very low | 38.4 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | trans | -115 | 163.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 419 | S | 41.2 | Very low | 38.6 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | 139.1 | 155.3 | 164.1 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 420 | S | 38.7 | Very low | 38.5 | Very low | 114 Ų | 114 | 120.2 Ų | 120.2 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | cis | -171.6 | 148 | -30.6 | 53.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 421 | G | 35.6 | Very low | 38.7 | Very low | 87 Ų | 87 | 116.7 Ų | 116.7 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | trans | 86.6 | 151.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 422 | G | 32.1 | Very low | 38.7 | Very low | 86 Ų | 86 | 118.1 Ų | 118.1 | 89% | 0.887 | 84% | 0.835 | S | S | * | * | cis | 138.8 | 102.9 | -1.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 423 | G | 37.2 | Very low | 38.6 | Very low | 84 Ų | 84 | 119.2 Ų | 119.2 | 87% | 0.866 | 84% | 0.84 | S | S | * | * | trans | -176.2 | 124.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 424 | K | 35.6 | Very low | 38.4 | Very low | 202 Ų | 202 | 118.1 Ų | 118.1 | 88% | 0.878 | 84% | 0.838 | S | S | * | * | trans | -94.7 | 148.9 | 178.3 | -71.7 | 171.4 | 172.3 | 171.1 | 0 | 112.1 | ||||
| 425 | K | 40.5 | Very low | 38.4 | Very low | 196 Ų | 196 | 120 Ų | 120 | 85% | 0.852 | 84% | 0.839 | S | S | * | * | trans | 156.6 | 117.5 | 131.4 | -85.1 | 159.9 | -175.5 | -178.6 | 0 | 108.5 | ||||
| 426 | K | 38.1 | Very low | 38.7 | Very low | 206 Ų | 206 | 119.6 Ų | 119.6 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | 86.5 | 139.1 | 71.8 | -104.7 | -160.5 | 176.9 | -168.6 | 0 | 113.7 | |||||
| 427 | A | 40.7 | Very low | 38.9 | Very low | 103 Ų | 103 | 123 Ų | 123 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | trans | 79.9 | 151.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 428 | A | 40.7 | Very low | 39.1 | Very low | 94 Ų | 94 | 123.8 Ų | 123.8 | 78% | 0.777 | 83% | 0.827 | S | S | * | * | cis | -169.6 | 146.4 | -33.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 429 | A | 40 | Very low | 39.3 | Very low | 95 Ų | 95 | 125 Ų | 125 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | trans | 38.2 | 120.6 | 153.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 430 | S | 40.6 | Very low | 39 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | -168 | 127.5 | 121.7 | -79 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 431 | P | 39.4 | Very low | 39 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | trans | -109.5 | 179.6 | 177.4 | 40.3 | -33.1 | 0 | 0 | 0 | 113.8 | ||||
| 432 | A | 42.5 | Very low | 39.1 | Very low | 95 Ų | 95 | 128.5 Ų | 128.5 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | 83.5 | 158.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 433 | P | 41 | Very low | 39.7 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | cis | -120.9 | 165.2 | 2.8 | 39.6 | -25.9 | 0 | 0 | 0 | 115.8 | ||||
| 434 | A | 38.1 | Very low | 39.6 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | trans | -99.5 | 146.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 435 | S | 38.7 | Very low | 40.1 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -152.1 | 145.5 | 165.9 | 59.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 436 | A | 43.1 | Very low | 40.3 | Very low | 78 Ų | 78 | 129.2 Ų | 129.2 | 65% | 0.645 | 81% | 0.808 | S | S | * | * | cis | -142.7 | 131.9 | -9.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 437 | N | 39 | Very low | 41 | Very low | 168 Ų | 168 | 127.6 Ų | 127.6 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 120.9 | 165.4 | -105.4 | 42.7 | 0 | 0 | 0 | 108.3 | P439 | N437-P439 WeakPolarHBondContact O-CD 3.33Š|
| 438 | F | 42.1 | Very low | 41.6 | Very low | 193 Ų | 193 | 128.9 Ų | 128.9 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 122.6 | 170.9 | -83.3 | -86.7 | 0 | 0 | 0 | 110.5 | ||
| 439 | P | 41 | Very low | 42.3 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 130.4 | 170.1 | 32.3 | -30.9 | 0 | 0 | 0 | 110.2 | N437 T441 | N437-P439 WeakPolarHBondContact O-CD 3.33Å; P439-T441 PolarHBondContact O-N 3.25Å |
| 440 | V | 35.2 | Very low | 42.8 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | trans | -72.3 | 115.4 | 167.8 | 175.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 441 | T | 38.7 | Very low | 43.3 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | trans | -106.6 | 141.6 | 167.9 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | P439 H443 | P439-T441 PolarHBondContact O-N 3.25Å; T441-H443 PolarHBondContact O-N 3.18Å | ||
| 442 | T | 35.8 | Very low | 44.2 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | trans | -74.8 | 115.7 | -169.4 | 47.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 443 | H | 45.8 | Very low | 44.7 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | -135.2 | 132.4 | 151.6 | -89.7 | -86.3 | 0 | 0 | 0 | 109.8 | T441 | T441-H443 PolarHBondContact O-N 3.18Š| ||
| 444 | V | 34.4 | Very low | 44.7 | Very low | 138 Ų | 138 | 138 Ų | 138 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -102.7 | 98.4 | -179.6 | -90.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 445 | D | 46.2 | Very low | 45.5 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | trans | -110.6 | 102.8 | 169.2 | -78.7 | -44.7 | 0 | 0 | 0 | 109.9 | M447 | D445-M447 PolarHBondContact O-N 2.93Š| ||
| 446 | V | 45.3 | Very low | 45.9 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -89.2 | 93.7 | 172 | -179.7 | 0 | 0 | 0 | 0 | 107.9 | V448 | V446-V448 HydrophobicContact CG1-CG2 4.05Å; V446-V448 PolarHBondContact O-N 2.94Å | ||
| 447 | M | 52.9 | Low | 46 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | -80.9 | 98.4 | 167.6 | -86.8 | -160.6 | -90 | 0 | 0 | 110.5 | D445 V449 | D445-M447 PolarHBondContact O-N 2.93Å; M447-V449 HydrophobicContact CB-CG2 4.49Å; M447-V449 PolarHBondContact O-N 3.09Å | ||
| 448 | V | 53.8 | Low | 46 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -73 | 106.7 | 164.2 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | V446 | V446-V448 HydrophobicContact CG1-CG2 4.05Å; V446-V448 PolarHBondContact O-N 2.94Å | ||
| 449 | V | 54.7 | Low | 46.2 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | trans | -101.7 | 110.6 | 173.5 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | M447 | M447-V449 HydrophobicContact CB-CG2 4.49Å; M447-V449 PolarHBondContact O-N 3.09Å | ||
| 450 | S | 51.5 | Low | 46.7 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 152.3 | 175.2 | 45.6 | 0 | 0 | 0 | 0 | 112.7 | P452 | S450-P452 WeakPolarHBondContact O-CD 3.42Š|
| 451 | E | 49.3 | Very low | 47.3 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 131.2 | 177.7 | -60.6 | -177.9 | 162.7 | 0 | 0 | 113 | ||
| 452 | P | 58.5 | Low | 48.3 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 117.4 | 160.3 | -8.7 | 27.7 | 0 | 0 | 0 | 110.2 | S450 | S450-P452 WeakPolarHBondContact O-CD 3.42Š|
| 453 | S | 52.6 | Low | 49.3 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 155.5 | 175.5 | -64.4 | 0 | 0 | 0 | 0 | 114 | M455 | S453-M455 PolarHBondContact O-N 2.92Š|
| 454 | M | 42.3 | Very low | 49.9 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 96% | 0.956 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 126.1 | 170.3 | -62.7 | 178.5 | -71.6 | 0 | 0 | 112.6 | ||
| 455 | M | 55.1 | Low | 51.3 | Low | 184 Ų | 184 | 148.3 Ų | 148.3 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | -122.1 | 115.6 | 155.7 | -167.6 | 84.2 | 78.5 | 0 | 0 | 107 | S453 | S453-M455 PolarHBondContact O-N 2.92Š| ||
| 456 | G | 46.3 | Very low | 51.6 | Low | 77 Ų | 77 | 149.2 Ų | 149.2 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | trans | -70.2 | 153.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 457 | G | 44.6 | Very low | 52.3 | Low | 78 Ų | 78 | 150.9 Ų | 150.9 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -166.7 | 83.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 458 | E | 40.7 | Very low | 52.6 | Low | 181 Ų | 181 | 148 Ų | 148 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -68 | 130.5 | 170.8 | 62.1 | -147.5 | 142.4 | 0 | 0 | 110.8 | ||||
| 459 | F | 45.8 | Very low | 52.6 | Low | 220 Ų | 220 | 153.4 Ų | 153.4 | 97% | 0.965 | 83% | 0.829 | S | S | * | * | trans | 159.5 | 134.1 | 163 | -110.9 | -90.6 | 0 | 0 | 0 | 107.2 | ||||
| 460 | G | 50.9 | Low | 52.9 | Low | 60 Ų | 60 | 154.9 Ų | 154.9 | 62% | 0.619 | 83% | 0.832 | S | S | * | * | cis | -171.9 | 153.9 | -7.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | E462 | G460-E462 PolarHBondContact O-N 3.13Å; G460-E462 VanDerWaalsContact O-N 3.14Å | ||
| 461 | D | 49 | Very low | 53.4 | Low | 177 Ų | 177 | 158.1 Ų | 158.1 | 95% | 0.947 | 84% | 0.836 | S | S | * | * | trans | -77.5 | 86.3 | -173 | -62.5 | -62.5 | 0 | 0 | 0 | 113.5 | ||||
| 462 | E | 58.4 | Low | 53.7 | Low | 190 Ų | 190 | 156.2 Ų | 156.2 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | trans | -138.5 | -0.7 | 176.3 | -77.8 | -149.4 | 138.5 | 0 | 0 | 118.2 | G460 E464 | G460-E462 PolarHBondContact O-N 3.13Å; G460-E462 VanDerWaalsContact O-N 3.14Å; E462-E464 VanDerWaalsContact C-N 3.34Å; E462-E464 PolarHBondContact O-N 3.18Å | ||
| 463 | D | 57.8 | Low | 53.6 | Low | 135 Ų | 135 | 156.4 Ų | 156.4 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | trans | -91.9 | 30.3 | -173.3 | -135.5 | 4.2 | 0 | 0 | 0 | 115.1 | R465 | D463-R465 PolarHBondContact O-N 3.2Å; D463-R465 IonicContact OD1-NE 3.18Å; D463-R465 PolarHBondContact OD1-NE 3.42Å | ||
| 464 | E | 58.1 | Low | 53.4 | Low | 182 Ų | 182 | 160 Ų | 160 | 85% | 0.85 | 84% | 0.836 | S | S | * | * | trans | -74.8 | 71.9 | 168.2 | -74.5 | -153.9 | 154.4 | 0 | 0 | 111.7 | E462 L466 | E462-E464 VanDerWaalsContact C-N 3.34Å; E462-E464 PolarHBondContact O-N 3.18Å; E464-L466 PolarHBondContact O-N 3.35Å | ||
| 465 | R | 62.9 | Low | 53.7 | Low | 210 Ų | 210 | 159.9 Ų | 159.9 | 79% | 0.792 | 83% | 0.83 | S | S | * | * | trans | -71.9 | 94 | 173.5 | -69.3 | -177.7 | -178.6 | -115.2 | -4.3 | 111.4 | D463 I467 | D463-R465 PolarHBondContact O-N 3.2Å; D463-R465 IonicContact OD1-NE 3.18Å; D463-R465 PolarHBondContact OD1-NE 3.42Å; R465-I467 PolarHBondContact O-N 3.41Å; R465-I467 VanDerWaalsContact O-N 3.09Å | ||
| 466 | L | 53.8 | Low | 53.4 | Low | 164 Ų | 164 | 156.3 Ų | 156.3 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | trans | -43.2 | 108.2 | 171.7 | -66 | 164 | 0 | 0 | 0 | 112.4 | E464 S468 | E464-L466 PolarHBondContact O-N 3.35Å; L466-S468 PolarHBondContact O-N 3.35Å | ||
| 467 | I | 59.8 | Low | 53.4 | Low | 162 Ų | 162 | 158 Ų | 158 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -81.3 | 96.8 | 170 | -57.5 | 176.2 | 0 | 0 | 0 | 108.1 | R465 R469 | R465-I467 PolarHBondContact O-N 3.41Å; R465-I467 VanDerWaalsContact O-N 3.09Å; I467-R469 PolarHBondContact O-N 3.45Å | ||
| 468 | S | 59.2 | Low | 53.5 | Low | 110 Ų | 110 | 158.4 Ų | 158.4 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -58 | 121.9 | 167.6 | -75.2 | 0 | 0 | 0 | 0 | 110.1 | L466 L470 | L466-S468 PolarHBondContact O-N 3.35Å; S468-L470 PolarHBondContact O-N 3.22Å | ||
| 469 | R | 53.5 | Low | 53.6 | Low | 246 Ų | 246 | 155.6 Ų | 155.6 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | trans | -61.4 | 106.4 | 169.5 | -81 | 179.2 | 154.6 | 96.6 | -4.2 | 109.1 | I467 | I467-R469 PolarHBondContact O-N 3.45Š| ||
| 470 | L | 60.6 | Low | 53.2 | Low | 157 Ų | 157 | 151.1 Ų | 151.1 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -85.4 | 106.2 | 163.6 | -163 | 73.4 | 0 | 0 | 0 | 107.6 | S468 | S468-L470 PolarHBondContact O-N 3.22Š| ||
| 471 | E | 61.9 | Low | 52.8 | Low | 166 Ų | 166 | 152.5 Ų | 152.5 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -74.9 | 130.5 | 169.1 | 65.4 | -178.5 | -145.9 | 0 | 0 | 109.6 | T473 | E471-T473 PolarHBondContact O-N 2.93Š| ||
| 472 | N | 55.1 | Low | 52.5 | Low | 149 Ų | 149 | 150.8 Ų | 150.8 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -77.8 | 114.8 | 168.3 | -79.5 | -8.3 | 0 | 0 | 0 | 108 | ||||
| 473 | T | 57.8 | Low | 51.6 | Low | 127 Ų | 127 | 147.6 Ų | 147.6 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -58.1 | 137.7 | 168.5 | 39.6 | 0 | 0 | 0 | 0 | 110.2 | E471 | E471-T473 PolarHBondContact O-N 2.93Š| ||
| 474 | Q | 47.8 | Very low | 50.8 | Low | 192 Ų | 192 | 146.5 Ų | 146.5 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -64.6 | 140.5 | -177.9 | -75.4 | -179.8 | -21.7 | 0 | 0 | 111.5 | D476 | Q474-D476 PolarHBondContact O-N 3.36Š| ||
| 475 | F | 47.7 | Very low | 50.1 | Low | 191 Ų | 191 | 143.2 Ų | 143.2 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -76.2 | 106.6 | 173.5 | -178.9 | -92.7 | 0 | 0 | 0 | 110 | P477 | F475-P477 HydrophobicContact CE1-CB 4.18Š| ||
| 476 | D | 49.4 | Very low | 49.2 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 58% | 0.578 | 80% | 0.796 | S | S | * | * | trans | -93.5 | 120.5 | 171.1 | -172.1 | -37.6 | 0 | 0 | 0 | 109.8 | Q474 S478 | Q474-D476 PolarHBondContact O-N 3.36Å; D476-S478 VanDerWaalsContact C-N 3.28Å; D476-S478 PolarHBondContact O-N 2.67Å; D476-S478 WeakPolarHBondContact OD1-CB 3.19Å; D476-S478 PolarHBondContact OD1-N 3.46Å; D476-S478 PolarHBondContact OD1-OG 3.35Å | ||
| 477 | P | 47.4 | Very low | 48.7 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 11.4 | -174 | 34.7 | -37 | 0 | 0 | 0 | 114.9 | F475 | F475-P477 HydrophobicContact CE1-CB 4.18Š|
| 478 | S | 47 | Very low | 48 | Very low | 86 Ų | 86 | 137.3 Ų | 137.3 | 60% | 0.601 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -8.7 | -166.9 | 62.6 | 0 | 0 | 0 | 0 | 117.4 | D476 | D476-S478 VanDerWaalsContact C-N 3.28Å; D476-S478 PolarHBondContact O-N 2.67Å; D476-S478 WeakPolarHBondContact OD1-CB 3.19Å; D476-S478 PolarHBondContact OD1-N 3.46Å; D476-S478 PolarHBondContact OD1-OG 3.35Å |
| 479 | T | 41.7 | Very low | 47.4 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -137.7 | 72.2 | -166.7 | 34.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 480 | S | 38.6 | Very low | 47.2 | Very low | 126 Ų | 126 | 133 Ų | 133 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | trans | -156.7 | 74.1 | 158 | 53.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 481 | A | 40.8 | Very low | 46.6 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -111.3 | 141.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 482 | T | 44.2 | Very low | 45.5 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | 78.3 | 120.6 | 179 | 70.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 483 | P | 38.2 | Very low | 44.8 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | -109.1 | 133.7 | 175 | 37 | -28 | 0 | 0 | 0 | 113 | ||||
| 484 | S | 42.4 | Very low | 44.1 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -166.9 | 141.8 | 159.4 | 49.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 485 | S | 43 | Very low | 43.9 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | 59.1 | 109.4 | 160.4 | 58.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 486 | M | 43.3 | Very low | 43.8 | Very low | 182 Ų | 182 | 120.2 Ų | 120.2 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -79.9 | 163.5 | 143.9 | -65.3 | -170.1 | 169.2 | 0 | 0 | 110.2 | ||||
| 487 | P | 42.6 | Very low | 43.4 | Very low | 133 Ų | 133 | 120.3 Ų | 120.3 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | -142.9 | -175.6 | 96.8 | 34.6 | -16.3 | 0 | 0 | 0 | 115.6 | |||||
| 488 | A | 46.7 | Very low | 43.1 | Very low | 97 Ų | 97 | 119.9 Ų | 119.9 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -84 | 168.8 | -158.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 489 | P | 45.6 | Very low | 43 | Very low | 118 Ų | 118 | 120 Ų | 120 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -104 | 156.6 | -174.3 | 39.2 | -33 | 0 | 0 | 0 | 114.9 | ||||
| 490 | V | 49.8 | Very low | 42.9 | Very low | 148 Ų | 148 | 121.7 Ų | 121.7 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | -159.6 | 158.6 | 152.8 | -97.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 491 | P | 47.1 | Very low | 43 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -128 | -177.8 | -149.3 | 44.3 | -31.2 | 0 | 0 | 0 | 117.1 | ||||
| 492 | M | 40.1 | Very low | 43.2 | Very low | 192 Ų | 192 | 127.7 Ų | 127.7 | 95% | 0.946 | 79% | 0.793 | S | S | * | * | trans | 71 | 125.1 | 154.5 | -74 | -91 | -86.1 | 0 | 0 | 119.4 | ||||
| 493 | G | 40.4 | Very low | 43.4 | Very low | 68 Ų | 68 | 126.6 Ų | 126.6 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -179.5 | 70.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 494 | S | 42.4 | Very low | 43.5 | Very low | 107 Ų | 107 | 124 Ų | 124 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | 46.3 | 121.3 | 143.3 | 61.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 495 | S | 42.5 | Very low | 43.7 | Very low | 108 Ų | 108 | 123 Ų | 123 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | 79.4 | 151.3 | 120 | 80.8 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 496 | V | 45.7 | Very low | 43.8 | Very low | 127 Ų | 127 | 125.6 Ų | 125.6 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | cis | -168.8 | 157.7 | -5.1 | 119.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 497 | S | 42.6 | Very low | 43.9 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 70.3 | 151.5 | 160.6 | -80.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 498 | S | 41.3 | Very low | 44.1 | Very low | 105 Ų | 105 | 119.5 Ų | 119.5 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | cis | -169.2 | 156.5 | -2.6 | 38.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 499 | A | 43.8 | Very low | 44.2 | Very low | 89 Ų | 89 | 124.7 Ų | 124.7 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | 71.1 | 151.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 500 | Q | 40 | Very low | 44.3 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | cis | -156.3 | 151.6 | 8.5 | -156.2 | 161.1 | -65.4 | 0 | 0 | 113.7 | ||||
| 501 | E | 41.1 | Very low | 44 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | 55.6 | 96.1 | 153 | -77.6 | 166.5 | 148.1 | 0 | 0 | 124.8 | ||||
| 502 | H | 43.3 | Very low | 43.8 | Very low | 182 Ų | 182 | 130.5 Ų | 130.5 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | 45.1 | 162 | 101.7 | -103.7 | -50.9 | 0 | 0 | 0 | 123.5 | |||||
| 503 | P | 48.5 | Very low | 44 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | -123.5 | 173.9 | -104.6 | 44.9 | -32.2 | 0 | 0 | 0 | 115.8 | |||||
| 504 | G | 41.8 | Very low | 44.3 | Very low | 71 Ų | 71 | 130.5 Ų | 130.5 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | -171.1 | 101.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 505 | A | 46.7 | Very low | 44.4 | Very low | 90 Ų | 90 | 132 Ų | 132 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | 66 | 130.9 | 134.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 506 | L | 43.8 | Very low | 44.5 | Very low | 168 Ų | 168 | 133.6 Ų | 133.6 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | trans | 68.2 | 115.6 | 146.9 | -59 | 160.3 | 0 | 0 | 0 | 117.8 | ||||
| 507 | A | 46.9 | Very low | 44.4 | Very low | 90 Ų | 90 | 134.1 Ų | 134.1 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | cis | 100.9 | 124.6 | 42.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 508 | A | 45.8 | Very low | 44.6 | Very low | 96 Ų | 96 | 136 Ų | 136 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | trans | 65.7 | 100.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 509 | K | 48.8 | Very low | 44.8 | Very low | 207 Ų | 207 | 138.6 Ų | 138.6 | 90% | 0.9 | 82% | 0.823 | S | S | * | * | 176.6 | 93.6 | 114.5 | -97.7 | 176.8 | 177.3 | -179.8 | 0 | 112.5 | |||||
| 510 | N | 47.4 | Very low | 44.9 | Very low | 237 Ų | 237 | 143.1 Ų | 143.1 | 100% | 1.267 | 83% | 0.831 | S | S | * | * | -174.2 | 0 | 105.6 | -124 | 23.7 | 0 | 0 | 0 | 110 |
Retrieved 510 of 510 residues in 497.4 ms
(Link to these results)