| 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 | 39.4 | Very low | 33.1 | Very low | 247 Ų | 247 | 182.6 Ų | 182.6 | 100% | 1.217 | 87% | 0.874 | S | S | * | * | 0 | 93.6 | 0 | -82.2 | 172.4 | 171.6 | 0 | 0 | 106.7 | |||||
| 2 | E | 32.7 | Very low | 32.8 | Very low | 174 Ų | 174 | 172.9 Ų | 172.9 | 81% | 0.813 | 86% | 0.858 | S | S | * | * | trans | -67.6 | 146.1 | 173.9 | -67.4 | 147.1 | 103.9 | 0 | 0 | 110.7 | ||||
| 3 | D | 30.7 | Very low | 32.8 | Very low | 142 Ų | 142 | 168.3 Ų | 168.3 | 76% | 0.759 | 85% | 0.851 | S | S | * | * | 179.9 | 102.6 | 117.7 | -117.4 | -26.8 | 0 | 0 | 0 | 109.4 | |||||
| 4 | R | 32.5 | Very low | 32.7 | Very low | 212 Ų | 212 | 167.9 Ų | 167.9 | 80% | 0.8 | 85% | 0.851 | S | S | * | * | 66.2 | 89.9 | 99 | -68.4 | -172.1 | 174 | -156.2 | -2.3 | 115.3 | K6 | R4-K6 PolarHBondContact O-N 3.43Š| |||
| 5 | T | 36.9 | Very low | 32.3 | Very low | 141 Ų | 141 | 164.6 Ų | 164.6 | 87% | 0.865 | 85% | 0.849 | S | S | * | * | trans | -64.8 | 113.3 | 151.9 | 45.6 | 0 | 0 | 0 | 0 | 109.4 | E7 | T5-E7 PolarHBondContact O-N 3.07Š| ||
| 6 | K | 32.8 | Very low | 32.3 | Very low | 194 Ų | 194 | 162.3 Ų | 162.3 | 84% | 0.843 | 85% | 0.845 | S | S | * | * | trans | -77.7 | 111.1 | 171 | -76.4 | -179.8 | 177.7 | 178.3 | 0 | 109.4 | R4 L8 | R4-K6 PolarHBondContact O-N 3.43Å; K6-L8 PolarHBondContact O-N 3.07Å | ||
| 7 | E | 30.4 | Very low | 32.1 | Very low | 184 Ų | 184 | 157 Ų | 157 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | -62.9 | 124.6 | 161.2 | -66.3 | -175 | 115.2 | 0 | 0 | 108.6 | T5 E9 | T5-E7 PolarHBondContact O-N 3.07Å; E7-E9 PolarHBondContact O-N 3.13Å | ||
| 8 | L | 32.4 | Very low | 31.9 | Very low | 169 Ų | 169 | 158.5 Ų | 158.5 | 89% | 0.885 | 84% | 0.84 | S | S | * | * | trans | -77.7 | 108.2 | 172.8 | -124.9 | 77.9 | 0 | 0 | 0 | 107.8 | K6 | K6-L8 PolarHBondContact O-N 3.07Š| ||
| 9 | E | 28.1 | Very low | 31.6 | Very low | 185 Ų | 185 | 158.8 Ų | 158.8 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | trans | -56.6 | 133.3 | 177.4 | -66 | 174.7 | 128.5 | 0 | 0 | 111.2 | E7 | E7-E9 PolarHBondContact O-N 3.13Š| ||
| 10 | R | 35.8 | Very low | 31.4 | Very low | 234 Ų | 234 | 155.7 Ų | 155.7 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | trans | -66.4 | 133.9 | 172.2 | -61.3 | 177.1 | -174.8 | -166.3 | 0.8 | 108.5 | G12 | R10-G12 PolarHBondContact O-N 3.14Š| ||
| 11 | P | 32.7 | Very low | 31.3 | Very low | 127 Ų | 127 | 157.4 Ų | 157.4 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -66.3 | 110.1 | 172.6 | 26.2 | -30.8 | 0 | 0 | 0 | 108.7 | ||||
| 12 | G | 29.2 | Very low | 30.8 | Very low | 66 Ų | 66 | 154.2 Ų | 154.2 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | trans | -61.8 | 143.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R10 L14 | R10-G12 PolarHBondContact O-N 3.14Å; G12-L14 PolarHBondContact O-N 2.92Å | ||
| 13 | C | 33.4 | Very low | 30.6 | Very low | 113 Ų | 113 | 150.9 Ų | 150.9 | 76% | 0.764 | 82% | 0.821 | S | S | * | * | trans | -53 | 119.1 | 164.1 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | S15 | C13-S15 PolarHBondContact O-N 3.4Š| ||
| 14 | L | 30.4 | Very low | 30.5 | Very low | 163 Ų | 163 | 149.3 Ų | 149.3 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -61.4 | 110.4 | 170.8 | -76.4 | 160.5 | 0 | 0 | 0 | 107.9 | G12 V16 | G12-L14 PolarHBondContact O-N 2.92Å; L14-V16 PolarHBondContact O-N 3.47Å | ||
| 15 | S | 27.5 | Very low | 30.5 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -67 | 100 | 174.4 | 42 | 0 | 0 | 0 | 0 | 110 | C13 G17 | C13-S15 PolarHBondContact O-N 3.4Å; S15-G17 PolarHBondContact O-N 2.97Å | ||
| 16 | V | 31.6 | Very low | 30.3 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -81.5 | 108.6 | 160.2 | -178.7 | 0 | 0 | 0 | 0 | 106.8 | L14 | L14-V16 PolarHBondContact O-N 3.47Š| ||
| 17 | G | 29.1 | Very low | 30.1 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | -60.5 | 132.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | S15 | S15-G17 PolarHBondContact O-N 2.97Š| ||
| 18 | Q | 29.2 | Very low | 30.1 | Very low | 184 Ų | 184 | 138.2 Ų | 138.2 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -118.8 | 99.9 | 168.8 | -70.7 | -178.8 | -38 | 0 | 0 | 107.6 | ||||
| 19 | N | 25 | Very low | 29.9 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -87.7 | 127.1 | 152.8 | -86.1 | -6.3 | 0 | 0 | 0 | 107 | ||||
| 20 | S | 28.9 | Very low | 30.2 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | trans | 151.3 | 92.6 | 149 | 56.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 21 | E | 29.3 | Very low | 30 | Very low | 191 Ų | 191 | 136.1 Ų | 136.1 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | 97.1 | 98.5 | 92.2 | -82.7 | 170.1 | 139.7 | 0 | 0 | 111.1 | |||||
| 22 | E | 27.9 | Very low | 29.9 | Very low | 180 Ų | 180 | 138 Ų | 138 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | trans | -72.7 | 123.4 | 169 | -174.4 | 178.8 | 156.6 | 0 | 0 | 108.8 | ||||
| 23 | A | 28.6 | Very low | 30.1 | Very low | 104 Ų | 104 | 140 Ų | 140 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -116.1 | 98.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 24 | T | 30 | Very low | 30.3 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 67% | 0.669 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 150.9 | 162.2 | 41.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 25 | P | 31.3 | Very low | 30.4 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 140.4 | -167 | 33.9 | -32 | 0 | 0 | 0 | 112.2 | ||
| 26 | T | 32.9 | Very low | 30.8 | Very low | 142 Ų | 142 | 143.2 Ų | 143.2 | 87% | 0.871 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -95 | 130.3 | 171.2 | 54 | 0 | 0 | 0 | 0 | 111.4 | ||
| 27 | D | 29.5 | Very low | 30.8 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 150 | 172.6 | -170.1 | 13.4 | 0 | 0 | 0 | 113 | ||
| 28 | G | 28.6 | Very low | 31 | Very low | 70 Ų | 70 | 144.2 Ų | 144.2 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | trans | -166.6 | 97.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 29 | S | 29.2 | Very low | 31.5 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -57.2 | 143.9 | -174 | -36.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 30 | R | 34.4 | Very low | 32 | Very low | 252 Ų | 252 | 142 Ų | 142 | 95% | 0.951 | 82% | 0.818 | S | S | * | * | trans | -145.5 | 130.1 | 148.5 | -79.4 | -165.1 | 167.3 | 179.3 | -4.9 | 111.8 | ||||
| 31 | Q | 31.5 | Very low | 32.4 | Very low | 181 Ų | 181 | 144.8 Ų | 144.8 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -65.9 | 147.1 | 176.7 | -69.9 | 137.8 | -15.8 | 0 | 0 | 112.3 | ||||
| 32 | N | 31.3 | Very low | 33 | Very low | 166 Ų | 166 | 145 Ų | 145 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | trans | -162.6 | 130.2 | 130.5 | -103.8 | -0.9 | 0 | 0 | 0 | 111.3 | ||||
| 33 | S | 32.8 | Very low | 33.4 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | -77.4 | 139.6 | 174.9 | -7.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 34 | V | 38.3 | Very low | 33.6 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -153.8 | 132 | 139.9 | -162.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 35 | D | 32.7 | Very low | 34 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -62.9 | 147.6 | 178.4 | -49.9 | -78.1 | 0 | 0 | 0 | 113.7 | ||||
| 36 | N | 34.3 | Very low | 34.8 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -159.6 | 142.1 | 131.3 | -154.3 | 23.1 | 0 | 0 | 0 | 113 | ||||
| 37 | D | 31.9 | Very low | 35 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -81.1 | 162.3 | -172.1 | -174.3 | 28 | 0 | 0 | 0 | 113.3 | ||||
| 38 | G | 33.8 | Very low | 35.6 | Very low | 68 Ų | 68 | 140.7 Ų | 140.7 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | 134.2 | 92.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 39 | S | 38.9 | Very low | 36.4 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | -60.1 | 150.4 | 166.6 | 48.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 40 | E | 35.8 | Very low | 37 | Very low | 195 Ų | 195 | 144.7 Ų | 144.7 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | -174.7 | 128.9 | 128.8 | -100.5 | 167.2 | -172.4 | 0 | 0 | 111.5 | |||||
| 41 | D | 36.8 | Very low | 37.9 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -71.8 | 142.4 | -179.8 | -61.3 | -63.9 | 0 | 0 | 0 | 112.3 | ||||
| 42 | H | 42.8 | Very low | 39.1 | Very low | 196 Ų | 196 | 137.4 Ų | 137.4 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -153.8 | 126.7 | 145.8 | -111.2 | -68.7 | 0 | 0 | 0 | 113.2 | ||||
| 43 | D | 35.6 | Very low | 40.4 | Very low | 160 Ų | 160 | 137 Ų | 137 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -41.1 | 150.1 | 171.7 | -178.5 | 35.2 | 0 | 0 | 0 | 116.5 | ||||
| 44 | G | 33.7 | Very low | 42 | Very low | 54 Ų | 54 | 139.4 Ų | 139.4 | 56% | 0.557 | 79% | 0.79 | S | S | * | * | trans | 132.5 | 101.7 | 150.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 45 | T | 38.2 | Very low | 43.2 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | 84.3 | 106.8 | 135.9 | -47.4 | 0 | 0 | 0 | 0 | 118.4 | N47 | T45-N47 PolarHBondContact O-N 2.71Š| ||
| 46 | S | 48.5 | Very low | 45 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -40.7 | 118 | 152.7 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 47 | N | 35.5 | Very low | 46.7 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | -130.6 | 92.5 | 147.1 | -77.9 | -40.8 | 0 | 0 | 0 | 106.2 | T45 V49 | T45-N47 PolarHBondContact O-N 2.71Å; N47-V49 HydrophobicContact CB-CG2 4.31Å; N47-V49 PolarHBondContact O-N 2.95Å | ||
| 48 | N | 42.4 | Very low | 49.2 | Very low | 150 Ų | 150 | 131.7 Ų | 131.7 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | trans | -56.6 | 94.5 | 148.2 | -73.9 | -42.6 | 0 | 0 | 0 | 105.1 | D50 | N48-D50 VanDerWaalsContact C-N 3.3Å; N48-D50 PolarHBondContact O-N 2.98Å | ||
| 49 | V | 45.9 | Very low | 51.6 | Low | 129 Ų | 129 | 130.9 Ų | 130.9 | 78% | 0.782 | 73% | 0.725 | S | S | * | * | trans | -76.5 | 101.3 | 161.6 | -179.6 | 0 | 0 | 0 | 0 | 103.2 | N47 S51 | N47-V49 HydrophobicContact CB-CG2 4.31Å; N47-V49 PolarHBondContact O-N 2.95Å; V49-S51 PolarHBondContact O-N 3.2Å | ||
| 50 | D | 41.3 | Very low | 53.9 | Low | 135 Ų | 135 | 130.8 Ų | 130.8 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | trans | -38.4 | 108.5 | 168.5 | -71.5 | -48.4 | 0 | 0 | 0 | 108.1 | N48 E52 | N48-D50 VanDerWaalsContact C-N 3.3Å; N48-D50 PolarHBondContact O-N 2.98Å; D50-E52 PolarHBondContact O-N 3.29Å | ||
| 51 | S | 54.4 | Low | 56.5 | Low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | trans | -61.6 | 90.8 | 157.5 | 39.6 | 0 | 0 | 0 | 0 | 104.6 | V49 D53 | V49-S51 PolarHBondContact O-N 3.2Å; S51-D53 PolarHBondContact O-N 3.21Å | ||
| 52 | E | 55.3 | Low | 59 | Low | 174 Ų | 174 | 123.4 Ų | 123.4 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | trans | -49.9 | 107.5 | 168.7 | -64.4 | -175.7 | 139.2 | 0 | 0 | 105.5 | D50 E54 | D50-E52 PolarHBondContact O-N 3.29Å; E52-E54 PolarHBondContact O-N 3.01Å | ||
| 53 | D | 59.3 | Low | 61.4 | Low | 157 Ų | 157 | 117.9 Ų | 117.9 | 84% | 0.84 | 65% | 0.647 | S | S | * | * | trans | -58.3 | 86.7 | 167.3 | -84.9 | -47.1 | 0 | 0 | 0 | 106 | S51 P55 | S51-D53 PolarHBondContact O-N 3.21Å; D53-P55 WeakPolarHBondContact O-CD 3.32Å; D53-P55 VanDerWaalsContact O-N 3.08Å | ||
| 54 | E | 66.4 | Low | 64.1 | Low | 161 Ų | 161 | 115.1 Ų | 115.1 | 75% | 0.752 | 64% | 0.638 | S | S | * | * | trans | -53.5 | 116.9 | 167.3 | -103.9 | -81.3 | 129.1 | 0 | 0 | 105.3 | E52 E56 | E52-E54 PolarHBondContact O-N 3.01Å; E54-E56 PolarHBondContact O-N 3.05Å | ||
| 55 | P | 64 | Low | 67 | Low | 98 Ų | 98 | 120.7 Ų | 120.7 | 64% | 0.636 | 64% | 0.643 | S | S | * | * | trans | -62.6 | 108.2 | -174.2 | 22.8 | -31.4 | 0 | 0 | 0 | 108.5 | D53 L57 | D53-P55 WeakPolarHBondContact O-CD 3.32Å; D53-P55 VanDerWaalsContact O-N 3.08Å; P55-L57 PolarHBondContact O-N 3.09Å | ||
| 56 | E | 69.1 | Low | 69.7 | Low | 190 Ų | 190 | 115.1 Ų | 115.1 | 89% | 0.888 | 61% | 0.609 | S | S | * | * | trans | -60.6 | 103.5 | 174.4 | -73.1 | -170.2 | 169.9 | 0 | 0 | 108.6 | E54 P58 | E54-E56 PolarHBondContact O-N 3.05Å; E56-P58 VanDerWaalsContact O-CD 3.28Å; E56-P58 WeakPolarHBondContact O-CD 3.35Å | ||
| 57 | L | 71.6 | Confident | 72 | Confident | 106 Ų | 106 | 115.3 Ų | 115.3 | 56% | 0.555 | 59% | 0.593 | S | S | * | * | trans | -66.6 | 121.9 | 177 | -74.3 | 170.9 | 0 | 0 | 0 | 108.5 | P55 L59 M132 | P55-L57 PolarHBondContact O-N 3.09Å; L57-L59 VanDerWaalsContact C-N 3.34Å; L57-L59 PolarHBondContact O-N 3.4Å; L57-M132 HydrophobicContact CD1-CE 4.38Å | ||
| 58 | P | 83.2 | Confident | 75 | Confident | 59 Ų | 59 | 108.9 Ų | 108.9 | 38% | 0.383 | 56% | 0.559 | S | S | . | * | trans | -68 | 91.5 | 178.2 | 26.7 | -34.4 | 0 | 0 | 0 | 110.3 | E56 N60 Q61 | E56-P58 VanDerWaalsContact O-CD 3.28Å; E56-P58 WeakPolarHBondContact O-CD 3.35Å; P58-N60 PolarHBondContact O-N 3.41Å; P58-N60 VanDerWaalsContact O-N 3.11Å; P58-N60 PolarHBondContact O-OD1 3.31Å; P58-Q61 HydrophobicContact CB-CG 4.15Å; P58-Q61 HydrophobicContact CG-CG 4.12Å; P58-Q61 WeakPolarHBondContact O-CG 3.18Å; P58-Q61 PolarHBondContact O-N 3.18Å; P58-Q61 VanDerWaalsContact O-N 3.17Å | ||
| 59 | L | 84.1 | Confident | 77.5 | Confident | 51 Ų | 51 | 104.5 Ų | 104.5 | 27% | 0.267 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -58 | -28.4 | -173.6 | -69.3 | 177.7 | 0 | 0 | 0 | 113.5 | L57 Q61 F62 Y63 M132 L133 | L57-L59 VanDerWaalsContact C-N 3.34Å; L57-L59 PolarHBondContact O-N 3.4Å; L59-Q61 PolarHBondContact O-N 3.07Å; L59-F62 PolarHBondContact O-N 2.98Å; L59-Y63 HydrophobicContact CB-CE1 3.98Å; L59-Y63 WeakPolarHBondContact O-CD1 3.39Å; L59-Y63 WeakPolarHBondContact O-CE1 3.43Å; L59-Y63 PolarHBondContact O-N 3.46Å; L59-M132 HydrophobicContact CD2-CE 4.34Å; L59-M132 WeakPolarHBondContact CD2-O 3.39Å; L59-L133 HydrophobicContact CD1-CD2 4.02Å; L59-L133 HydrophobicContact CD2-CD2 4.32Å |
| 60 | N | 87.8 | Confident | 80 | Confident | 104 Ų | 104 | 101.5 Ų | 101.5 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -57.1 | -30.5 | 179.2 | 61.5 | -7.5 | 0 | 0 | 0 | 113.5 | P58 F62 Y63 | P58-N60 PolarHBondContact O-N 3.41Å; P58-N60 VanDerWaalsContact O-N 3.11Å; P58-N60 PolarHBondContact O-OD1 3.31Å; N60-F62 PolarHBondContact O-N 3.2Å; N60-Y63 HydrophobicContact CB-CD2 4.33Å; N60-Y63 HydrophobicContact CB-CE2 4.18Å; N60-Y63 PolarHBondContact O-N 3.36Å |
| 61 | Q | 90.3 | Very high | 82.7 | Confident | 123 Ų | 123 | 98 Ų | 98 | 58% | 0.575 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -68.1 | -25.8 | 178 | -51.5 | -173.7 | 13.6 | 0 | 0 | 111.9 | P58 L59 | P58-Q61 HydrophobicContact CB-CG 4.15Å; P58-Q61 HydrophobicContact CG-CG 4.12Å; P58-Q61 WeakPolarHBondContact O-CG 3.18Å; P58-Q61 PolarHBondContact O-N 3.18Å; P58-Q61 VanDerWaalsContact O-N 3.17Å; L59-Q61 PolarHBondContact O-N 3.07Å |
| 62 | F | 90.7 | Very high | 84.7 | Confident | 72 Ų | 72 | 96.1 Ų | 96.1 | 32% | 0.316 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -16 | -177 | -59.2 | -79.3 | 0 | 0 | 0 | 113.2 | L59 N60 P64 Y65 I66 M132 | L59-F62 PolarHBondContact O-N 2.98Å; N60-F62 PolarHBondContact O-N 3.2Å; F62-P64 VanDerWaalsContact C-N 3.31Å; F62-P64 VanDerWaalsContact O-N 3.14Å; F62-Y65 PolarHBondContact O-N 2.91Å; F62-I66 HydrophobicContact CB-CD1 4.1Å; F62-I66 WeakPolarHBondContact O-CG1 3.49Å; F62-I66 PolarHBondContact O-N 2.95Å; F62-M132 HydrophobicContact CD1-CE 4.37Å; F62-M132 HydrophobicContact CD2-CE 3.91Å; F62-M132 HydrophobicContact CE1-CE 4.42Å; F62-M132 HydrophobicContact CE2-CE 3.96Å; F62-M132 HydrophobicContact CG-CE 4.11Å; F62-M132 HydrophobicContact CZ-CE 4.21Å |
| 63 | Y | 92.3 | Very high | 86.6 | Confident | 80 Ų | 80 | 89.2 Ų | 89.2 | 31% | 0.314 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -49 | -39.6 | -177.9 | -72.4 | -2.3 | 0 | 0 | 0 | 115.3 | L59 N60 Y65 I66 R67 F74 | L59-Y63 HydrophobicContact CB-CE1 3.98Å; L59-Y63 WeakPolarHBondContact O-CD1 3.39Å; L59-Y63 WeakPolarHBondContact O-CE1 3.43Å; L59-Y63 PolarHBondContact O-N 3.46Å; N60-Y63 HydrophobicContact CB-CD2 4.33Å; N60-Y63 HydrophobicContact CB-CE2 4.18Å; N60-Y63 PolarHBondContact O-N 3.36Å; Y63-Y65 PolarHBondContact O-N 3.13Å; Y63-I66 HydrophobicContact CD1-CD1 4.23Å; Y63-I66 HydrophobicContact CD1-CG1 4.47Å; Y63-I66 PolarHBondContact O-N 3.34Å; Y63-R67 VanDerWaalsContact O-CB 3.3Å; Y63-R67 WeakPolarHBondContact O-CB 3.31Å; Y63-R67 WeakPolarHBondContact O-CG 3.49Å; Y63-R67 PolarHBondContact O-N 3.32Å; Y63-R67 VanDerWaalsContact O-N 3.16Å; Y63-F74 AromaticContact CD1-CE1 3.91Å; Y63-F74 HydrophobicContact CD1-CE1 3.91Å; Y63-F74 HydrophobicContact CD1-CZ 4.44Å; Y63-F74 AromaticContact CE1-CE1 3.79Å; Y63-F74 HydrophobicContact CE1-CE1 3.79Å; Y63-F74 AromaticContact CE1-CZ 3.88Å; Y63-F74 HydrophobicContact CE1-CZ 3.88Å |
| 64 | P | 92.7 | Very high | 88.5 | Confident | 103 Ų | 103 | 84.9 Ų | 84.9 | 67% | 0.669 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.8 | -22 | 176.4 | -24.3 | 36 | 0 | 0 | 0 | 114.6 | F62 | F62-P64 VanDerWaalsContact C-N 3.31Å; F62-P64 VanDerWaalsContact O-N 3.14Å |
| 65 | Y | 93.6 | Very high | 90 | Very high | 171 Ų | 171 | 77.3 Ų | 77.3 | 67% | 0.671 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -102.1 | -21.3 | -175.3 | -49.4 | -75.4 | 0 | 0 | 0 | 113.2 | F62 Y63 | F62-Y65 PolarHBondContact O-N 2.91Å; Y63-Y65 PolarHBondContact O-N 3.13Å |
| 66 | I | 95.4 | Very high | 91.6 | Very high | 6 Ų | 6 | 74 Ų | 74 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -115 | -1.3 | -173.4 | 68.4 | -179.3 | 0 | 0 | 0 | 114.1 | F62 Y63 F74 L75 V129 L133 | F62-I66 HydrophobicContact CB-CD1 4.1Å; F62-I66 WeakPolarHBondContact O-CG1 3.49Å; F62-I66 PolarHBondContact O-N 2.95Å; Y63-I66 HydrophobicContact CD1-CD1 4.23Å; Y63-I66 HydrophobicContact CD1-CG1 4.47Å; Y63-I66 PolarHBondContact O-N 3.34Å; I66-F74 HydrophobicContact CD1-CD1 4.14Å; I66-F74 HydrophobicContact CD1-CE1 3.97Å; I66-F74 HydrophobicContact CG1-CD1 3.99Å; I66-F74 HydrophobicContact CG1-CE1 4.12Å; I66-F74 WeakPolarHBondContact O-CA 3.44Å; I66-L75 WeakPolarHBondContact O-CG 3.18Å; I66-L75 PolarHBondContact O-N 2.99Å; I66-V129 HydrophobicContact CB-CG2 3.98Å; I66-V129 HydrophobicContact CG2-CG2 3.97Å; I66-L133 HydrophobicContact CD1-CD1 4.07Å; I66-L133 HydrophobicContact CD1-CD2 4.19Å; I66-L133 HydrophobicContact CD1-CG 4.28Å |
| 67 | R | 96.5 | Very high | 92.9 | Very high | 112 Ų | 112 | 69.2 Ų | 69.2 | 42% | 0.423 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -104 | 141.2 | 177.5 | -67.9 | 177.2 | 71.2 | 180 | 2.2 | 111.9 | Y63 C72 G73 F74 | Y63-R67 VanDerWaalsContact O-CB 3.3Å; Y63-R67 WeakPolarHBondContact O-CB 3.31Å; Y63-R67 WeakPolarHBondContact O-CG 3.49Å; Y63-R67 PolarHBondContact O-N 3.32Å; Y63-R67 VanDerWaalsContact O-N 3.16Å; R67-C72 VanDerWaalsContact CZ-O 3.23Å; R67-C72 PolarHBondContact NE-O 2.7Å; R67-C72 PolarHBondContact NH2-O 3.11Å; R67-G73 CarbonylContact C-O 3.6Å; R67-G73 VanDerWaalsContact CA-O 3.24Å; R67-G73 WeakPolarHBondContact CA-O 3.16Å; R67-G73 WeakPolarHBondContact CB-O 3.17Å; R67-F74 HydrophobicContact CG-CD1 3.82Å; R67-F74 HydrophobicContact CG-CE1 4.02Å |
| 68 | C | 98.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.007 | 34% | 0.34 | C | S | . | . | trans | -79.2 | 126.1 | 173.8 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | L70 C72 G73 L75 C89 | C68-L70 PolarHBondContact O-N 3.31Å; C68-L70 PolarHBondContact SG-N 2.95Å; C68-C72 WeakPolarHBondContact O-CA 3.29Å; C68-C72 PolarHBondContact O-N 2.84Å; C68-G73 PolarHBondContact N-O 3.21Å; C68-L75 HydrophobicContact CB-CD2 3.95Å; C68-C89 VanDerWaalsContact CB-SG 3.52Å; C68-C89 PolarHBondContact SG-N 3.4Å; C68-C89 VanDerWaalsContact SG-N 3.41Å | ||
| 69 | A | 96.5 | Very high | 94.9 | Very high | 58 Ų | 58 | 61.7 Ų | 61.7 | 48% | 0.479 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -15 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F88 N105 | A69-F88 HydrophobicContact CB-CE1 4.17Å; A69-N105 WeakPolarHBondContact CB-OD1 3.33Å |
| 70 | L | 97.5 | Very high | 95.6 | Very high | 65 Ų | 65 | 60 Ų | 60 | 34% | 0.34 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -40.4 | -179.7 | -73.7 | 171.6 | 0 | 0 | 0 | 113.4 | C68 F88 C92 I93 H96 P104 | C68-L70 PolarHBondContact O-N 3.31Å; C68-L70 PolarHBondContact SG-N 2.95Å; L70-F88 HydrophobicContact CD1-CB 4.39Å; L70-F88 HydrophobicContact CD1-CD1 3.78Å; L70-F88 HydrophobicContact CD1-CE1 4.38Å; L70-F88 HydrophobicContact CD1-CG 4.2Å; L70-F88 HydrophobicContact CG-CD1 3.79Å; L70-F88 HydrophobicContact CG-CE1 4.14Å; L70-C92 HydrophobicContact CB-CB 3.87Å; L70-C92 HydrophobicContact CD1-CB 3.7Å; L70-C92 HydrophobicContact CG-CB 4.46Å; L70-I93 HydrophobicContact CD1-CD1 4.43Å; L70-H96 HydrophobicContact CD1-CB 4.19Å; L70-P104 HydrophobicContact CD1-CG 4.05Å; L70-P104 HydrophobicContact CD2-CB 3.84Å; L70-P104 HydrophobicContact CD2-CG 3.85Å; L70-P104 HydrophobicContact CG-CB 4.31Å; L70-P104 HydrophobicContact CG-CG 4.13Å |
| 71 | C | 97.6 | Very high | 96.1 | Very high | 63 Ų | 63 | 55 Ų | 55 | 43% | 0.426 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -5.2 | -179.7 | 67.8 | 0 | 0 | 0 | 0 | 113.6 | G73 | C71-G73 PolarHBondContact O-N 3.08Å; C71-G73 PolarHBondContact SG-N 3.47Å; C71-G73 VanDerWaalsContact SG-N 3.44Å |
| 72 | C | 96.1 | Very high | 96.4 | Very high | 65 Ų | 65 | 51.7 Ų | 51.7 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 58.8 | 5.3 | -174 | -56.7 | 0 | 0 | 0 | 0 | 114.8 | R67 C68 | R67-C72 VanDerWaalsContact CZ-O 3.23Å; R67-C72 PolarHBondContact NE-O 2.7Å; R67-C72 PolarHBondContact NH2-O 3.11Å; C68-C72 WeakPolarHBondContact O-CA 3.29Å; C68-C72 PolarHBondContact O-N 2.84Å |
| 73 | G | 96.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 53.7 Ų | 53.7 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -87.2 | 179.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | R67 C68 C71 | R67-G73 CarbonylContact C-O 3.6Å; R67-G73 VanDerWaalsContact CA-O 3.24Å; R67-G73 WeakPolarHBondContact CA-O 3.16Å; R67-G73 WeakPolarHBondContact CB-O 3.17Å; C68-G73 PolarHBondContact N-O 3.21Å; C71-G73 PolarHBondContact O-N 3.08Å; C71-G73 PolarHBondContact SG-N 3.47Å; C71-G73 VanDerWaalsContact SG-N 3.44Å |
| 74 | F | 97.6 | Very high | 96.9 | Very high | 65 Ų | 65 | 51.3 Ų | 51.3 | 29% | 0.285 | 28% | 0.281 | S | S | . | . | B | Isolated β-bridge | trans | -67.5 | 153 | 168.9 | -62.2 | -61.8 | 0 | 0 | 0 | 111.3 | Y63 I66 R67 I76 L133 L136 | Y63-F74 AromaticContact CD1-CE1 3.91Å; Y63-F74 HydrophobicContact CD1-CE1 3.91Å; Y63-F74 HydrophobicContact CD1-CZ 4.44Å; Y63-F74 AromaticContact CE1-CE1 3.79Å; Y63-F74 HydrophobicContact CE1-CE1 3.79Å; Y63-F74 AromaticContact CE1-CZ 3.88Å; Y63-F74 HydrophobicContact CE1-CZ 3.88Å; I66-F74 HydrophobicContact CD1-CD1 4.14Å; I66-F74 HydrophobicContact CD1-CE1 3.97Å; I66-F74 HydrophobicContact CG1-CD1 3.99Å; I66-F74 HydrophobicContact CG1-CE1 4.12Å; I66-F74 WeakPolarHBondContact O-CA 3.44Å; R67-F74 HydrophobicContact CG-CD1 3.82Å; R67-F74 HydrophobicContact CG-CE1 4.02Å; F74-I76 PolarHBondContact O-N 3.39Å; F74-L133 HydrophobicContact CB-CD1 3.92Å; F74-L133 HydrophobicContact CD1-CD1 3.34Å; F74-L133 HydrophobicContact CD2-CD1 3.73Å; F74-L133 HydrophobicContact CE1-CD1 3.66Å; F74-L133 HydrophobicContact CE1-CD2 4.02Å; F74-L133 HydrophobicContact CE2-CD1 4.01Å; F74-L133 HydrophobicContact CE2-CD2 4.34Å; F74-L133 HydrophobicContact CG-CD1 3.38Å; F74-L133 HydrophobicContact CZ-CD1 3.98Å; F74-L133 HydrophobicContact CZ-CD2 3.9Å; F74-L136 HydrophobicContact CB-CD2 3.9Å; F74-L136 HydrophobicContact CD2-CD1 4.39Å; F74-L136 HydrophobicContact CG-CD2 4.45Å |
| 75 | L | 98.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | trans | -63.9 | 122 | 178.7 | -68.7 | 165.8 | 0 | 0 | 0 | 110.8 | I66 C68 A78 T87 F88 L125 Q126 V129 | I66-L75 WeakPolarHBondContact O-CG 3.18Å; I66-L75 PolarHBondContact O-N 2.99Å; C68-L75 HydrophobicContact CB-CD2 3.95Å; L75-A78 HydrophobicContact CB-CB 4.19Å; L75-A78 HydrophobicContact CD1-CB 4.43Å; L75-T87 HydrophobicContact CD1-CG2 4.16Å; L75-T87 HydrophobicContact CD2-CG2 4.19Å; L75-F88 VanDerWaalsContact CD2-C 3.44Å; L75-L125 HydrophobicContact CD1-CD2 3.75Å; L75-L125 HydrophobicContact CD1-CG 4.15Å; L75-Q126 PolarHBondContact O-NE2 3.43Å; L75-Q126 PolarHBondContact O-OE1 3.48Å; L75-V129 HydrophobicContact CB-CG2 4.25Å; L75-V129 HydrophobicContact CD1-CG2 4.26Å | ||
| 76 | I | 98 | Very high | 97.3 | Very high | 30 Ų | 30 | 47.3 Ų | 47.3 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -118.7 | 127.8 | 170.4 | -58.9 | -60 | 0 | 0 | 0 | 107.7 | F74 C89 K90 Y130 L136 E140 | F74-I76 PolarHBondContact O-N 3.39Å; I76-C89 PolarHBondContact N-SG 3.18Å; I76-C89 VanDerWaalsContact N-SG 3.37Å; I76-C89 WeakPolarHBondContact O-CA 3.47Å; I76-C89 VanDerWaalsContact O-CB 3.23Å; I76-C89 WeakPolarHBondContact O-CB 3.47Å; I76-K90 PolarHBondContact O-N 3.17Å; I76-Y130 HydrophobicContact CD1-CE1 4.02Å; I76-L136 HydrophobicContact CD1-CD1 4.21Å; I76-L136 HydrophobicContact CD1-CD2 4.33Å; I76-L136 HydrophobicContact CD1-CG 4.25Å; I76-E140 HydrophobicContact CD1-CB 4.26Å; I76-E140 HydrophobicContact CD1-CG 4.11Å; I76-E140 HydrophobicContact CG2-CG 3.82Å |
| 77 | D | 97.5 | Very high | 97.5 | Very high | 89 Ų | 89 | 48.3 Ų | 48.3 | 48% | 0.476 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 47.4 | 59.7 | -167.1 | -70.2 | -22.5 | 0 | 0 | 0 | 111.3 | T79 K90 | D77-T79 PolarHBondContact O-N 2.92Å; D77-T79 PolarHBondContact O-OG1 3.44Å; D77-K90 HydrophobicContact CB-CB 3.55Å; D77-K90 HydrophobicContact CB-CD 4.14Å; D77-K90 VanDerWaalsContact O-CB 3.31Å; D77-K90 WeakPolarHBondContact O-CB 3.4Å; D77-K90 PolarHBondContact O-N 3.21Å |
| 78 | A | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.017 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -46.6 | 124.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L75 T87 D122 L125 Q126 | L75-A78 HydrophobicContact CB-CB 4.19Å; L75-A78 HydrophobicContact CD1-CB 4.43Å; A78-T87 HydrophobicContact CB-CG2 3.93Å; A78-D122 HydrophobicContact CB-CB 4.27Å; A78-D122 PolarHBondContact O-N 3.4Å; A78-L125 HydrophobicContact CB-CB 4.46Å; A78-L125 HydrophobicContact CB-CD2 4.46Å; A78-L125 HydrophobicContact CB-CG 4.44Å; A78-Q126 HydrophobicContact CB-CB 4.06Å |
| 79 | T | 98.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 117.7 | -174.2 | -64 | 0 | 0 | 0 | 0 | 108.9 | D77 T87 F88 K90 I93 I119 R120 | D77-T79 PolarHBondContact O-N 2.92Å; D77-T79 PolarHBondContact O-OG1 3.44Å; T79-T87 WeakPolarHBondContact O-CA 3.38Å; T79-F88 PolarHBondContact N-O 3.44Å; T79-F88 PolarHBondContact O-N 2.81Å; T79-K90 WeakPolarHBondContact OG1-CA 3.42Å; T79-K90 WeakPolarHBondContact OG1-CB 3.28Å; T79-I93 HydrophobicContact CG2-CG2 3.77Å; T79-I119 HydrophobicContact CG2-CB 3.8Å; T79-I119 HydrophobicContact CG2-CD1 3.99Å; T79-I119 HydrophobicContact CG2-CG1 4.34Å; T79-I119 HydrophobicContact CG2-CG2 4.38Å; T79-R120 CarbonylContact C-O 3.51Å; T79-R120 WeakPolarHBondContact CA-O 3.24Å |
| 80 | T | 98.3 | Very high | 97.7 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 9% | 0.092 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 134.7 | -172 | -60.9 | 0 | 0 | 0 | 0 | 110.4 | L85 T87 I119 R120 D122 | T80-L85 HydrophobicContact CG2-CB 4.47Å; T80-L85 HydrophobicContact CG2-CD2 4.28Å; T80-T87 VanDerWaalsContact OG1-CG2 3.3Å; T80-T87 WeakPolarHBondContact OG1-CG2 3.36Å; T80-T87 PolarHBondContact OG1-OG1 3.25Å; T80-I119 CarbonylContact O-C 3.59Å; T80-I119 WeakPolarHBondContact O-CA 3.33Å; T80-R120 PolarHBondContact N-O 2.96Å; T80-R120 PolarHBondContact O-N 2.89Å; T80-D122 WeakPolarHBondContact OG1-CB 3.07Å; T80-D122 PolarHBondContact OG1-OD2 3.28Å |
| 81 | I | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 124.5 | 171.3 | -60.6 | 169.4 | 0 | 0 | 0 | 108.8 | E83 L85 H86 F88 I93 F97 C103 V110 N118 I119 | I81-E83 VanDerWaalsContact C-N 3.33Å; I81-E83 HydrophobicContact CG2-CB 4.33Å; I81-E83 PolarHBondContact O-N 3.02Å; I81-L85 VanDerWaalsContact O-CA 3.23Å; I81-L85 WeakPolarHBondContact O-CA 3.3Å; I81-L85 PolarHBondContact O-N 3.41Å; I81-H86 PolarHBondContact N-O 3.35Å; I81-F88 HydrophobicContact CD1-CD2 4.31Å; I81-F88 HydrophobicContact CD1-CE2 3.7Å; I81-F88 HydrophobicContact CG1-CE2 4.4Å; I81-I93 HydrophobicContact CD1-CD1 4.15Å; I81-F97 HydrophobicContact CD1-CZ 4.13Å; I81-F97 HydrophobicContact CG1-CZ 4.29Å; I81-C103 HydrophobicContact CD1-CB 3.95Å; I81-V110 HydrophobicContact CD1-CG2 4.09Å; I81-V110 HydrophobicContact CG2-CB 4.34Å; I81-V110 HydrophobicContact CG2-CG1 3.66Å; I81-V110 HydrophobicContact CG2-CG2 3.86Å; I81-N118 CarbonylContact C-O 3.51Å; I81-N118 WeakPolarHBondContact CA-O 3.45Å; I81-I119 HydrophobicContact CB-CG2 4.4Å; I81-I119 HydrophobicContact CG1-CG2 3.79Å |
| 82 | T | 96.8 | Very high | 97.7 | Very high | 53 Ų | 53 | 45 Ų | 45 | 33% | 0.325 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -33 | -175.3 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | N118 R120 | T82-N118 PolarHBondContact N-O 3.27Å; T82-N118 WeakPolarHBondContact OG1-CB 3.42Å; T82-N118 PolarHBondContact OG1-O 3.43Å; T82-R120 HydrophobicContact CG2-CG 3.69Å |
| 83 | E | 95.5 | Very high | 97.7 | Very high | 113 Ų | 113 | 41.9 Ų | 41.9 | 53% | 0.528 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -29.1 | -175.4 | -59.4 | -54.3 | 114.4 | 0 | 0 | 114.1 | I81 I108 V110 N118 | I81-E83 VanDerWaalsContact C-N 3.33Å; I81-E83 HydrophobicContact CG2-CB 4.33Å; I81-E83 PolarHBondContact O-N 3.02Å; E83-I108 HydrophobicContact CB-CD1 3.76Å; E83-V110 WeakPolarHBondContact CG-O 3.2Å; E83-N118 HydrophobicContact CG-CB 4.36Å |
| 84 | C | 97.3 | Very high | 97.8 | Very high | 31 Ų | 31 | 42.5 Ų | 42.5 | 21% | 0.209 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.5 | 0.8 | -176.3 | 61.5 | 0 | 0 | 0 | 0 | 115.3 | H86 C103 I108 | C84-H86 PolarHBondContact O-N 2.88Å; C84-H86 VanDerWaalsContact O-N 3.1Å; C84-H86 PolarHBondContact SG-ND1 3.43Å; C84-H86 VanDerWaalsContact SG-ND1 3.42Å; C84-C103 VanDerWaalsContact SG-SG 3.61Å; C84-I108 HydrophobicContact CB-CD1 3.54Å; C84-I108 HydrophobicContact CB-CG1 4.16Å |
| 85 | L | 97.3 | Very high | 97.6 | Very high | 131 Ų | 131 | 46.2 Ų | 46.2 | 69% | 0.686 | 25% | 0.245 | S | C | * | . | trans | 55.8 | 25.6 | 179 | -53.8 | -179.9 | 0 | 0 | 0 | 115.1 | T80 I81 | T80-L85 HydrophobicContact CG2-CB 4.47Å; T80-L85 HydrophobicContact CG2-CD2 4.28Å; I81-L85 VanDerWaalsContact O-CA 3.23Å; I81-L85 WeakPolarHBondContact O-CA 3.3Å; I81-L85 PolarHBondContact O-N 3.41Å | ||
| 86 | H | 98.3 | Very high | 97.5 | Very high | 58 Ų | 58 | 48.3 Ų | 48.3 | 27% | 0.269 | 25% | 0.254 | S | S | . | . | trans | -84.5 | 136.5 | 169.9 | -71.7 | 121.2 | 0 | 0 | 0 | 110 | I81 C84 F88 N105 C106 | I81-H86 PolarHBondContact N-O 3.35Å; C84-H86 PolarHBondContact O-N 2.88Å; C84-H86 VanDerWaalsContact O-N 3.1Å; C84-H86 PolarHBondContact SG-ND1 3.43Å; C84-H86 VanDerWaalsContact SG-ND1 3.42Å; H86-F88 HydrophobicContact CB-CE2 3.72Å; H86-F88 HydrophobicContact CB-CZ 4Å; H86-N105 HydrophobicContact CB-CB 4.47Å; H86-N105 PolarHBondContact CD2-ND2 3.36Å; H86-C106 VanDerWaalsContact CE1-SG 3.54Å; H86-C106 PolarHBondContact ND1-SG 3.06Å; H86-C106 VanDerWaalsContact ND1-SG 3.4Å | ||
| 87 | T | 98.4 | Very high | 97.3 | Very high | 28 Ų | 28 | 47.8 Ų | 47.8 | 17% | 0.172 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 140.8 | -173.4 | -46.6 | 0 | 0 | 0 | 0 | 112 | L75 A78 T79 T80 L125 | L75-T87 HydrophobicContact CD1-CG2 4.16Å; L75-T87 HydrophobicContact CD2-CG2 4.19Å; A78-T87 HydrophobicContact CB-CG2 3.93Å; T79-T87 WeakPolarHBondContact O-CA 3.38Å; T80-T87 VanDerWaalsContact OG1-CG2 3.3Å; T80-T87 WeakPolarHBondContact OG1-CG2 3.36Å; T80-T87 PolarHBondContact OG1-OG1 3.25Å; T87-L125 HydrophobicContact CG2-CD2 3.54Å |
| 88 | F | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 169 | -177.9 | -54.7 | -88.9 | 0 | 0 | 0 | 110 | A69 L70 L75 T79 I81 H86 I93 P104 N105 | A69-F88 HydrophobicContact CB-CE1 4.17Å; L70-F88 HydrophobicContact CD1-CB 4.39Å; L70-F88 HydrophobicContact CD1-CD1 3.78Å; L70-F88 HydrophobicContact CD1-CE1 4.38Å; L70-F88 HydrophobicContact CD1-CG 4.2Å; L70-F88 HydrophobicContact CG-CD1 3.79Å; L70-F88 HydrophobicContact CG-CE1 4.14Å; L75-F88 VanDerWaalsContact CD2-C 3.44Å; T79-F88 PolarHBondContact N-O 3.44Å; T79-F88 PolarHBondContact O-N 2.81Å; I81-F88 HydrophobicContact CD1-CD2 4.31Å; I81-F88 HydrophobicContact CD1-CE2 3.7Å; I81-F88 HydrophobicContact CG1-CE2 4.4Å; H86-F88 HydrophobicContact CB-CE2 3.72Å; H86-F88 HydrophobicContact CB-CZ 4Å; F88-I93 HydrophobicContact CB-CB 3.85Å; F88-I93 HydrophobicContact CB-CG2 4.36Å; F88-I93 HydrophobicContact CD2-CB 4.26Å; F88-I93 HydrophobicContact CD2-CD1 3.83Å; F88-I93 HydrophobicContact CD2-CG1 4.08Å; F88-I93 HydrophobicContact CE2-CD1 4.12Å; F88-I93 HydrophobicContact CG-CB 4.25Å; F88-I93 HydrophobicContact CG-CD1 4.28Å; F88-P104 HydrophobicContact CE1-CB 3.84Å; F88-P104 HydrophobicContact CE1-CG 3.84Å; F88-P104 HydrophobicContact CE2-CG 4.37Å; F88-P104 HydrophobicContact CZ-CB 3.92Å; F88-P104 HydrophobicContact CZ-CG 3.76Å; F88-N105 VanDerWaalsContact CE1-OD1 3.29Å; F88-N105 WeakPolarHBondContact CE1-OD1 3.23Å; F88-N105 HydrophobicContact CZ-CB 4.41Å; F88-N105 WeakPolarHBondContact CZ-OD1 3.2Å |
| 89 | C | 98.7 | Very high | 96.4 | Very high | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.034 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 142.1 | 167 | -52.1 | 0 | 0 | 0 | 0 | 110 | C68 I76 S91 C92 I93 | C68-C89 VanDerWaalsContact CB-SG 3.52Å; C68-C89 PolarHBondContact SG-N 3.4Å; C68-C89 VanDerWaalsContact SG-N 3.41Å; I76-C89 PolarHBondContact N-SG 3.18Å; I76-C89 VanDerWaalsContact N-SG 3.37Å; I76-C89 WeakPolarHBondContact O-CA 3.47Å; I76-C89 VanDerWaalsContact O-CB 3.23Å; I76-C89 WeakPolarHBondContact O-CB 3.47Å; C89-S91 VanDerWaalsContact C-N 3.34Å; C89-S91 PolarHBondContact O-N 3.36Å; C89-C92 HydrophobicContact CB-CB 4.07Å; C89-C92 WeakPolarHBondContact O-CB 3.14Å; C89-C92 PolarHBondContact O-N 3.11Å; C89-I93 PolarHBondContact O-N 2.79Å |
| 90 | K | 98 | Very high | 96 | Very high | 111 Ų | 111 | 61 Ų | 61 | 48% | 0.483 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -50.5 | -52.3 | 178.9 | 178.8 | -177.9 | 174.5 | -171.5 | 0 | 112.4 | I76 D77 T79 C92 V94 | I76-K90 PolarHBondContact O-N 3.17Å; D77-K90 HydrophobicContact CB-CB 3.55Å; D77-K90 HydrophobicContact CB-CD 4.14Å; D77-K90 VanDerWaalsContact O-CB 3.31Å; D77-K90 WeakPolarHBondContact O-CB 3.4Å; D77-K90 PolarHBondContact O-N 3.21Å; T79-K90 WeakPolarHBondContact OG1-CA 3.42Å; T79-K90 WeakPolarHBondContact OG1-CB 3.28Å; K90-C92 VanDerWaalsContact C-N 3.28Å; K90-C92 PolarHBondContact O-N 2.96Å; K90-V94 HydrophobicContact CG-CG2 4.38Å; K90-V94 VanDerWaalsContact O-CB 3.27Å; K90-V94 WeakPolarHBondContact O-CB 3.15Å; K90-V94 WeakPolarHBondContact O-CG2 3.24Å; K90-V94 PolarHBondContact O-N 2.86Å |
| 91 | S | 97.1 | Very high | 95.8 | Very high | 88 Ų | 88 | 62.7 Ų | 62.7 | 62% | 0.615 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.7 | -37 | -179.2 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | C89 K95 | C89-S91 VanDerWaalsContact C-N 3.34Å; C89-S91 PolarHBondContact O-N 3.36Å; S91-K95 WeakPolarHBondContact O-CB 3.38Å; S91-K95 PolarHBondContact O-N 2.72Å |
| 92 | C | 98.3 | Very high | 95.7 | Very high | 24 Ų | 24 | 68.7 Ų | 68.7 | 16% | 0.162 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.2 | -52.5 | 179.6 | -64 | 0 | 0 | 0 | 0 | 112.2 | L70 C89 K90 K95 H96 | L70-C92 HydrophobicContact CB-CB 3.87Å; L70-C92 HydrophobicContact CD1-CB 3.7Å; L70-C92 HydrophobicContact CG-CB 4.46Å; C89-C92 HydrophobicContact CB-CB 4.07Å; C89-C92 WeakPolarHBondContact O-CB 3.14Å; C89-C92 PolarHBondContact O-N 3.11Å; K90-C92 VanDerWaalsContact C-N 3.28Å; K90-C92 PolarHBondContact O-N 2.96Å; C92-K95 PolarHBondContact O-N 2.92Å; C92-H96 PolarHBondContact O-N 3.29Å |
| 93 | I | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.6 | -36.5 | -176.2 | -168.7 | 59.2 | 0 | 0 | 0 | 112.3 | L70 T79 I81 F88 C89 K95 H96 F97 P104 I119 | L70-I93 HydrophobicContact CD1-CD1 4.43Å; T79-I93 HydrophobicContact CG2-CG2 3.77Å; I81-I93 HydrophobicContact CD1-CD1 4.15Å; F88-I93 HydrophobicContact CB-CB 3.85Å; F88-I93 HydrophobicContact CB-CG2 4.36Å; F88-I93 HydrophobicContact CD2-CB 4.26Å; F88-I93 HydrophobicContact CD2-CD1 3.83Å; F88-I93 HydrophobicContact CD2-CG1 4.08Å; F88-I93 HydrophobicContact CE2-CD1 4.12Å; F88-I93 HydrophobicContact CG-CB 4.25Å; F88-I93 HydrophobicContact CG-CD1 4.28Å; C89-I93 PolarHBondContact O-N 2.79Å; I93-K95 VanDerWaalsContact C-N 3.31Å; I93-K95 PolarHBondContact O-N 2.9Å; I93-H96 HydrophobicContact CD1-CB 4.45Å; I93-H96 PolarHBondContact O-N 2.89Å; I93-F97 HydrophobicContact CD1-CD1 4.32Å; I93-F97 HydrophobicContact CD1-CE1 3.81Å; I93-F97 HydrophobicContact CD1-CE2 4.14Å; I93-F97 HydrophobicContact CD1-CZ 3.7Å; I93-F97 HydrophobicContact CG1-CD2 4.21Å; I93-F97 HydrophobicContact CG1-CE1 4.35Å; I93-F97 HydrophobicContact CG1-CE2 3.77Å; I93-F97 HydrophobicContact CG1-CZ 3.84Å; I93-F97 WeakPolarHBondContact O-CG 3.28Å; I93-F97 PolarHBondContact O-N 3.24Å; I93-P104 HydrophobicContact CD1-CG 3.93Å; I93-I119 HydrophobicContact CG1-CG2 4.49Å; I93-I119 HydrophobicContact CG2-CD1 4.45Å |
| 94 | V | 96.8 | Very high | 95.8 | Very high | 42 Ų | 42 | 62.8 Ų | 62.8 | 26% | 0.255 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 172.6 | 173 | 0 | 0 | 0 | 0 | 110 | K90 H96 F97 F98 L116 I119 | K90-V94 HydrophobicContact CG-CG2 4.38Å; K90-V94 VanDerWaalsContact O-CB 3.27Å; K90-V94 WeakPolarHBondContact O-CB 3.15Å; K90-V94 WeakPolarHBondContact O-CG2 3.24Å; K90-V94 PolarHBondContact O-N 2.86Å; V94-H96 PolarHBondContact O-N 3.19Å; V94-F97 PolarHBondContact O-N 3.19Å; V94-F98 HydrophobicContact CG1-CE2 4.01Å; V94-F98 WeakPolarHBondContact O-CD2 3.37Å; V94-F98 WeakPolarHBondContact O-CE2 3.15Å; V94-L116 HydrophobicContact CB-CD2 4.45Å; V94-L116 HydrophobicContact CG1-CD2 4.27Å; V94-L116 HydrophobicContact CG2-CD2 4.03Å; V94-I119 HydrophobicContact CG2-CD1 4.14Å |
| 95 | K | 94.9 | Very high | 95.7 | Very high | 143 Ų | 143 | 64.8 Ų | 64.8 | 62% | 0.622 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.1 | -43.6 | 175.6 | -173.7 | 177.7 | 178.6 | -177.3 | 0 | 112.4 | S91 C92 I93 F97 F98 | S91-K95 WeakPolarHBondContact O-CB 3.38Å; S91-K95 PolarHBondContact O-N 2.72Å; C92-K95 PolarHBondContact O-N 2.92Å; I93-K95 VanDerWaalsContact C-N 3.31Å; I93-K95 PolarHBondContact O-N 2.9Å; K95-F97 VanDerWaalsContact C-N 3.31Å; K95-F97 PolarHBondContact O-N 3.35Å; K95-F98 PolarHBondContact O-N 3.14Å |
| 96 | H | 94.6 | Very high | 95.7 | Very high | 46 Ų | 46 | 61 Ų | 61 | 21% | 0.213 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 178.7 | 176.7 | 77.7 | 0 | 0 | 0 | 112.2 | L70 C92 I93 V94 F98 Y99 S100 R102 | L70-H96 HydrophobicContact CD1-CB 4.19Å; C92-H96 PolarHBondContact O-N 3.29Å; I93-H96 HydrophobicContact CD1-CB 4.45Å; I93-H96 PolarHBondContact O-N 2.89Å; V94-H96 PolarHBondContact O-N 3.19Å; H96-F98 PolarHBondContact O-N 3.02Å; H96-Y99 PolarHBondContact O-N 3.45Å; H96-S100 PolarHBondContact O-N 3.35Å; H96-S100 VanDerWaalsContact O-N 3.14Å; H96-R102 PolarHBondContact NE2-O 3.47Å |
| 97 | F | 94.6 | Very high | 95.6 | Very high | 19 Ų | 19 | 61.4 Ų | 61.4 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -6.9 | -178.9 | -73.9 | -16.3 | 0 | 0 | 0 | 116.1 | I81 I93 V94 K95 S100 V110 P115 L116 I119 | I81-F97 HydrophobicContact CD1-CZ 4.13Å; I81-F97 HydrophobicContact CG1-CZ 4.29Å; I93-F97 HydrophobicContact CD1-CD1 4.32Å; I93-F97 HydrophobicContact CD1-CE1 3.81Å; I93-F97 HydrophobicContact CD1-CE2 4.14Å; I93-F97 HydrophobicContact CD1-CZ 3.7Å; I93-F97 HydrophobicContact CG1-CD2 4.21Å; I93-F97 HydrophobicContact CG1-CE1 4.35Å; I93-F97 HydrophobicContact CG1-CE2 3.77Å; I93-F97 HydrophobicContact CG1-CZ 3.84Å; I93-F97 WeakPolarHBondContact O-CG 3.28Å; I93-F97 PolarHBondContact O-N 3.24Å; V94-F97 PolarHBondContact O-N 3.19Å; K95-F97 VanDerWaalsContact C-N 3.31Å; K95-F97 PolarHBondContact O-N 3.35Å; F97-S100 WeakPolarHBondContact CA-O 3.29Å; F97-S100 VanDerWaalsContact CD1-O 3.23Å; F97-S100 WeakPolarHBondContact CD1-O 3.44Å; F97-V110 HydrophobicContact CE1-CB 4.42Å; F97-V110 HydrophobicContact CE1-CG2 4.06Å; F97-V110 HydrophobicContact CE2-CG1 4.35Å; F97-V110 HydrophobicContact CZ-CB 4.09Å; F97-V110 HydrophobicContact CZ-CG1 3.89Å; F97-V110 HydrophobicContact CZ-CG2 3.85Å; F97-P115 HydrophobicContact CB-CB 4.33Å; F97-P115 HydrophobicContact CB-CG 3.79Å; F97-P115 HydrophobicContact CD1-CB 3.87Å; F97-P115 HydrophobicContact CD1-CG 4.11Å; F97-P115 HydrophobicContact CD2-CB 3.69Å; F97-P115 HydrophobicContact CD2-CG 4.05Å; F97-P115 HydrophobicContact CE1-CB 4.02Å; F97-P115 HydrophobicContact CE2-CB 3.82Å; F97-P115 HydrophobicContact CG-CB 3.71Å; F97-P115 HydrophobicContact CG-CG 3.74Å; F97-P115 HydrophobicContact CZ-CB 4Å; F97-L116 HydrophobicContact CB-CD2 4.45Å; F97-L116 HydrophobicContact CD2-CD2 4.08Å; F97-I119 HydrophobicContact CE2-CD1 4.45Å; F97-I119 HydrophobicContact CE2-CG2 3.6Å; F97-I119 HydrophobicContact CZ-CG2 4.27Å |
| 98 | F | 87.9 | Confident | 95.3 | Very high | 140 Ų | 140 | 63.1 Ų | 63.1 | 61% | 0.614 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -21.2 | 165.9 | -71.4 | -77.2 | 0 | 0 | 0 | 113.1 | V94 K95 H96 | V94-F98 HydrophobicContact CG1-CE2 4.01Å; V94-F98 WeakPolarHBondContact O-CD2 3.37Å; V94-F98 WeakPolarHBondContact O-CE2 3.15Å; K95-F98 PolarHBondContact O-N 3.14Å; H96-F98 PolarHBondContact O-N 3.02Å |
| 99 | Y | 88.4 | Confident | 95.1 | Very high | 194 Ų | 194 | 65.6 Ų | 65.6 | 76% | 0.761 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.8 | -18.8 | -173.5 | -53.3 | -77.4 | 0 | 0 | 0 | 113.8 | H96 | H96-Y99 PolarHBondContact O-N 3.45Š|
| 100 | S | 91.6 | Very high | 94.8 | Very high | 40 Ų | 40 | 65.4 Ų | 65.4 | 28% | 0.28 | 33% | 0.332 | S | S | . | . | trans | -147.5 | 137 | -177.8 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | H96 F97 R102 | H96-S100 PolarHBondContact O-N 3.35Å; H96-S100 VanDerWaalsContact O-N 3.14Å; F97-S100 WeakPolarHBondContact CA-O 3.29Å; F97-S100 VanDerWaalsContact CD1-O 3.23Å; F97-S100 WeakPolarHBondContact CD1-O 3.44Å; S100-R102 VanDerWaalsContact C-N 3.28Å; S100-R102 PolarHBondContact OG-N 3.06Å | ||
| 101 | N | 92.1 | Very high | 94.6 | Very high | 51 Ų | 51 | 62.7 Ų | 62.7 | 27% | 0.273 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -91.2 | 12.9 | 172.4 | 67.1 | -3.3 | 0 | 0 | 0 | 113 | V110 H111 Q112 P115 | N101-V110 PolarHBondContact O-N 3.49Å; N101-H111 PolarHBondContact ND2-O 3.29Å; N101-Q112 PolarHBondContact ND2-O 2.96Å; N101-Q112 VanDerWaalsContact ND2-O 3.13Å; N101-P115 HydrophobicContact CB-CB 4.42Å; N101-P115 HydrophobicContact CB-CG 4.23Å |
| 102 | R | 95.8 | Very high | 93.8 | Very high | 125 Ų | 125 | 65.7 Ų | 65.7 | 47% | 0.472 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -107.4 | 146.1 | -177 | -69 | 179.8 | 169.4 | -126.6 | 8.4 | 112.5 | H96 S100 S107 I108 V109 | H96-R102 PolarHBondContact NE2-O 3.47Å; S100-R102 VanDerWaalsContact C-N 3.28Å; S100-R102 PolarHBondContact OG-N 3.06Å; R102-S107 WeakPolarHBondContact CD-O 3.48Å; R102-S107 PolarHBondContact NH1-O 3.28Å; R102-I108 CarbonylContact C-O 3.58Å; R102-I108 WeakPolarHBondContact CA-O 3.15Å; R102-V109 HydrophobicContact CG-CG2 4.06Å |
| 103 | C | 97.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.014 | 35% | 0.345 | C | S | . | . | trans | -61.4 | 131.8 | 175.4 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | I81 C84 N105 S107 I108 V110 | I81-C103 HydrophobicContact CD1-CB 3.95Å; C84-C103 VanDerWaalsContact SG-SG 3.61Å; C103-N105 VanDerWaalsContact C-N 3.25Å; C103-N105 PolarHBondContact O-N 3.04Å; C103-N105 PolarHBondContact SG-N 3.01Å; C103-N105 VanDerWaalsContact SG-N 3.43Å; C103-S107 WeakPolarHBondContact O-CA 3.44Å; C103-S107 PolarHBondContact O-N 3.03Å; C103-I108 HydrophobicContact CB-CG1 4.11Å; C103-I108 PolarHBondContact N-O 2.96Å; C103-V110 HydrophobicContact CB-CG2 4.09Å | ||
| 104 | P | 97.1 | Very high | 92.2 | Very high | 41 Ų | 41 | 71.3 Ų | 71.3 | 27% | 0.266 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -30.7 | 176.8 | -23.6 | 30.9 | 0 | 0 | 0 | 114.7 | L70 F88 I93 | L70-P104 HydrophobicContact CD1-CG 4.05Å; L70-P104 HydrophobicContact CD2-CB 3.84Å; L70-P104 HydrophobicContact CD2-CG 3.85Å; L70-P104 HydrophobicContact CG-CB 4.31Å; L70-P104 HydrophobicContact CG-CG 4.13Å; F88-P104 HydrophobicContact CE1-CB 3.84Å; F88-P104 HydrophobicContact CE1-CG 3.84Å; F88-P104 HydrophobicContact CE2-CG 4.37Å; F88-P104 HydrophobicContact CZ-CB 3.92Å; F88-P104 HydrophobicContact CZ-CG 3.76Å; I93-P104 HydrophobicContact CD1-CG 3.93Å |
| 105 | N | 96.6 | Very high | 91.7 | Very high | 72 Ų | 72 | 69.8 Ų | 69.8 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -48.4 | -174.7 | -76 | 23.3 | 0 | 0 | 0 | 112.9 | A69 H86 F88 C103 | A69-N105 WeakPolarHBondContact CB-OD1 3.33Å; H86-N105 HydrophobicContact CB-CB 4.47Å; H86-N105 PolarHBondContact CD2-ND2 3.36Å; F88-N105 VanDerWaalsContact CE1-OD1 3.29Å; F88-N105 WeakPolarHBondContact CE1-OD1 3.23Å; F88-N105 HydrophobicContact CZ-CB 4.41Å; F88-N105 WeakPolarHBondContact CZ-OD1 3.2Å; C103-N105 VanDerWaalsContact C-N 3.25Å; C103-N105 PolarHBondContact O-N 3.04Å; C103-N105 PolarHBondContact SG-N 3.01Å; C103-N105 VanDerWaalsContact SG-N 3.43Å |
| 106 | C | 97.3 | Very high | 91.6 | Very high | 51 Ų | 51 | 66.3 Ų | 66.3 | 35% | 0.345 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 1.2 | -172.7 | 60.8 | 0 | 0 | 0 | 0 | 114.3 | H86 I108 | H86-C106 VanDerWaalsContact CE1-SG 3.54Å; H86-C106 PolarHBondContact ND1-SG 3.06Å; H86-C106 VanDerWaalsContact ND1-SG 3.4Å; C106-I108 HydrophobicContact CB-CG2 4.49Å; C106-I108 PolarHBondContact O-N 3.32Å |
| 107 | S | 95.2 | Very high | 91.4 | Very high | 67 Ų | 67 | 69.3 Ų | 69.3 | 47% | 0.469 | 34% | 0.344 | S | S | . | . | trans | 59.2 | 11.1 | 175.5 | -60.9 | 0 | 0 | 0 | 0 | 116.3 | R102 C103 | R102-S107 WeakPolarHBondContact CD-O 3.48Å; R102-S107 PolarHBondContact NH1-O 3.28Å; C103-S107 WeakPolarHBondContact O-CA 3.44Å; C103-S107 PolarHBondContact O-N 3.03Å | ||
| 108 | I | 93.3 | Very high | 91.3 | Very high | 64 Ų | 64 | 70 Ų | 70 | 33% | 0.328 | 35% | 0.349 | S | S | . | . | trans | -65.1 | 149.6 | 171.7 | 72.2 | 158.1 | 0 | 0 | 0 | 110.1 | E83 C84 R102 C103 C106 V110 | E83-I108 HydrophobicContact CB-CD1 3.76Å; C84-I108 HydrophobicContact CB-CD1 3.54Å; C84-I108 HydrophobicContact CB-CG1 4.16Å; R102-I108 CarbonylContact C-O 3.58Å; R102-I108 WeakPolarHBondContact CA-O 3.15Å; C103-I108 HydrophobicContact CB-CG1 4.11Å; C103-I108 PolarHBondContact N-O 2.96Å; C106-I108 HydrophobicContact CB-CG2 4.49Å; C106-I108 PolarHBondContact O-N 3.32Å; I108-V110 PolarHBondContact O-N 3.39Å | ||
| 109 | V | 93.3 | Very high | 91.7 | Very high | 52 Ų | 52 | 64.3 Ų | 64.3 | 32% | 0.315 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -73.8 | 115.1 | 172.1 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | R102 H111 | R102-V109 HydrophobicContact CG-CG2 4.06Å; V109-H111 WeakPolarHBondContact CG1-O 3.29Å |
| 110 | V | 93.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -73.2 | -39.3 | -176.5 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | I81 E83 F97 N101 C103 I108 P115 N118 | I81-V110 HydrophobicContact CD1-CG2 4.09Å; I81-V110 HydrophobicContact CG2-CB 4.34Å; I81-V110 HydrophobicContact CG2-CG1 3.66Å; I81-V110 HydrophobicContact CG2-CG2 3.86Å; E83-V110 WeakPolarHBondContact CG-O 3.2Å; F97-V110 HydrophobicContact CE1-CB 4.42Å; F97-V110 HydrophobicContact CE1-CG2 4.06Å; F97-V110 HydrophobicContact CE2-CG1 4.35Å; F97-V110 HydrophobicContact CZ-CB 4.09Å; F97-V110 HydrophobicContact CZ-CG1 3.89Å; F97-V110 HydrophobicContact CZ-CG2 3.85Å; N101-V110 PolarHBondContact O-N 3.49Å; C103-V110 HydrophobicContact CB-CG2 4.09Å; I108-V110 PolarHBondContact O-N 3.39Å; V110-P115 HydrophobicContact CB-CB 4.25Å; V110-P115 HydrophobicContact CG1-CB 4.24Å; V110-N118 HydrophobicContact CG1-CB 3.81Å; V110-N118 PolarHBondContact O-ND2 2.92Å |
| 111 | H | 93 | Very high | 92.4 | Very high | 54 Ų | 54 | 64 Ų | 64 | 25% | 0.25 | 33% | 0.329 | C | S | . | . | trans | -158.6 | 149.3 | 171.1 | -172.1 | -71.5 | 0 | 0 | 0 | 108.3 | N101 V109 T113 Q114 | N101-H111 PolarHBondContact ND2-O 3.29Å; V109-H111 WeakPolarHBondContact CG1-O 3.29Å; H111-T113 PolarHBondContact CE1-OG1 3.17Å; H111-T113 PolarHBondContact ND1-N 3.43Å; H111-Q114 WeakPolarHBondContact CB-O 3.37Å; H111-Q114 VanDerWaalsContact CG-O 3.29Å; H111-Q114 PolarHBondContact ND1-N 2.83Å | ||
| 112 | Q | 79.7 | Confident | 92.7 | Very high | 150 Ų | 150 | 63.7 Ų | 63.7 | 70% | 0.701 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -59.7 | -50.9 | -177.3 | -63.1 | -64.1 | -11.7 | 0 | 0 | 112.7 | N101 | N101-Q112 PolarHBondContact ND2-O 2.96Å; N101-Q112 VanDerWaalsContact ND2-O 3.13Å |
| 113 | T | 78.8 | Confident | 92.8 | Very high | 97 Ų | 97 | 67.1 Ų | 67.1 | 60% | 0.595 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -116.6 | -30.3 | -176.6 | 52.3 | 0 | 0 | 0 | 0 | 115.3 | H111 | H111-T113 PolarHBondContact CE1-OG1 3.17Å; H111-T113 PolarHBondContact ND1-N 3.43Å |
| 114 | Q | 84.6 | Confident | 92.7 | Very high | 45 Ų | 45 | 74.4 Ų | 74.4 | 21% | 0.21 | 37% | 0.374 | C | S | . | . | trans | -134.9 | 78 | -169.1 | -66.5 | -169.4 | 44.9 | 0 | 0 | 111.6 | H111 L116 Y117 | H111-Q114 WeakPolarHBondContact CB-O 3.37Å; H111-Q114 VanDerWaalsContact CG-O 3.29Å; H111-Q114 PolarHBondContact ND1-N 2.83Å; Q114-L116 PolarHBondContact O-N 3.48Å; Q114-L116 VanDerWaalsContact O-N 3.15Å; Q114-Y117 HydrophobicContact CB-CD2 3.53Å; Q114-Y117 HydrophobicContact CB-CE2 4.02Å; Q114-Y117 HydrophobicContact CG-CD2 4.37Å; Q114-Y117 HydrophobicContact CG-CE2 4.39Å; Q114-Y117 PolarHBondContact O-N 3.37Å; Q114-Y117 VanDerWaalsContact O-N 3.11Å | ||
| 115 | P | 85.4 | Confident | 92.8 | Very high | 11 Ų | 11 | 74 Ų | 74 | 7% | 0.071 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -61.3 | -22.6 | -176.6 | 26.3 | -36.9 | 0 | 0 | 0 | 114.1 | F97 N101 V110 Y117 N118 | F97-P115 HydrophobicContact CB-CB 4.33Å; F97-P115 HydrophobicContact CB-CG 3.79Å; F97-P115 HydrophobicContact CD1-CB 3.87Å; F97-P115 HydrophobicContact CD1-CG 4.11Å; F97-P115 HydrophobicContact CD2-CB 3.69Å; F97-P115 HydrophobicContact CD2-CG 4.05Å; F97-P115 HydrophobicContact CE1-CB 4.02Å; F97-P115 HydrophobicContact CE2-CB 3.82Å; F97-P115 HydrophobicContact CG-CB 3.71Å; F97-P115 HydrophobicContact CG-CG 3.74Å; F97-P115 HydrophobicContact CZ-CB 4Å; N101-P115 HydrophobicContact CB-CB 4.42Å; N101-P115 HydrophobicContact CB-CG 4.23Å; V110-P115 HydrophobicContact CB-CB 4.25Å; V110-P115 HydrophobicContact CG1-CB 4.24Å; P115-Y117 PolarHBondContact O-N 3.31Å; P115-N118 PolarHBondContact O-N 3.41Å |
| 116 | L | 92.4 | Very high | 92.8 | Very high | 70 Ų | 70 | 71.1 Ų | 71.1 | 37% | 0.366 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -63.7 | -24 | 174.8 | -63.1 | 175.6 | 0 | 0 | 0 | 113.8 | V94 F97 Q114 N118 I119 | V94-L116 HydrophobicContact CB-CD2 4.45Å; V94-L116 HydrophobicContact CG1-CD2 4.27Å; V94-L116 HydrophobicContact CG2-CD2 4.03Å; F97-L116 HydrophobicContact CB-CD2 4.45Å; F97-L116 HydrophobicContact CD2-CD2 4.08Å; Q114-L116 PolarHBondContact O-N 3.48Å; Q114-L116 VanDerWaalsContact O-N 3.15Å; L116-N118 PolarHBondContact O-N 3.04Å; L116-I119 HydrophobicContact CD2-CD1 3.78Å; L116-I119 VanDerWaalsContact O-CG1 3.26Å; L116-I119 WeakPolarHBondContact O-CG1 3.03Å |
| 117 | Y | 90.6 | Very high | 92.8 | Very high | 108 Ų | 108 | 72.8 Ų | 72.8 | 42% | 0.424 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -68.1 | -22.5 | 176.6 | -87.4 | -61.7 | 0 | 0 | 0 | 113.6 | Q114 P115 R120 F183 | Q114-Y117 HydrophobicContact CB-CD2 3.53Å; Q114-Y117 HydrophobicContact CB-CE2 4.02Å; Q114-Y117 HydrophobicContact CG-CD2 4.37Å; Q114-Y117 HydrophobicContact CG-CE2 4.39Å; Q114-Y117 PolarHBondContact O-N 3.37Å; Q114-Y117 VanDerWaalsContact O-N 3.11Å; P115-Y117 PolarHBondContact O-N 3.31Å; Y117-R120 PolarHBondContact O-NH1 3.15Å; Y117-R120 PolarHBondContact O-NH2 3.45Å; Y117-F183 HydrophobicContact CD1-CE2 4.48Å; Y117-F183 AromaticContact CD1-CZ 3.82Å; Y117-F183 HydrophobicContact CD1-CZ 3.82Å; Y117-F183 HydrophobicContact CD2-CZ 4.26Å; Y117-F183 AromaticContact CE1-CE1 4Å; Y117-F183 HydrophobicContact CE1-CE1 4Å; Y117-F183 AromaticContact CE1-CE2 3.87Å; Y117-F183 HydrophobicContact CE1-CE2 3.87Å; Y117-F183 AromaticContact CE1-CZ 3.17Å; Y117-F183 HydrophobicContact CE1-CZ 3.17Å; Y117-F183 AromaticContact CE2-CE1 3.82Å; Y117-F183 HydrophobicContact CE2-CE1 3.82Å; Y117-F183 AromaticContact CE2-CZ 3.72Å; Y117-F183 HydrophobicContact CE2-CZ 3.72Å; Y117-F183 HydrophobicContact CG-CZ 4.29Å; Y117-F183 AromaticContact CZ-CE1 3.4Å; Y117-F183 VanDerWaalsContact CZ-CE1 3.4Å; Y117-F183 AromaticContact CZ-CZ 3.08Å; Y117-F183 WeakPolarHBondContact OH-CE1 3.5Å; Y117-F183 VanDerWaalsContact OH-CZ 3.23Å; Y117-F183 WeakPolarHBondContact OH-CZ 3.43Å |
| 118 | N | 93.6 | Very high | 92.8 | Very high | 34 Ų | 34 | 73.9 Ų | 73.9 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -110.9 | 26.8 | -173.5 | -73.3 | -3.7 | 0 | 0 | 0 | 112.2 | I81 T82 E83 V110 P115 L116 | I81-N118 CarbonylContact C-O 3.51Å; I81-N118 WeakPolarHBondContact CA-O 3.45Å; T82-N118 PolarHBondContact N-O 3.27Å; T82-N118 WeakPolarHBondContact OG1-CB 3.42Å; T82-N118 PolarHBondContact OG1-O 3.43Å; E83-N118 HydrophobicContact CG-CB 4.36Å; V110-N118 HydrophobicContact CG1-CB 3.81Å; V110-N118 PolarHBondContact O-ND2 2.92Å; P115-N118 PolarHBondContact O-N 3.41Å; L116-N118 PolarHBondContact O-N 3.04Å |
| 119 | I | 96.6 | Very high | 92.9 | Very high | 20 Ų | 20 | 70.9 Ų | 70.9 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 145.6 | 166.9 | 53 | 169.9 | 0 | 0 | 0 | 111.4 | T79 T80 I81 I93 V94 F97 L116 | T79-I119 HydrophobicContact CG2-CB 3.8Å; T79-I119 HydrophobicContact CG2-CD1 3.99Å; T79-I119 HydrophobicContact CG2-CG1 4.34Å; T79-I119 HydrophobicContact CG2-CG2 4.38Å; T80-I119 CarbonylContact O-C 3.59Å; T80-I119 WeakPolarHBondContact O-CA 3.33Å; I81-I119 HydrophobicContact CB-CG2 4.4Å; I81-I119 HydrophobicContact CG1-CG2 3.79Å; I93-I119 HydrophobicContact CG1-CG2 4.49Å; I93-I119 HydrophobicContact CG2-CD1 4.45Å; V94-I119 HydrophobicContact CG2-CD1 4.14Å; F97-I119 HydrophobicContact CE2-CD1 4.45Å; F97-I119 HydrophobicContact CE2-CG2 3.6Å; F97-I119 HydrophobicContact CZ-CG2 4.27Å; L116-I119 HydrophobicContact CD2-CD1 3.78Å; L116-I119 VanDerWaalsContact O-CG1 3.26Å; L116-I119 WeakPolarHBondContact O-CG1 3.03Å |
| 120 | R | 97.1 | Very high | 93.1 | Very high | 132 Ų | 132 | 70.3 Ų | 70.3 | 50% | 0.498 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 140.2 | 179.1 | -62.4 | -67.4 | 177.5 | -91.7 | -6 | 110 | T79 T80 T82 Y117 D122 | T79-R120 CarbonylContact C-O 3.51Å; T79-R120 WeakPolarHBondContact CA-O 3.24Å; T80-R120 PolarHBondContact N-O 2.96Å; T80-R120 PolarHBondContact O-N 2.89Å; T82-R120 HydrophobicContact CG2-CG 3.69Å; Y117-R120 PolarHBondContact O-NH1 3.15Å; Y117-R120 PolarHBondContact O-NH2 3.45Å; R120-D122 PolarHBondContact O-N 3.16Å |
| 121 | P | 97.8 | Very high | 93.1 | Very high | 96 Ų | 96 | 78.7 Ų | 78.7 | 62% | 0.623 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 128.2 | 168 | -19.8 | 32 | 0 | 0 | 0 | 110 | R123 | P121-R123 PolarHBondContact O-N 3.18Å |
| 122 | D | 98.1 | Very high | 93 | Very high | 44 Ų | 44 | 78.4 Ų | 78.4 | 24% | 0.235 | 37% | 0.371 | C | S | . | . | trans | -100 | 81 | 178.6 | -162.1 | -32.5 | 0 | 0 | 0 | 109.2 | A78 T80 R120 Q124 L125 Q126 | A78-D122 HydrophobicContact CB-CB 4.27Å; A78-D122 PolarHBondContact O-N 3.4Å; T80-D122 WeakPolarHBondContact OG1-CB 3.07Å; T80-D122 PolarHBondContact OG1-OD2 3.28Å; R120-D122 PolarHBondContact O-N 3.16Å; D122-Q124 VanDerWaalsContact C-N 3.28Å; D122-Q124 PolarHBondContact O-N 2.89Å; D122-L125 HydrophobicContact CB-CB 4.1Å; D122-L125 VanDerWaalsContact CG-CB 3.45Å; D122-L125 PolarHBondContact O-N 3.44Å; D122-L125 VanDerWaalsContact OD1-CB 3.28Å; D122-L125 WeakPolarHBondContact OD1-CB 3.27Å; D122-L125 PolarHBondContact OD1-N 3.23Å; D122-Q126 WeakPolarHBondContact O-CB 3.23Å; D122-Q126 PolarHBondContact O-N 3.45Å | ||
| 123 | R | 96.8 | Very high | 93.6 | Very high | 198 Ų | 198 | 71.7 Ų | 71.7 | 75% | 0.747 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.1 | -38.1 | -176 | -63.6 | -176.1 | -178.7 | 179.3 | -0.3 | 111.7 | P121 Q126 D127 | P121-R123 PolarHBondContact O-N 3.18Å; R123-Q126 PolarHBondContact O-N 2.87Å; R123-D127 WeakPolarHBondContact O-CB 3.1Å; R123-D127 PolarHBondContact O-N 2.88Å |
| 124 | Q | 97.2 | Very high | 94.1 | Very high | 154 Ų | 154 | 71.7 Ų | 71.7 | 72% | 0.72 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67.2 | -45.2 | -179.1 | -63.8 | -175.5 | -72.4 | 0 | 0 | 111 | D122 Q126 D127 I128 | D122-Q124 VanDerWaalsContact C-N 3.28Å; D122-Q124 PolarHBondContact O-N 2.89Å; Q124-Q126 VanDerWaalsContact C-N 3.33Å; Q124-Q126 PolarHBondContact O-N 2.82Å; Q124-D127 PolarHBondContact O-N 2.73Å; Q124-I128 VanDerWaalsContact O-CG1 3.26Å; Q124-I128 WeakPolarHBondContact O-CG1 3.16Å; Q124-I128 PolarHBondContact O-N 3.31Å |
| 125 | L | 97.4 | Very high | 94.5 | Very high | 33 Ų | 33 | 75.7 Ų | 75.7 | 17% | 0.173 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.8 | -41 | 174.7 | -177 | 58.5 | 0 | 0 | 0 | 111.3 | L75 A78 T87 D122 D127 I128 V129 | L75-L125 HydrophobicContact CD1-CD2 3.75Å; L75-L125 HydrophobicContact CD1-CG 4.15Å; A78-L125 HydrophobicContact CB-CB 4.46Å; A78-L125 HydrophobicContact CB-CD2 4.46Å; A78-L125 HydrophobicContact CB-CG 4.44Å; T87-L125 HydrophobicContact CG2-CD2 3.54Å; D122-L125 HydrophobicContact CB-CB 4.1Å; D122-L125 VanDerWaalsContact CG-CB 3.45Å; D122-L125 PolarHBondContact O-N 3.44Å; D122-L125 VanDerWaalsContact OD1-CB 3.28Å; D122-L125 WeakPolarHBondContact OD1-CB 3.27Å; D122-L125 PolarHBondContact OD1-N 3.23Å; L125-D127 VanDerWaalsContact C-N 3.34Å; L125-D127 PolarHBondContact O-N 3.47Å; L125-I128 PolarHBondContact O-N 2.88Å; L125-V129 HydrophobicContact CD1-CG2 4.3Å; L125-V129 HydrophobicContact CG-CG2 4.37Å; L125-V129 WeakPolarHBondContact O-CG2 3.47Å; L125-V129 PolarHBondContact O-N 3.24Å |
| 126 | Q | 97.9 | Very high | 94.9 | Very high | 12 Ų | 12 | 76.1 Ų | 76.1 | 6% | 0.056 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 176.3 | -170.7 | 60 | 57.7 | 0 | 0 | 112.2 | L75 A78 D122 R123 Q124 I128 V129 Y130 | L75-Q126 PolarHBondContact O-NE2 3.43Å; L75-Q126 PolarHBondContact O-OE1 3.48Å; A78-Q126 HydrophobicContact CB-CB 4.06Å; D122-Q126 WeakPolarHBondContact O-CB 3.23Å; D122-Q126 PolarHBondContact O-N 3.45Å; R123-Q126 PolarHBondContact O-N 2.87Å; Q124-Q126 VanDerWaalsContact C-N 3.33Å; Q124-Q126 PolarHBondContact O-N 2.82Å; Q126-I128 VanDerWaalsContact C-N 3.31Å; Q126-I128 PolarHBondContact O-N 3.49Å; Q126-V129 PolarHBondContact O-N 3.38Å; Q126-Y130 HydrophobicContact CG-CD2 4.01Å; Q126-Y130 HydrophobicContact CG-CE2 3.67Å; Q126-Y130 PolarHBondContact O-N 3.41Å |
| 127 | D | 96.6 | Very high | 95.1 | Very high | 85 Ų | 85 | 77.9 Ų | 77.9 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 177.2 | -67.4 | -15.2 | 0 | 0 | 0 | 111.3 | R123 Q124 L125 K131 | R123-D127 WeakPolarHBondContact O-CB 3.1Å; R123-D127 PolarHBondContact O-N 2.88Å; Q124-D127 PolarHBondContact O-N 2.73Å; L125-D127 VanDerWaalsContact C-N 3.34Å; L125-D127 PolarHBondContact O-N 3.47Å; D127-K131 WeakPolarHBondContact O-CB 3.44Å; D127-K131 VanDerWaalsContact O-CG 3.24Å; D127-K131 WeakPolarHBondContact O-CG 3.37Å; D127-K131 PolarHBondContact O-N 2.93Å |
| 128 | I | 95.5 | Very high | 95.3 | Very high | 91 Ų | 91 | 78.3 Ų | 78.3 | 47% | 0.467 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.6 | -48 | 174 | -69.5 | 164.1 | 0 | 0 | 0 | 109.9 | Q124 L125 Q126 Y130 K131 M132 | Q124-I128 VanDerWaalsContact O-CG1 3.26Å; Q124-I128 WeakPolarHBondContact O-CG1 3.16Å; Q124-I128 PolarHBondContact O-N 3.31Å; L125-I128 PolarHBondContact O-N 2.88Å; Q126-I128 VanDerWaalsContact C-N 3.31Å; Q126-I128 PolarHBondContact O-N 3.49Å; I128-Y130 VanDerWaalsContact C-N 3.34Å; I128-Y130 PolarHBondContact O-N 3.09Å; I128-K131 PolarHBondContact O-N 3.27Å; I128-M132 HydrophobicContact CG2-CG 4.01Å; I128-M132 WeakPolarHBondContact O-CB 3.31Å; I128-M132 WeakPolarHBondContact O-CG 3.35Å; I128-M132 PolarHBondContact O-N 3.44Å |
| 129 | V | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59 | -44.9 | -179.5 | 173.5 | 0 | 0 | 0 | 0 | 111 | I66 L75 L125 Q126 M132 L133 L136 | I66-V129 HydrophobicContact CB-CG2 3.98Å; I66-V129 HydrophobicContact CG2-CG2 3.97Å; L75-V129 HydrophobicContact CB-CG2 4.25Å; L75-V129 HydrophobicContact CD1-CG2 4.26Å; L125-V129 HydrophobicContact CD1-CG2 4.3Å; L125-V129 HydrophobicContact CG-CG2 4.37Å; L125-V129 WeakPolarHBondContact O-CG2 3.47Å; L125-V129 PolarHBondContact O-N 3.24Å; Q126-V129 PolarHBondContact O-N 3.38Å; V129-M132 PolarHBondContact O-N 3.13Å; V129-L133 HydrophobicContact CG1-CD1 3.96Å; V129-L133 WeakPolarHBondContact O-CB 3.46Å; V129-L133 PolarHBondContact O-N 2.89Å; V129-L133 VanDerWaalsContact O-N 3.15Å; V129-L136 HydrophobicContact CG1-CD2 3.79Å |
| 130 | Y | 95.9 | Very high | 95.4 | Very high | 40 Ų | 40 | 82.9 Ų | 82.9 | 16% | 0.157 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.7 | -33.7 | 178.1 | -71.2 | -29.6 | 0 | 0 | 0 | 113.8 | I76 Q126 I128 L136 E137 | I76-Y130 HydrophobicContact CD1-CE1 4.02Å; Q126-Y130 HydrophobicContact CG-CD2 4.01Å; Q126-Y130 HydrophobicContact CG-CE2 3.67Å; Q126-Y130 PolarHBondContact O-N 3.41Å; I128-Y130 VanDerWaalsContact C-N 3.34Å; I128-Y130 PolarHBondContact O-N 3.09Å; Y130-L136 HydrophobicContact CD1-CB 4.27Å; Y130-L136 HydrophobicContact CD1-CD2 3.89Å; Y130-L136 HydrophobicContact CD1-CG 4Å; Y130-L136 HydrophobicContact CE1-CD2 4.05Å; Y130-L136 HydrophobicContact CE1-CG 4Å; Y130-E137 HydrophobicContact CD1-CB 3.82Å; Y130-E137 HydrophobicContact CD1-CG 4.47Å; Y130-E137 HydrophobicContact CD2-CB 4.05Å; Y130-E137 HydrophobicContact CD2-CG 3.91Å; Y130-E137 HydrophobicContact CE1-CB 4.12Å; Y130-E137 HydrophobicContact CE2-CB 4.33Å; Y130-E137 HydrophobicContact CE2-CG 3.94Å; Y130-E137 HydrophobicContact CG-CB 3.79Å; Y130-E137 HydrophobicContact CG-CG 4.2Å |
| 131 | K | 93.7 | Very high | 95.2 | Very high | 178 Ų | 178 | 81.8 Ų | 81.8 | 77% | 0.774 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -72.9 | -32.8 | 174.6 | -73.7 | 172.1 | -178.1 | 174.9 | 0 | 113.1 | D127 I128 | D127-K131 WeakPolarHBondContact O-CB 3.44Å; D127-K131 VanDerWaalsContact O-CG 3.24Å; D127-K131 WeakPolarHBondContact O-CG 3.37Å; D127-K131 PolarHBondContact O-N 2.93Å; I128-K131 PolarHBondContact O-N 3.27Å |
| 132 | M | 91.9 | Very high | 95.1 | Very high | 48 Ų | 48 | 79.3 Ų | 79.3 | 24% | 0.236 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -78.5 | -25.8 | -179.1 | -72 | -66.7 | -62 | 0 | 0 | 113 | L57 L59 F62 I128 V129 | L57-M132 HydrophobicContact CD1-CE 4.38Å; L59-M132 HydrophobicContact CD2-CE 4.34Å; L59-M132 WeakPolarHBondContact CD2-O 3.39Å; F62-M132 HydrophobicContact CD1-CE 4.37Å; F62-M132 HydrophobicContact CD2-CE 3.91Å; F62-M132 HydrophobicContact CE1-CE 4.42Å; F62-M132 HydrophobicContact CE2-CE 3.96Å; F62-M132 HydrophobicContact CG-CE 4.11Å; F62-M132 HydrophobicContact CZ-CE 4.21Å; I128-M132 HydrophobicContact CG2-CG 4.01Å; I128-M132 WeakPolarHBondContact O-CB 3.31Å; I128-M132 WeakPolarHBondContact O-CG 3.35Å; I128-M132 PolarHBondContact O-N 3.44Å; V129-M132 PolarHBondContact O-N 3.13Å |
| 133 | L | 91.8 | Very high | 95 | Very high | 9 Ų | 9 | 83.7 Ų | 83.7 | 5% | 0.047 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -114.8 | 105.3 | -173.4 | -65 | 172.3 | 0 | 0 | 0 | 110.3 | L59 I66 F74 V129 H135 L136 | L59-L133 HydrophobicContact CD1-CD2 4.02Å; L59-L133 HydrophobicContact CD2-CD2 4.32Å; I66-L133 HydrophobicContact CD1-CD1 4.07Å; I66-L133 HydrophobicContact CD1-CD2 4.19Å; I66-L133 HydrophobicContact CD1-CG 4.28Å; F74-L133 HydrophobicContact CB-CD1 3.92Å; F74-L133 HydrophobicContact CD1-CD1 3.34Å; F74-L133 HydrophobicContact CD2-CD1 3.73Å; F74-L133 HydrophobicContact CE1-CD1 3.66Å; F74-L133 HydrophobicContact CE1-CD2 4.02Å; F74-L133 HydrophobicContact CE2-CD1 4.01Å; F74-L133 HydrophobicContact CE2-CD2 4.34Å; F74-L133 HydrophobicContact CG-CD1 3.38Å; F74-L133 HydrophobicContact CZ-CD1 3.98Å; F74-L133 HydrophobicContact CZ-CD2 3.9Å; V129-L133 HydrophobicContact CG1-CD1 3.96Å; V129-L133 WeakPolarHBondContact O-CB 3.46Å; V129-L133 PolarHBondContact O-N 2.89Å; V129-L133 VanDerWaalsContact O-N 3.15Å; L133-H135 PolarHBondContact O-N 3.18Å; L133-L136 HydrophobicContact CB-CB 3.92Å; L133-L136 HydrophobicContact CB-CD2 4.09Å; L133-L136 HydrophobicContact CD1-CD2 3.59Å; L133-L136 HydrophobicContact CG-CD2 4.5Å; L133-L136 PolarHBondContact O-N 2.8Å |
| 134 | P | 89.4 | Confident | 94.8 | Very high | 97 Ų | 97 | 77.3 Ų | 77.3 | 63% | 0.63 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 136.9 | 177.8 | -25.2 | 33.4 | 0 | 0 | 0 | 111.6 | L136 | P134-L136 PolarHBondContact O-N 2.99Š|
| 135 | H | 92 | Very high | 94.7 | Very high | 129 Ų | 129 | 71.7 Ų | 71.7 | 60% | 0.597 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | -2.4 | 174 | -48.4 | -56.5 | 0 | 0 | 0 | 116.8 | L133 E137 E138 L139 | L133-H135 PolarHBondContact O-N 3.18Å; H135-E137 PolarHBondContact O-N 2.87Å; H135-E138 WeakPolarHBondContact CA-OE2 3.37Å; H135-E138 PolarHBondContact O-N 2.78Å; H135-L139 HydrophobicContact CB-CD1 4.27Å; H135-L139 HydrophobicContact CB-CG 4.41Å; H135-L139 VanDerWaalsContact O-CB 3.29Å; H135-L139 WeakPolarHBondContact O-CB 3.3Å; H135-L139 WeakPolarHBondContact O-CG 3.28Å; H135-L139 PolarHBondContact O-N 3.35Å |
| 136 | L | 94.8 | Very high | 94.6 | Very high | 21 Ų | 21 | 73.8 Ų | 73.8 | 11% | 0.11 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.5 | -44.5 | -175.4 | -179.7 | 65.7 | 0 | 0 | 0 | 111.7 | F74 I76 V129 Y130 L133 P134 L139 E140 | F74-L136 HydrophobicContact CB-CD2 3.9Å; F74-L136 HydrophobicContact CD2-CD1 4.39Å; F74-L136 HydrophobicContact CG-CD2 4.45Å; I76-L136 HydrophobicContact CD1-CD1 4.21Å; I76-L136 HydrophobicContact CD1-CD2 4.33Å; I76-L136 HydrophobicContact CD1-CG 4.25Å; V129-L136 HydrophobicContact CG1-CD2 3.79Å; Y130-L136 HydrophobicContact CD1-CB 4.27Å; Y130-L136 HydrophobicContact CD1-CD2 3.89Å; Y130-L136 HydrophobicContact CD1-CG 4Å; Y130-L136 HydrophobicContact CE1-CD2 4.05Å; Y130-L136 HydrophobicContact CE1-CG 4Å; L133-L136 HydrophobicContact CB-CB 3.92Å; L133-L136 HydrophobicContact CB-CD2 4.09Å; L133-L136 HydrophobicContact CD1-CD2 3.59Å; L133-L136 HydrophobicContact CG-CD2 4.5Å; L133-L136 PolarHBondContact O-N 2.8Å; P134-L136 PolarHBondContact O-N 2.99Å; L136-L139 PolarHBondContact O-N 3.45Å; L136-E140 WeakPolarHBondContact O-CB 3.17Å; L136-E140 PolarHBondContact O-N 2.96Å |
| 137 | E | 95.8 | Very high | 94.5 | Very high | 106 Ų | 106 | 77.8 Ų | 77.8 | 50% | 0.495 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 179.7 | -171.4 | 176.5 | 177.3 | 0 | 0 | 111.1 | Y130 H135 L139 E140 R141 | Y130-E137 HydrophobicContact CD1-CB 3.82Å; Y130-E137 HydrophobicContact CD1-CG 4.47Å; Y130-E137 HydrophobicContact CD2-CB 4.05Å; Y130-E137 HydrophobicContact CD2-CG 3.91Å; Y130-E137 HydrophobicContact CE1-CB 4.12Å; Y130-E137 HydrophobicContact CE2-CB 4.33Å; Y130-E137 HydrophobicContact CE2-CG 3.94Å; Y130-E137 HydrophobicContact CG-CB 3.79Å; Y130-E137 HydrophobicContact CG-CG 4.2Å; H135-E137 PolarHBondContact O-N 2.87Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3.22Å; E137-E140 PolarHBondContact O-N 3.46Å; E137-R141 VanDerWaalsContact O-CB 3.29Å; E137-R141 WeakPolarHBondContact O-CB 3.38Å; E137-R141 PolarHBondContact O-N 2.92Å |
| 138 | E | 95.1 | Very high | 94.4 | Very high | 117 Ų | 117 | 77 Ų | 77 | 55% | 0.547 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 177.7 | -66.4 | 86.5 | 174.7 | 0 | 0 | 111.9 | H135 R141 A142 | H135-E138 WeakPolarHBondContact CA-OE2 3.37Å; H135-E138 PolarHBondContact O-N 2.78Å; E138-R141 PolarHBondContact O-N 2.87Å; E138-A142 WeakPolarHBondContact O-CB 3.16Å; E138-A142 PolarHBondContact O-N 2.9Å |
| 139 | L | 95.9 | Very high | 94.3 | Very high | 101 Ų | 101 | 79.1 Ų | 79.1 | 53% | 0.529 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 179.1 | -73.2 | 172.7 | 0 | 0 | 0 | 112.6 | H135 L136 E137 R143 | H135-L139 HydrophobicContact CB-CD1 4.27Å; H135-L139 HydrophobicContact CB-CG 4.41Å; H135-L139 VanDerWaalsContact O-CB 3.29Å; H135-L139 WeakPolarHBondContact O-CB 3.3Å; H135-L139 WeakPolarHBondContact O-CG 3.28Å; H135-L139 PolarHBondContact O-N 3.35Å; L136-L139 PolarHBondContact O-N 3.45Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3.22Å; L139-R143 WeakPolarHBondContact O-CB 3.32Å; L139-R143 WeakPolarHBondContact O-CG 3.24Å; L139-R143 PolarHBondContact O-N 3.1Å; L139-R143 VanDerWaalsContact O-N 3.08Å; L139-R143 PolarHBondContact O-NE 2.75Å |
| 140 | E | 96 | Very high | 94.3 | Very high | 50 Ų | 50 | 86.4 Ų | 86.4 | 23% | 0.234 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 174.1 | -174.8 | 61.4 | -153.6 | 0 | 0 | 110.9 | I76 L136 E137 A142 R143 M144 | I76-E140 HydrophobicContact CD1-CB 4.26Å; I76-E140 HydrophobicContact CD1-CG 4.11Å; I76-E140 HydrophobicContact CG2-CG 3.82Å; L136-E140 WeakPolarHBondContact O-CB 3.17Å; L136-E140 PolarHBondContact O-N 2.96Å; E137-E140 PolarHBondContact O-N 3.46Å; E140-A142 PolarHBondContact O-N 2.96Å; E140-R143 PolarHBondContact O-N 3.42Å; E140-R143 IonicContact OE2-CZ 3Å; E140-R143 IonicContact OE2-NE 3.82Å; E140-R143 IonicContact OE2-NH1 3.11Å; E140-R143 PolarHBondContact OE2-NH1 2.89Å; E140-R143 VanDerWaalsContact OE2-NH1 3.11Å; E140-R143 IonicContact OE2-NH2 2.7Å; E140-R143 PolarHBondContact OE2-NH2 3.5Å; E140-M144 PolarHBondContact O-N 3.24Å |
| 141 | R | 94.1 | Very high | 94.2 | Very high | 109 Ų | 109 | 91 Ų | 91 | 41% | 0.411 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 176.6 | -177.2 | -178.9 | 173.3 | 77.5 | 5.8 | 111.9 | E137 E138 M144 I145 | E137-R141 VanDerWaalsContact O-CB 3.29Å; E137-R141 WeakPolarHBondContact O-CB 3.38Å; E137-R141 PolarHBondContact O-N 2.92Å; E138-R141 PolarHBondContact O-N 2.87Å; R141-M144 PolarHBondContact O-N 3.24Å; R141-I145 HydrophobicContact CG-CD1 3.96Å; R141-I145 VanDerWaalsContact O-CG1 3.28Å; R141-I145 WeakPolarHBondContact O-CG1 3.18Å; R141-I145 PolarHBondContact O-N 2.98Å |
| 142 | A | 95.5 | Very high | 94.2 | Very high | 43 Ų | 43 | 86 Ų | 86 | 36% | 0.355 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E138 E140 M144 I145 D146 | E138-A142 WeakPolarHBondContact O-CB 3.16Å; E138-A142 PolarHBondContact O-N 2.9Å; E140-A142 PolarHBondContact O-N 2.96Å; A142-M144 VanDerWaalsContact C-N 3.3Å; A142-M144 PolarHBondContact O-N 3Å; A142-I145 PolarHBondContact O-N 3.4Å; A142-I145 VanDerWaalsContact O-N 3.13Å; A142-D146 PolarHBondContact O-N 3.39Å |
| 143 | R | 95.6 | Very high | 94.1 | Very high | 136 Ų | 136 | 88.2 Ų | 88.2 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.4 | -41.8 | 175.8 | -77.3 | -178 | -79.1 | 147.6 | 0.8 | 112.4 | L139 E140 F147 | L139-R143 WeakPolarHBondContact O-CB 3.32Å; L139-R143 WeakPolarHBondContact O-CG 3.24Å; L139-R143 PolarHBondContact O-N 3.1Å; L139-R143 VanDerWaalsContact O-N 3.08Å; L139-R143 PolarHBondContact O-NE 2.75Å; E140-R143 PolarHBondContact O-N 3.42Å; E140-R143 IonicContact OE2-CZ 3Å; E140-R143 IonicContact OE2-NE 3.82Å; E140-R143 IonicContact OE2-NH1 3.11Å; E140-R143 PolarHBondContact OE2-NH1 2.89Å; E140-R143 VanDerWaalsContact OE2-NH1 3.11Å; E140-R143 IonicContact OE2-NH2 2.7Å; E140-R143 PolarHBondContact OE2-NH2 3.5Å; R143-F147 WeakPolarHBondContact O-CB 3.43Å; R143-F147 PolarHBondContact O-N 3.43Å; R143-F147 VanDerWaalsContact O-N 3.07Å |
| 144 | M | 93.7 | Very high | 94.1 | Very high | 65 Ų | 65 | 96.7 Ų | 96.7 | 32% | 0.32 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.1 | -51 | 174.1 | -177 | -171.6 | 66.5 | 0 | 0 | 111.2 | E140 R141 A142 D146 F147 Y148 | E140-M144 PolarHBondContact O-N 3.24Å; R141-M144 PolarHBondContact O-N 3.24Å; A142-M144 VanDerWaalsContact C-N 3.3Å; A142-M144 PolarHBondContact O-N 3Å; M144-D146 VanDerWaalsContact C-N 3.3Å; M144-D146 PolarHBondContact O-N 3.4Å; M144-F147 WeakPolarHBondContact O-CB 3.43Å; M144-F147 PolarHBondContact O-N 3.23Å; M144-Y148 HydrophobicContact CG-CD2 3.99Å; M144-Y148 HydrophobicContact CG-CE2 3.84Å; M144-Y148 VanDerWaalsContact O-CD2 3.31Å; M144-Y148 WeakPolarHBondContact O-CD2 3.27Å; M144-Y148 PolarHBondContact O-N 3.48Å |
| 145 | I | 94.4 | Very high | 94 | Very high | 35 Ų | 35 | 94.6 Ų | 94.6 | 18% | 0.179 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -58 | -45.5 | -178.4 | -70.2 | 168 | 0 | 0 | 0 | 110.9 | R141 A142 F147 Y148 K149 V155 | R141-I145 HydrophobicContact CG-CD1 3.96Å; R141-I145 VanDerWaalsContact O-CG1 3.28Å; R141-I145 WeakPolarHBondContact O-CG1 3.18Å; R141-I145 PolarHBondContact O-N 2.98Å; A142-I145 PolarHBondContact O-N 3.4Å; A142-I145 VanDerWaalsContact O-N 3.13Å; I145-F147 VanDerWaalsContact C-N 3.33Å; I145-F147 PolarHBondContact O-N 2.94Å; I145-Y148 PolarHBondContact O-N 3.49Å; I145-K149 HydrophobicContact CG2-CD 3.81Å; I145-K149 VanDerWaalsContact CG2-CE 3.41Å; I145-K149 HydrophobicContact CG2-CG 4.29Å; I145-K149 WeakPolarHBondContact O-CB 3.34Å; I145-K149 WeakPolarHBondContact O-CG 3.43Å; I145-K149 PolarHBondContact O-N 3.12Å; I145-V155 HydrophobicContact CG1-CG1 3.98Å; I145-V155 HydrophobicContact CG2-CG2 4.41Å |
| 146 | D | 96.1 | Very high | 93.8 | Very high | 77 Ų | 77 | 91 Ų | 91 | 41% | 0.412 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 179.6 | -69.8 | -16.9 | 0 | 0 | 0 | 111.6 | A142 M144 Y148 K149 Q150 | A142-D146 PolarHBondContact O-N 3.39Å; M144-D146 VanDerWaalsContact C-N 3.3Å; M144-D146 PolarHBondContact O-N 3.4Å; D146-Y148 PolarHBondContact O-N 2.86Å; D146-K149 PolarHBondContact O-N 3.07Å; D146-Q150 VanDerWaalsContact O-CB 3.32Å; D146-Q150 WeakPolarHBondContact O-CB 3.41Å; D146-Q150 WeakPolarHBondContact O-CG 3.25Å; D146-Q150 PolarHBondContact O-N 3.46Å |
| 147 | F | 95.4 | Very high | 93 | Very high | 97 Ų | 97 | 99.1 Ų | 99.1 | 43% | 0.425 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.4 | -44.4 | 175.5 | 173.9 | -83.5 | 0 | 0 | 0 | 113 | R143 M144 I145 R151 | R143-F147 WeakPolarHBondContact O-CB 3.43Å; R143-F147 PolarHBondContact O-N 3.43Å; R143-F147 VanDerWaalsContact O-N 3.07Å; M144-F147 WeakPolarHBondContact O-CB 3.43Å; M144-F147 PolarHBondContact O-N 3.23Å; I145-F147 VanDerWaalsContact C-N 3.33Å; I145-F147 PolarHBondContact O-N 2.94Å; F147-R151 VanDerWaalsContact CD2-CZ 3.48Å; F147-R151 VanDerWaalsContact CE2-NH2 3.33Å; F147-R151 VanDerWaalsContact CZ-CZ 3.5Å; F147-R151 PolarHBondContact O-NH1 2.96Å; F147-R151 VanDerWaalsContact O-NH1 3.09Å |
| 148 | Y | 93.2 | Very high | 91.8 | Very high | 68 Ų | 68 | 97.7 Ų | 97.7 | 27% | 0.267 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -72.1 | -45 | 179.8 | -82.2 | -91.2 | 0 | 0 | 0 | 111.3 | M144 I145 D146 Q150 R151 G152 L153 E154 P156 | M144-Y148 HydrophobicContact CG-CD2 3.99Å; M144-Y148 HydrophobicContact CG-CE2 3.84Å; M144-Y148 VanDerWaalsContact O-CD2 3.31Å; M144-Y148 WeakPolarHBondContact O-CD2 3.27Å; M144-Y148 PolarHBondContact O-N 3.48Å; I145-Y148 PolarHBondContact O-N 3.49Å; D146-Y148 PolarHBondContact O-N 2.86Å; Y148-Q150 PolarHBondContact O-N 3Å; Y148-R151 CarbonylContact O-C 3.6Å; Y148-R151 PolarHBondContact O-N 3.26Å; Y148-R151 VanDerWaalsContact O-N 3.13Å; Y148-G152 PolarHBondContact O-N 2.94Å; Y148-L153 HydrophobicContact CD1-CB 3.68Å; Y148-L153 HydrophobicContact CD1-CD1 4.31Å; Y148-L153 HydrophobicContact CE1-CB 4.47Å; Y148-L153 PolarHBondContact O-N 3.39Å; Y148-E154 VanDerWaalsContact CD1-O 3.24Å; Y148-E154 WeakPolarHBondContact CD1-O 3.25Å; Y148-P156 HydrophobicContact CE1-CG 3.92Å; Y148-P156 HydrophobicContact CE2-CG 3.92Å |
| 149 | K | 94.1 | Very high | 90.1 | Very high | 136 Ų | 136 | 99 Ų | 99 | 59% | 0.591 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.7 | -46.1 | 178 | -75.7 | 178.4 | 178.4 | 172.8 | 0 | 112.4 | I145 D146 R151 G152 V155 | I145-K149 HydrophobicContact CG2-CD 3.81Å; I145-K149 VanDerWaalsContact CG2-CE 3.41Å; I145-K149 HydrophobicContact CG2-CG 4.29Å; I145-K149 WeakPolarHBondContact O-CB 3.34Å; I145-K149 WeakPolarHBondContact O-CG 3.43Å; I145-K149 PolarHBondContact O-N 3.12Å; D146-K149 PolarHBondContact O-N 3.07Å; K149-R151 PolarHBondContact O-N 3.03Å; K149-R151 VanDerWaalsContact O-N 3.14Å; K149-G152 PolarHBondContact O-N 2.82Å; K149-V155 HydrophobicContact CG-CG2 4.35Å |
| 150 | Q | 95.8 | Very high | 87.9 | Confident | 153 Ų | 153 | 100 Ų | 100 | 72% | 0.715 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.6 | -21.9 | 178.9 | -73.2 | 172.3 | 15.1 | 0 | 0 | 113.1 | D146 Y148 | D146-Q150 VanDerWaalsContact O-CB 3.32Å; D146-Q150 WeakPolarHBondContact O-CB 3.41Å; D146-Q150 WeakPolarHBondContact O-CG 3.25Å; D146-Q150 PolarHBondContact O-N 3.46Å; Y148-Q150 PolarHBondContact O-N 3Å |
| 151 | R | 94.7 | Very high | 85.4 | Confident | 135 Ų | 135 | 102.2 Ų | 102.2 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 2.2 | 178.3 | -70.6 | 173.5 | 176.4 | 69.8 | 3.2 | 113.5 | F147 Y148 K149 L153 | F147-R151 VanDerWaalsContact CD2-CZ 3.48Å; F147-R151 VanDerWaalsContact CE2-NH2 3.33Å; F147-R151 VanDerWaalsContact CZ-CZ 3.5Å; F147-R151 PolarHBondContact O-NH1 2.96Å; F147-R151 VanDerWaalsContact O-NH1 3.09Å; Y148-R151 CarbonylContact O-C 3.6Å; Y148-R151 PolarHBondContact O-N 3.26Å; Y148-R151 VanDerWaalsContact O-N 3.13Å; K149-R151 PolarHBondContact O-N 3.03Å; K149-R151 VanDerWaalsContact O-N 3.14Å; R151-L153 HydrophobicContact CB-CD1 4.01Å; R151-L153 HydrophobicContact CB-CG 3.94Å; R151-L153 PolarHBondContact O-N 2.89Å |
| 152 | G | 92.2 | Very high | 82.8 | Confident | 73 Ų | 73 | 101.9 Ų | 101.9 | 75% | 0.753 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 23.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y148 K149 | Y148-G152 PolarHBondContact O-N 2.94Å; K149-G152 PolarHBondContact O-N 2.82Å |
| 153 | L | 91.8 | Very high | 80.2 | Confident | 96 Ų | 96 | 105.1 Ų | 105.1 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -92.6 | 149.3 | 178.9 | -63.8 | 176 | 0 | 0 | 0 | 110.5 | Y148 R151 V155 | Y148-L153 HydrophobicContact CD1-CB 3.68Å; Y148-L153 HydrophobicContact CD1-CD1 4.31Å; Y148-L153 HydrophobicContact CE1-CB 4.47Å; Y148-L153 PolarHBondContact O-N 3.39Å; R151-L153 HydrophobicContact CB-CD1 4.01Å; R151-L153 HydrophobicContact CB-CG 3.94Å; R151-L153 PolarHBondContact O-N 2.89Å; L153-V155 PolarHBondContact O-N 2.89Å |
| 154 | E | 90.3 | Very high | 77.6 | Confident | 187 Ų | 187 | 103.8 Ų | 103.8 | 87% | 0.874 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 129.9 | 173 | -69.2 | -169.2 | 173.5 | 0 | 0 | 110.7 | Y148 | Y148-E154 VanDerWaalsContact CD1-O 3.24Å; Y148-E154 WeakPolarHBondContact CD1-O 3.25Å |
| 155 | V | 88.4 | Confident | 75.1 | Confident | 53 Ų | 53 | 106.7 Ų | 106.7 | 32% | 0.321 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -70.9 | 127.3 | 176.9 | 178.7 | 0 | 0 | 0 | 0 | 109 | I145 K149 L153 K157 | I145-V155 HydrophobicContact CG1-CG1 3.98Å; I145-V155 HydrophobicContact CG2-CG2 4.41Å; K149-V155 HydrophobicContact CG-CG2 4.35Å; L153-V155 PolarHBondContact O-N 2.89Å; V155-K157 PolarHBondContact O-N 3.25Å |
| 156 | P | 86.3 | Confident | 72.7 | Confident | 54 Ų | 54 | 110.9 Ų | 110.9 | 35% | 0.351 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 129.5 | 176.1 | -25.6 | 34.4 | 0 | 0 | 0 | 111.6 | Y148 | Y148-P156 HydrophobicContact CE1-CG 3.92Å; Y148-P156 HydrophobicContact CE2-CG 3.92Å |
| 157 | K | 79.1 | Confident | 70.2 | Confident | 191 Ų | 191 | 113.4 Ų | 113.4 | 83% | 0.83 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -67 | 134.6 | 173.2 | -72 | 179.3 | -179 | 172.9 | 0 | 109 | V155 V159 | V155-K157 PolarHBondContact O-N 3.25Å; K157-V159 PolarHBondContact O-N 3.21Å |
| 158 | P | 69.5 | Low | 67.8 | Low | 75 Ų | 75 | 115.8 Ų | 115.8 | 49% | 0.487 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 129.7 | 174.6 | 18.1 | -25.1 | 0 | 0 | 0 | 109.6 | V160 | P158-V160 PolarHBondContact O-N 3.3Š|
| 159 | V | 59.2 | Low | 65.1 | Low | 145 Ų | 145 | 121.5 Ų | 121.5 | 88% | 0.879 | 70% | 0.696 | S | S | * | * | trans | -73.3 | 86.8 | 175.5 | -172.1 | 0 | 0 | 0 | 0 | 106.8 | K157 A161 | K157-V159 PolarHBondContact O-N 3.21Å; V159-A161 PolarHBondContact O-N 2.78Å | ||
| 160 | V | 50.9 | Low | 62.6 | Low | 123 Ų | 123 | 122.7 Ų | 122.7 | 75% | 0.745 | 71% | 0.709 | S | S | * | * | trans | -65.1 | 119.8 | 170.3 | -148 | 0 | 0 | 0 | 0 | 106.2 | P158 S162 | P158-V160 PolarHBondContact O-N 3.3Å; V160-S162 VanDerWaalsContact C-N 3.3Å; V160-S162 PolarHBondContact O-N 2.98Å | ||
| 161 | A | 42.7 | Very low | 60.1 | Low | 96 Ų | 96 | 124.7 Ų | 124.7 | 79% | 0.793 | 72% | 0.718 | S | S | * | * | trans | -62.1 | 96.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | V159 | V159-A161 PolarHBondContact O-N 2.78Š| ||
| 162 | S | 39.5 | Very low | 57.6 | Low | 102 Ų | 102 | 127.2 Ų | 127.2 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 134.7 | 175.6 | 45.5 | 0 | 0 | 0 | 0 | 109.4 | V160 | V160-S162 VanDerWaalsContact C-N 3.3Å; V160-S162 PolarHBondContact O-N 2.98Å |
| 163 | P | 41.3 | Very low | 55.5 | Low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 140.3 | 166 | -12.5 | 25.5 | 0 | 0 | 0 | 108.7 | V165 | P163-V165 PolarHBondContact O-N 2.98Å; P163-V165 VanDerWaalsContact O-N 3.17Å |
| 164 | A | 41.5 | Very low | 53.1 | Low | 108 Ų | 108 | 138.1 Ų | 138.1 | 89% | 0.893 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 119.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 165 | V | 40.9 | Very low | 51.1 | Low | 125 Ų | 125 | 141 Ų | 141 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | trans | -129.3 | 136.1 | 168 | -167.6 | 0 | 0 | 0 | 0 | 107.5 | P163 | P163-V165 PolarHBondContact O-N 2.98Å; P163-V165 VanDerWaalsContact O-N 3.17Å | ||
| 166 | P | 44.1 | Very low | 48.8 | Very low | 124 Ų | 124 | 146 Ų | 146 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | trans | -74.2 | 149.9 | -167.5 | 30.5 | -36.5 | 0 | 0 | 0 | 113.3 | ||||
| 167 | V | 43.1 | Very low | 47.1 | Very low | 130 Ų | 130 | 151.3 Ų | 151.3 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | trans | -50.7 | 134.9 | 177.3 | 175.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 168 | L | 45.5 | Very low | 45.5 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | 180 | 115.6 | 125.1 | -118.1 | 108.3 | 0 | 0 | 0 | 113.3 | |||||
| 169 | K | 35.8 | Very low | 44.4 | Very low | 188 Ų | 188 | 151.4 Ų | 151.4 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | 155 | 130.7 | 114.6 | -83.6 | -179 | -173.3 | 179.8 | 0 | 112.9 | |||||
| 170 | N | 41.3 | Very low | 43.7 | Very low | 162 Ų | 162 | 153.1 Ų | 153.1 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -43.4 | 131.6 | 171.7 | -69.4 | -23.8 | 0 | 0 | 0 | 114.8 | ||||
| 171 | Q | 44.3 | Very low | 43.3 | Very low | 195 Ų | 195 | 151.6 Ų | 151.6 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -139.3 | 138.9 | 140.4 | -71.1 | -166.1 | 4.8 | 0 | 0 | 111.4 | ||||
| 172 | K | 42.4 | Very low | 43.5 | Very low | 187 Ų | 187 | 153.6 Ų | 153.6 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -64.1 | 148.7 | -174.5 | -97.6 | 171 | 169.4 | 176.4 | 0 | 113.3 | ||||
| 173 | Q | 47.5 | Very low | 44.1 | Very low | 174 Ų | 174 | 153 Ų | 153 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 68 | 90.9 | 149.3 | -65.4 | 177.9 | 10.8 | 0 | 0 | 118 | ||||
| 174 | R | 40.8 | Very low | 44.9 | Very low | 224 Ų | 224 | 152.9 Ų | 152.9 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | -144.8 | 127.3 | 117.6 | -112.3 | 171.4 | 71.6 | -179.9 | 1.8 | 107 | E176 | R174-E176 PolarHBondContact O-N 3.24Š| |||
| 175 | R | 49 | Very low | 46 | Very low | 249 Ų | 249 | 151 Ų | 151 | 94% | 0.94 | 76% | 0.762 | S | S | * | * | trans | -68.7 | 77.6 | 173.2 | -170.7 | 172.3 | 157.5 | -167.6 | -6.8 | 106.5 | L177 | R175-L177 PolarHBondContact O-N 3.48Š| ||
| 176 | E | 40 | Very low | 47.5 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | trans | -60.4 | 122.2 | 170.2 | -73.1 | -176.2 | 143.5 | 0 | 0 | 106.3 | R174 L178 | R174-E176 PolarHBondContact O-N 3.24Å; E176-L178 PolarHBondContact O-N 3.41Å | ||
| 177 | L | 50.8 | Low | 48.9 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | trans | -57.3 | 101.7 | 163 | -84.4 | 95.9 | 0 | 0 | 0 | 105.8 | R175 | R175-L177 PolarHBondContact O-N 3.48Š| ||
| 178 | L | 44.7 | Very low | 50.6 | Low | 148 Ų | 148 | 145 Ų | 145 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | trans | -45.4 | 130.3 | 164.2 | -69.6 | 163 | 0 | 0 | 0 | 106.5 | E176 Q180 | E176-L178 PolarHBondContact O-N 3.41Å; L178-Q180 PolarHBondContact O-N 2.64Å | ||
| 179 | P | 46.3 | Very low | 52.4 | Low | 119 Ų | 119 | 139.9 Ų | 139.9 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | trans | -50.9 | 118.3 | 171.4 | -21.1 | 30.5 | 0 | 0 | 0 | 106.6 | S181 | P179-S181 PolarHBondContact O-N 2.74Š| ||
| 180 | Q | 45.5 | Very low | 54.7 | Low | 181 Ų | 181 | 134.4 Ų | 134.4 | 85% | 0.846 | 67% | 0.671 | S | S | * | * | trans | -44.2 | 122.3 | 173.5 | -94.7 | 154.8 | -49 | 0 | 0 | 106.5 | L178 V182 | L178-Q180 PolarHBondContact O-N 2.64Å; Q180-V182 PolarHBondContact O-N 2.8Å | ||
| 181 | S | 42.3 | Very low | 57.1 | Low | 91 Ų | 91 | 126.8 Ų | 126.8 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | trans | -41.7 | 130 | 178.2 | 46.9 | 0 | 0 | 0 | 0 | 108.1 | P179 F183 | P179-S181 PolarHBondContact O-N 2.74Å; S181-F183 PolarHBondContact O-N 3.01Å | ||
| 182 | V | 47.8 | Very low | 59.4 | Low | 138 Ų | 138 | 119.1 Ų | 119.1 | 84% | 0.836 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -65.2 | 15.3 | 175.8 | -157.1 | 0 | 0 | 0 | 0 | 111.6 | Q180 T184 | Q180-V182 PolarHBondContact O-N 2.8Å; V182-T184 PolarHBondContact O-N 3.18Å |
| 183 | F | 51.1 | Low | 61.9 | Low | 91 Ų | 91 | 110.5 Ų | 110.5 | 40% | 0.399 | 56% | 0.561 | S | S | . | * | trans | -90.6 | 78 | 170.4 | -109 | -90 | 0 | 0 | 0 | 108.2 | Y117 S181 I185 | Y117-F183 HydrophobicContact CD1-CE2 4.48Å; Y117-F183 AromaticContact CD1-CZ 3.82Å; Y117-F183 HydrophobicContact CD1-CZ 3.82Å; Y117-F183 HydrophobicContact CD2-CZ 4.26Å; Y117-F183 AromaticContact CE1-CE1 4Å; Y117-F183 HydrophobicContact CE1-CE1 4Å; Y117-F183 AromaticContact CE1-CE2 3.87Å; Y117-F183 HydrophobicContact CE1-CE2 3.87Å; Y117-F183 AromaticContact CE1-CZ 3.17Å; Y117-F183 HydrophobicContact CE1-CZ 3.17Å; Y117-F183 AromaticContact CE2-CE1 3.82Å; Y117-F183 HydrophobicContact CE2-CE1 3.82Å; Y117-F183 AromaticContact CE2-CZ 3.72Å; Y117-F183 HydrophobicContact CE2-CZ 3.72Å; Y117-F183 HydrophobicContact CG-CZ 4.29Å; Y117-F183 AromaticContact CZ-CE1 3.4Å; Y117-F183 VanDerWaalsContact CZ-CE1 3.4Å; Y117-F183 AromaticContact CZ-CZ 3.08Å; Y117-F183 WeakPolarHBondContact OH-CE1 3.5Å; Y117-F183 VanDerWaalsContact OH-CZ 3.23Å; Y117-F183 WeakPolarHBondContact OH-CZ 3.43Å; S181-F183 PolarHBondContact O-N 3.01Å; F183-I185 PolarHBondContact O-N 3.41Å | ||
| 184 | T | 58.4 | Low | 64.2 | Low | 108 Ų | 108 | 103.4 Ų | 103.4 | 66% | 0.663 | 53% | 0.528 | S | S | * | . | trans | -68 | 105.1 | 161.1 | -51.9 | 0 | 0 | 0 | 0 | 106.1 | V182 | V182-T184 PolarHBondContact O-N 3.18Š| ||
| 185 | I | 64.9 | Low | 66.9 | Low | 68 Ų | 68 | 92.8 Ų | 92.8 | 35% | 0.349 | 49% | 0.488 | S | S | . | . | trans | -68.9 | 127.6 | 179.1 | -51.9 | 168.9 | 0 | 0 | 0 | 106.7 | F183 L189 R216 | F183-I185 PolarHBondContact O-N 3.41Å; I185-L189 HydrophobicContact CG2-CB 4.28Å; I185-R216 VanDerWaalsContact CG2-NE 3.33Å | ||
| 186 | P | 72.6 | Confident | 69.1 | Low | 29 Ų | 29 | 83.6 Ų | 83.6 | 19% | 0.188 | 46% | 0.456 | C | S | . | . | trans | -50.7 | 135 | -175.5 | -26.2 | 31.6 | 0 | 0 | 0 | 110.8 | E188 L189 | P186-E188 WeakPolarHBondContact CB-OE2 3.26Å; P186-E188 PolarHBondContact O-N 3.41Å; P186-E188 VanDerWaalsContact O-N 3.09Å; P186-L189 HydrophobicContact CB-CD1 4.48Å; P186-L189 HydrophobicContact CB-CG 4.28Å; P186-L189 HydrophobicContact CG-CD1 4.15Å; P186-L189 HydrophobicContact CG-CG 4.49Å; P186-L189 PolarHBondContact O-N 3.07Å | ||
| 187 | P | 72.8 | Confident | 71.7 | Confident | 105 Ų | 105 | 79.6 Ų | 79.6 | 68% | 0.682 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.2 | -177.1 | 24.7 | -32.9 | 0 | 0 | 0 | 112.2 | L189 | P187-L189 VanDerWaalsContact C-N 3.29Å; P187-L189 PolarHBondContact O-N 3.03Å |
| 188 | E | 78.8 | Confident | 73.7 | Confident | 119 Ų | 119 | 76.7 Ų | 76.7 | 56% | 0.556 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -17.4 | 176.3 | -49.7 | 76.8 | -166.5 | 0 | 0 | 113.2 | P186 D190 S218 | P186-E188 WeakPolarHBondContact CB-OE2 3.26Å; P186-E188 PolarHBondContact O-N 3.41Å; P186-E188 VanDerWaalsContact O-N 3.09Å; E188-D190 VanDerWaalsContact C-N 3.28Å; E188-D190 PolarHBondContact O-N 3.42Å; E188-S218 WeakPolarHBondContact O-CA 3.48Å; E188-S218 WeakPolarHBondContact O-CB 3.36Å; E188-S218 PolarHBondContact O-OG 2.89Å |
| 189 | L | 83.4 | Confident | 76 | Confident | 38 Ų | 38 | 71 Ų | 71 | 20% | 0.199 | 40% | 0.401 | C | S | . | . | trans | -95.2 | 43.9 | 177.3 | -59.9 | -176.2 | 0 | 0 | 0 | 111.1 | I185 P186 P187 V191 R216 V217 | I185-L189 HydrophobicContact CG2-CB 4.28Å; P186-L189 HydrophobicContact CB-CD1 4.48Å; P186-L189 HydrophobicContact CB-CG 4.28Å; P186-L189 HydrophobicContact CG-CD1 4.15Å; P186-L189 HydrophobicContact CG-CG 4.49Å; P186-L189 PolarHBondContact O-N 3.07Å; P187-L189 VanDerWaalsContact C-N 3.29Å; P187-L189 PolarHBondContact O-N 3.03Å; L189-V191 VanDerWaalsContact C-N 3.27Å; L189-V191 PolarHBondContact O-N 3.23Å; L189-R216 HydrophobicContact CB-CB 4.43Å; L189-R216 PolarHBondContact O-NE 2.85Å; L189-R216 PolarHBondContact O-NH2 3.36Å; L189-V217 CarbonylContact C-O 3.5Å; L189-V217 VanDerWaalsContact C-O 3.24Å; L189-V217 WeakPolarHBondContact CA-O 3.37Å | ||
| 190 | D | 84.8 | Confident | 78.2 | Confident | 73 Ų | 73 | 67 Ų | 67 | 39% | 0.39 | 38% | 0.379 | S | S | . | . | trans | -67.2 | -13.6 | -168.5 | 57.8 | -21.5 | 0 | 0 | 0 | 115.7 | E188 V217 G219 R258 | E188-D190 VanDerWaalsContact C-N 3.28Å; E188-D190 PolarHBondContact O-N 3.42Å; D190-V217 PolarHBondContact N-O 2.91Å; D190-G219 PolarHBondContact OD1-N 2.96Å; D190-R258 IonicContact OD2-CZ 3.93Å; D190-R258 IonicContact OD2-NH2 2.88Å; D190-R258 PolarHBondContact OD2-NH2 3.01Å | ||
| 191 | V | 90.8 | Very high | 80.5 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.3 | -179.9 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | L189 L193 R216 V217 G219 L257 | L189-V191 VanDerWaalsContact C-N 3.27Å; L189-V191 PolarHBondContact O-N 3.23Å; V191-L193 HydrophobicContact CG1-CD2 3.62Å; V191-L193 HydrophobicContact CG1-CG 4.35Å; V191-R216 WeakPolarHBondContact O-CA 3.5Å; V191-V217 PolarHBondContact N-O 3.47Å; V191-V217 PolarHBondContact O-N 2.97Å; V191-G219 VanDerWaalsContact CG2-CA 3.47Å; V191-L257 HydrophobicContact CG1-CB 4.33Å; V191-L257 HydrophobicContact CG1-CD1 4.49Å |
| 192 | S | 93.3 | Very high | 82.5 | Confident | 35 Ų | 35 | 67.4 Ų | 67.4 | 25% | 0.245 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 126.1 | 172.3 | -58.2 | 0 | 0 | 0 | 0 | 109.8 | R216 L274 | S192-R216 WeakPolarHBondContact OG-CG 3.37Å; S192-L274 PolarHBondContact O-N 3.01Å |
| 193 | L | 95.1 | Very high | 84.1 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 144.9 | -179.9 | -53.7 | -177.7 | 0 | 0 | 0 | 110.8 | V191 L195 Y214 V215 V217 V226 L257 L274 L276 | V191-L193 HydrophobicContact CG1-CD2 3.62Å; V191-L193 HydrophobicContact CG1-CG 4.35Å; L193-L195 HydrophobicContact CB-CD2 4.44Å; L193-Y214 VanDerWaalsContact O-CA 3.29Å; L193-Y214 WeakPolarHBondContact O-CA 3.46Å; L193-V215 HydrophobicContact CB-CB 4.33Å; L193-V215 PolarHBondContact N-O 2.96Å; L193-V215 PolarHBondContact O-N 3.14Å; L193-V217 HydrophobicContact CD1-CG1 3.73Å; L193-V217 HydrophobicContact CG-CG1 3.99Å; L193-V226 HydrophobicContact CD1-CG2 3.99Å; L193-L257 HydrophobicContact CD1-CD1 3.89Å; L193-L257 HydrophobicContact CD1-CD2 4.35Å; L193-L257 HydrophobicContact CD2-CD1 4.13Å; L193-L257 HydrophobicContact CD2-CD2 4Å; L193-L257 HydrophobicContact CG-CD1 4.41Å; L193-L274 WeakPolarHBondContact CA-O 3.38Å; L193-L274 HydrophobicContact CD2-CB 3.89Å; L193-L274 HydrophobicContact CD2-CD2 3.69Å; L193-L274 HydrophobicContact CD2-CG 4.12Å; L193-L276 HydrophobicContact CD1-CD1 4.3Å; L193-L276 HydrophobicContact CD2-CD1 4.14Å |
| 194 | Q | 95.6 | Very high | 85.9 | Confident | 25 Ų | 25 | 60 Ų | 60 | 12% | 0.117 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 118.3 | 161.6 | 174.1 | 171.1 | -9.8 | 0 | 0 | 108.6 | E196 Y214 I273 L274 V275 L276 | Q194-E196 HydrophobicContact CG-CG 4.13Å; Q194-E196 PolarHBondContact NE2-OE1 3.08Å; Q194-Y214 HydrophobicContact CB-CD1 4.03Å; Q194-Y214 HydrophobicContact CB-CE1 3.86Å; Q194-Y214 HydrophobicContact CG-CD1 4.34Å; Q194-Y214 HydrophobicContact CG-CE1 3.82Å; Q194-I273 HydrophobicContact CB-CG2 3.72Å; Q194-L274 PolarHBondContact N-O 3.08Å; Q194-V275 HydrophobicContact CB-CG2 4.42Å; Q194-L276 PolarHBondContact O-N 3.23Å |
| 195 | L | 96.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 115.5 | -178.2 | -57.3 | 179.8 | 0 | 0 | 0 | 110 | L193 L210 R213 V215 V226 F229 I230 L276 F278 | L193-L195 HydrophobicContact CB-CD2 4.44Å; L195-L210 HydrophobicContact CB-CD2 3.92Å; L195-L210 HydrophobicContact CD1-CD2 3.97Å; L195-R213 PolarHBondContact N-O 2.86Å; L195-R213 WeakPolarHBondContact O-CB 3.18Å; L195-R213 WeakPolarHBondContact O-CG 3.39Å; L195-V215 HydrophobicContact CD1-CG2 4.02Å; L195-V226 HydrophobicContact CD2-CG1 3.8Å; L195-F229 HydrophobicContact CD1-CD1 3.93Å; L195-F229 HydrophobicContact CD1-CE1 3.79Å; L195-I230 HydrophobicContact CD1-CD1 4.38Å; L195-I230 HydrophobicContact CD1-CG1 4.08Å; L195-L276 CarbonylContact C-O 3.6Å; L195-L276 WeakPolarHBondContact CA-O 3.26Å; L195-L276 HydrophobicContact CD2-CB 4.03Å; L195-L276 HydrophobicContact CD2-CD1 4.27Å; L195-F278 HydrophobicContact CB-CD1 4.22Å; L195-F278 HydrophobicContact CB-CE1 3.99Å |
| 196 | E | 94.9 | Very high | 87.8 | Confident | 57 Ų | 57 | 65.8 Ų | 65.8 | 27% | 0.266 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 120.5 | -179.2 | -59.3 | -150.5 | 159.3 | 0 | 0 | 111.3 | Q194 V198 V275 L276 H277 F278 | Q194-E196 HydrophobicContact CG-CG 4.13Å; Q194-E196 PolarHBondContact NE2-OE1 3.08Å; E196-V198 PolarHBondContact O-N 3.3Å; E196-V275 HydrophobicContact CG-CG1 4.13Å; E196-L276 PolarHBondContact N-O 3.29Å; E196-H277 CarbonylContact O-C 3.58Å; E196-H277 WeakPolarHBondContact O-CA 3.26Å; E196-H277 IonicContact OE2-CD2 3.79Å; E196-H277 IonicContact OE2-NE2 3.3Å; E196-H277 PolarHBondContact OE2-NE2 3.38Å; E196-F278 VanDerWaalsContact O-CD1 3.28Å; E196-F278 WeakPolarHBondContact O-CD1 3.49Å; E196-F278 PolarHBondContact O-N 3.05Å |
| 197 | F | 95.6 | Very high | 88.7 | Confident | 73 Ų | 73 | 67.9 Ų | 67.9 | 32% | 0.32 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 118.7 | 178.3 | -179 | -123.5 | 0 | 0 | 0 | 110.2 | G199 A200 Y207 F278 L280 | F197-G199 VanDerWaalsContact CE2-C 3.44Å; F197-G199 WeakPolarHBondContact CE2-O 3.33Å; F197-G199 WeakPolarHBondContact CZ-O 3.45Å; F197-A200 HydrophobicContact CZ-CB 4.16Å; F197-Y207 AromaticContact CE1-CE2 3.97Å; F197-Y207 HydrophobicContact CE1-CE2 3.97Å; F197-Y207 AromaticContact CZ-CE2 3.86Å; F197-Y207 HydrophobicContact CZ-CE2 3.86Å; F197-Y207 AromaticContact CZ-CZ 3.77Å; F197-Y207 WeakPolarHBondContact CZ-OH 3.23Å; F197-F278 HydrophobicContact CB-CE1 3.95Å; F197-F278 HydrophobicContact CB-CE2 4.2Å; F197-F278 HydrophobicContact CB-CZ 3.66Å; F197-F278 AromaticContact CD2-CD2 3.93Å; F197-F278 HydrophobicContact CD2-CD2 3.93Å; F197-F278 AromaticContact CD2-CE2 3.41Å; F197-F278 HydrophobicContact CD2-CE2 3.41Å; F197-F278 VanDerWaalsContact CD2-CE2 3.41Å; F197-F278 AromaticContact CD2-CZ 3.79Å; F197-F278 HydrophobicContact CD2-CZ 3.79Å; F197-F278 HydrophobicContact CE2-CE2 4.19Å; F197-F278 HydrophobicContact CG-CE2 4.19Å; F197-F278 HydrophobicContact CG-CZ 4.11Å; F197-L280 HydrophobicContact CE2-CD1 4.4Å; F197-L280 HydrophobicContact CE2-CG 3.97Å |
| 198 | V | 93.4 | Very high | 89.6 | Confident | 104 Ų | 104 | 68 Ų | 68 | 63% | 0.63 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -29.8 | -177.5 | -170.3 | 0 | 0 | 0 | 0 | 111.9 | E196 H277 F278 | E196-V198 PolarHBondContact O-N 3.3Å; V198-H277 HydrophobicContact CG2-CB 3.62Å; V198-F278 PolarHBondContact N-O 3.27Å |
| 199 | G | 92.4 | Very high | 90.1 | Very high | 28 Ų | 28 | 67.2 Ų | 67.2 | 29% | 0.289 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.4 | 178.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F197 G279 L280 | F197-G199 VanDerWaalsContact CE2-C 3.44Å; F197-G199 WeakPolarHBondContact CE2-O 3.33Å; F197-G199 WeakPolarHBondContact CZ-O 3.45Å; G199-G279 VanDerWaalsContact O-CA 3.28Å; G199-G279 WeakPolarHBondContact O-CA 3.5Å; G199-L280 PolarHBondContact O-N 3.11Å |
| 200 | A | 93 | Very high | 90.5 | Very high | 36 Ų | 36 | 66.4 Ų | 66.4 | 30% | 0.298 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | F197 I204 Y207 L280 | F197-A200 HydrophobicContact CZ-CB 4.16Å; A200-I204 HydrophobicContact CB-CB 4.11Å; A200-I204 HydrophobicContact CB-CG2 4.22Å; A200-Y207 HydrophobicContact CB-CE1 3.78Å; A200-L280 WeakPolarHBondContact CA-O 3.35Å; A200-L280 HydrophobicContact CB-CB 3.83Å; A200-L280 HydrophobicContact CB-CD1 4.11Å; A200-L280 HydrophobicContact CB-CG 4.21Å |
| 201 | E | 92 | Very high | 90.6 | Very high | 95 Ų | 95 | 71 Ų | 71 | 44% | 0.444 | 39% | 0.385 | S | S | . | . | trans | -61.7 | 151.2 | 173.6 | -167.9 | 177.9 | 174.7 | 0 | 0 | 111.6 | G203 I204 L280 V281 L282 | E201-G203 PolarHBondContact O-N 3.22Å; E201-I204 HydrophobicContact CB-CD1 4.19Å; E201-I204 PolarHBondContact O-N 3.34Å; E201-I204 VanDerWaalsContact O-N 3.13Å; E201-L280 PolarHBondContact N-O 3.15Å; E201-V281 WeakPolarHBondContact OE2-CA 3.42Å; E201-L282 PolarHBondContact OE2-N 2.85Å | ||
| 202 | E | 84.9 | Confident | 90.5 | Very high | 186 Ų | 186 | 79.5 Ų | 79.5 | 87% | 0.869 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 122.8 | -179.4 | -163.9 | 170 | -164.3 | 0 | 0 | 110.8 | ||
| 203 | G | 82.7 | Confident | 90.5 | Very high | 54 Ų | 54 | 84.4 Ų | 84.4 | 56% | 0.557 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.5 | -11.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | E201 | E201-G203 PolarHBondContact O-N 3.22Š|
| 204 | I | 87 | Confident | 90.5 | Very high | 18 Ų | 18 | 91.1 Ų | 91.1 | 9% | 0.092 | 46% | 0.456 | C | S | . | . | trans | -95 | 96.3 | 174.8 | -56.4 | 174.4 | 0 | 0 | 0 | 109.4 | A200 E201 Y207 L280 L282 | A200-I204 HydrophobicContact CB-CB 4.11Å; A200-I204 HydrophobicContact CB-CG2 4.22Å; E201-I204 HydrophobicContact CB-CD1 4.19Å; E201-I204 PolarHBondContact O-N 3.34Å; E201-I204 VanDerWaalsContact O-N 3.13Å; I204-Y207 HydrophobicContact CG2-CD1 3.77Å; I204-Y207 HydrophobicContact CG2-CE1 4.01Å; I204-Y207 WeakPolarHBondContact O-CE1 3.43Å; I204-L280 HydrophobicContact CD1-CB 3.75Å; I204-L280 HydrophobicContact CG2-CB 4.27Å; I204-L280 HydrophobicContact CG2-CD1 3.89Å; I204-L282 HydrophobicContact CD1-CD2 4.11Å; I204-L282 HydrophobicContact CD1-CG 4.11Å; I204-L282 HydrophobicContact CG1-CD2 3.78Å; I204-L282 HydrophobicContact CG1-CG 4.01Å | ||
| 205 | N | 79.6 | Confident | 90.3 | Very high | 144 Ų | 144 | 91.4 Ų | 91.4 | 77% | 0.77 | 46% | 0.46 | S | S | * | . | trans | -119.7 | -1 | -170.7 | -62.5 | -38.4 | 0 | 0 | 0 | 115.1 | ||||
| 206 | N | 84.9 | Confident | 90.1 | Very high | 155 Ų | 155 | 95.9 Ų | 95.9 | 83% | 0.829 | 48% | 0.477 | S | S | * | . | trans | -129.2 | 69.3 | -170.9 | -161.1 | 61.8 | 0 | 0 | 0 | 112.3 | ||||
| 207 | Y | 90.9 | Very high | 90.1 | Very high | 72 Ų | 72 | 94.7 Ų | 94.7 | 28% | 0.282 | 47% | 0.473 | S | S | . | . | trans | -132.7 | 151.6 | 174.8 | 57.1 | -92.4 | 0 | 0 | 0 | 111.3 | F197 A200 I204 M234 L236 L280 | F197-Y207 AromaticContact CE1-CE2 3.97Å; F197-Y207 HydrophobicContact CE1-CE2 3.97Å; F197-Y207 AromaticContact CZ-CE2 3.86Å; F197-Y207 HydrophobicContact CZ-CE2 3.86Å; F197-Y207 AromaticContact CZ-CZ 3.77Å; F197-Y207 WeakPolarHBondContact CZ-OH 3.23Å; A200-Y207 HydrophobicContact CB-CE1 3.78Å; I204-Y207 HydrophobicContact CG2-CD1 3.77Å; I204-Y207 HydrophobicContact CG2-CE1 4.01Å; I204-Y207 WeakPolarHBondContact O-CE1 3.43Å; Y207-M234 HydrophobicContact CD2-CE 3.38Å; Y207-M234 HydrophobicContact CE2-CE 3.89Å; Y207-M234 HydrophobicContact CG-CE 4.21Å; Y207-L236 HydrophobicContact CG-CD2 4.25Å; Y207-L280 HydrophobicContact CD1-CD1 3.63Å; Y207-L280 HydrophobicContact CD2-CD1 4.24Å; Y207-L280 HydrophobicContact CE1-CD1 3.86Å; Y207-L280 HydrophobicContact CE2-CD1 4.44Å; Y207-L280 HydrophobicContact CG-CD1 3.82Å | ||
| 208 | K | 91.8 | Very high | 90 | Very high | 107 Ų | 107 | 92.8 Ų | 92.8 | 47% | 0.465 | 47% | 0.469 | S | S | . | . | trans | -85.3 | 136.7 | 173.3 | -69.5 | -174.6 | -178.1 | 166 | 0 | 110.2 | M234 E235 | K208-M234 PolarHBondContact N-O 3.05Å; K208-M234 WeakPolarHBondContact O-CA 3.32Å; K208-M234 VanDerWaalsContact O-CB 3.26Å; K208-M234 WeakPolarHBondContact O-CB 3.31Å; K208-M234 WeakPolarHBondContact O-CE 3.29Å; K208-M234 VanDerWaalsContact O-CG 3.26Å; K208-M234 WeakPolarHBondContact O-CG 3.34Å; K208-E235 HydrophobicContact CD-CG 4.37Å; K208-E235 WeakPolarHBondContact CD-OE1 3.42Å; K208-E235 WeakPolarHBondContact CD-OE2 3.4Å; K208-E235 WeakPolarHBondContact CE-OE1 3.31Å; K208-E235 WeakPolarHBondContact CE-OE2 3.25Å; K208-E235 IonicContact NZ-OE1 2.72Å; K208-E235 PolarHBondContact NZ-OE1 3.2Å; K208-E235 IonicContact NZ-OE2 2.81Å; K208-E235 PolarHBondContact NZ-OE2 3.03Å | ||
| 209 | P | 89.9 | Confident | 90 | Very high | 103 Ų | 103 | 87.9 Ų | 87.9 | 67% | 0.669 | 44% | 0.439 | S | S | * | . | trans | -58.8 | 143.4 | 172.8 | -24.5 | 34.3 | 0 | 0 | 0 | 112 | E211 | P209-E211 PolarHBondContact O-N 3.31Å; P209-E211 VanDerWaalsContact O-N 3.08Å | ||
| 210 | L | 91.8 | Very high | 90.1 | Very high | 21 Ų | 21 | 92 Ų | 92 | 11% | 0.11 | 45% | 0.451 | C | S | . | . | trans | -73 | 101.3 | 174.7 | -173.6 | 67.4 | 0 | 0 | 0 | 110.4 | L195 R212 F229 K233 M234 F278 | L195-L210 HydrophobicContact CB-CD2 3.92Å; L195-L210 HydrophobicContact CD1-CD2 3.97Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 WeakPolarHBondContact CG-O 3.26Å; L210-R212 PolarHBondContact O-N 2.83Å; L210-F229 HydrophobicContact CD1-CE1 4.32Å; L210-K233 HydrophobicContact CD1-CB 3.66Å; L210-K233 HydrophobicContact CD1-CG 4.35Å; L210-M234 HydrophobicContact CB-CG 4.1Å; L210-M234 HydrophobicContact CB-SD 4.12Å; L210-M234 HydrophobicContact CD1-CG 4.44Å; L210-F278 HydrophobicContact CD2-CE1 4.1Å; L210-F278 HydrophobicContact CD2-CZ 4.12Å | ||
| 211 | E | 86.3 | Confident | 90.2 | Very high | 170 Ų | 170 | 90.9 Ų | 90.9 | 79% | 0.794 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -65.5 | -31.1 | -177.5 | -63.4 | -179.7 | 172.5 | 0 | 0 | 113.9 | P209 | P209-E211 PolarHBondContact O-N 3.31Å; P209-E211 VanDerWaalsContact O-N 3.08Å |
| 212 | R | 89.4 | Confident | 90.5 | Very high | 180 Ų | 180 | 87.7 Ų | 87.7 | 68% | 0.679 | 43% | 0.429 | S | S | * | . | trans | -122.1 | 106.9 | -178.4 | -69.4 | -178.4 | 179.5 | 77.7 | -2.5 | 109.7 | L210 | L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 WeakPolarHBondContact CG-O 3.26Å; L210-R212 PolarHBondContact O-N 2.83Å | ||
| 213 | R | 92.3 | Very high | 91.1 | Very high | 138 Ų | 138 | 78.9 Ų | 78.9 | 52% | 0.521 | 39% | 0.388 | S | S | . | . | trans | -85.4 | -18.6 | -177 | -61.7 | -176.8 | -170.1 | -171.7 | 0.1 | 113.5 | L195 | L195-R213 PolarHBondContact N-O 2.86Å; L195-R213 WeakPolarHBondContact O-CB 3.18Å; L195-R213 WeakPolarHBondContact O-CG 3.39Å | ||
| 214 | Y | 94.6 | Very high | 91.7 | Very high | 147 Ų | 147 | 80.9 Ų | 80.9 | 58% | 0.576 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131.2 | -179.1 | -60.4 | -83.8 | 0 | 0 | 0 | 111.5 | L193 Q194 I273 | L193-Y214 VanDerWaalsContact O-CA 3.29Å; L193-Y214 WeakPolarHBondContact O-CA 3.46Å; Q194-Y214 HydrophobicContact CB-CD1 4.03Å; Q194-Y214 HydrophobicContact CB-CE1 3.86Å; Q194-Y214 HydrophobicContact CG-CD1 4.34Å; Q194-Y214 HydrophobicContact CG-CE1 3.82Å; Y214-I273 HydrophobicContact CE1-CD1 4.34Å |
| 215 | V | 93.1 | Very high | 92.2 | Very high | 31 Ų | 31 | 84.6 Ų | 84.6 | 19% | 0.188 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 132.9 | -178.9 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | L193 L195 V217 F229 | L193-V215 HydrophobicContact CB-CB 4.33Å; L193-V215 PolarHBondContact N-O 2.96Å; L193-V215 PolarHBondContact O-N 3.14Å; L195-V215 HydrophobicContact CD1-CG2 4.02Å; V215-V217 HydrophobicContact CG1-CB 4.42Å; V215-F229 HydrophobicContact CG2-CD1 4.37Å; V215-F229 HydrophobicContact CG2-CE1 3.59Å; V215-F229 HydrophobicContact CG2-CZ 3.66Å |
| 216 | R | 91.9 | Very high | 93.1 | Very high | 95 Ų | 95 | 78.1 Ų | 78.1 | 36% | 0.358 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.7 | 164 | -82.8 | -162.9 | 62.6 | 166.5 | -11.3 | 110.6 | I185 L189 V191 S192 | I185-R216 VanDerWaalsContact CG2-NE 3.33Å; L189-R216 HydrophobicContact CB-CB 4.43Å; L189-R216 PolarHBondContact O-NE 2.85Å; L189-R216 PolarHBondContact O-NH2 3.36Å; V191-R216 WeakPolarHBondContact O-CA 3.5Å; S192-R216 WeakPolarHBondContact OG-CG 3.37Å |
| 217 | V | 94 | Very high | 93.6 | Very high | 31 Ų | 31 | 72.4 Ų | 72.4 | 19% | 0.188 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 162.5 | -171.6 | 65.5 | 0 | 0 | 0 | 0 | 109.4 | L189 D190 V191 L193 V215 A221 L257 | L189-V217 CarbonylContact C-O 3.5Å; L189-V217 VanDerWaalsContact C-O 3.24Å; L189-V217 WeakPolarHBondContact CA-O 3.37Å; D190-V217 PolarHBondContact N-O 2.91Å; V191-V217 PolarHBondContact N-O 3.47Å; V191-V217 PolarHBondContact O-N 2.97Å; L193-V217 HydrophobicContact CD1-CG1 3.73Å; L193-V217 HydrophobicContact CG-CG1 3.99Å; V215-V217 HydrophobicContact CG1-CB 4.42Å; V217-A221 HydrophobicContact CG2-CB 3.53Å; V217-L257 HydrophobicContact CG1-CD1 3.29Å |
| 218 | S | 94.9 | Very high | 93.8 | Very high | 34 Ų | 34 | 72.6 Ų | 72.6 | 24% | 0.238 | 34% | 0.335 | C | S | . | . | trans | -66.7 | 141.1 | 172.1 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | E188 E220 A221 | E188-S218 WeakPolarHBondContact O-CA 3.48Å; E188-S218 WeakPolarHBondContact O-CB 3.36Å; E188-S218 PolarHBondContact O-OG 2.89Å; S218-E220 PolarHBondContact O-N 3.42Å; S218-E220 PolarHBondContact OG-N 3.33Å; S218-A221 VanDerWaalsContact O-CB 3.25Å; S218-A221 WeakPolarHBondContact O-CB 3.25Å; S218-A221 PolarHBondContact O-N 3.44Å | ||
| 219 | G | 92.7 | Very high | 94 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D190 V191 A221 L257 R258 | D190-G219 PolarHBondContact OD1-N 2.96Å; V191-G219 VanDerWaalsContact CG2-CA 3.47Å; G219-A221 VanDerWaalsContact C-N 3.28Å; G219-L257 PolarHBondContact O-N 3.4Å; G219-R258 PolarHBondContact O-N 2.82Å |
| 220 | E | 94.4 | Very high | 94.3 | Very high | 115 Ų | 115 | 65.7 Ų | 65.7 | 54% | 0.537 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -11.8 | 174.4 | -55.4 | -57.4 | 143.7 | 0 | 0 | 112.9 | S218 T222 R258 | S218-E220 PolarHBondContact O-N 3.42Å; S218-E220 PolarHBondContact OG-N 3.33Å; E220-T222 PolarHBondContact O-N 2.82Å; E220-R258 IonicContact OE1-CZ 3.35Å; E220-R258 IonicContact OE1-NH1 2.73Å; E220-R258 PolarHBondContact OE1-NH1 2.77Å; E220-R258 IonicContact OE1-NH2 3.73Å |
| 221 | A | 96.3 | Very high | 94.4 | Very high | 13 Ų | 13 | 67.7 Ų | 67.7 | 11% | 0.107 | 30% | 0.3 | C | S | . | . | trans | -67.9 | 133 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | V217 S218 G219 H225 L257 | V217-A221 HydrophobicContact CG2-CB 3.53Å; S218-A221 VanDerWaalsContact O-CB 3.25Å; S218-A221 WeakPolarHBondContact O-CB 3.25Å; S218-A221 PolarHBondContact O-N 3.44Å; G219-A221 VanDerWaalsContact C-N 3.28Å; A221-H225 HydrophobicContact CB-CB 4.35Å; A221-L257 HydrophobicContact CB-CD1 4.15Å; A221-L257 VanDerWaalsContact O-CG 3.25Å; A221-L257 WeakPolarHBondContact O-CG 3.39Å; A221-L257 PolarHBondContact O-N 3.17Å | ||
| 222 | T | 97.5 | Very high | 94.7 | Very high | 28 Ų | 28 | 70 Ų | 70 | 17% | 0.172 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -82.6 | 165 | 174.6 | 70 | 0 | 0 | 0 | 0 | 114.4 | E220 R224 H225 V226 R253 Y254 Q255 | E220-T222 PolarHBondContact O-N 2.82Å; T222-R224 PolarHBondContact O-N 2.99Å; T222-H225 PolarHBondContact N-ND1 3.38Å; T222-H225 WeakPolarHBondContact O-CB 3.28Å; T222-H225 PolarHBondContact O-N 3.24Å; T222-H225 PolarHBondContact OG1-ND1 3.25Å; T222-V226 PolarHBondContact O-N 2.85Å; T222-R253 WeakPolarHBondContact CB-O 3.15Å; T222-R253 PolarHBondContact OG1-O 3.19Å; T222-Y254 WeakPolarHBondContact CG2-O 3.36Å; T222-Q255 CarbonylContact C-O 3.6Å; T222-Q255 WeakPolarHBondContact CA-O 3.22Å; T222-Q255 VanDerWaalsContact CB-O 3.28Å; T222-Q255 WeakPolarHBondContact CB-O 3.43Å |
| 223 | V | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -52.5 | -37.8 | 171.9 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | H225 V226 E227 V244 L251 D252 Q255 V260 | V223-H225 PolarHBondContact O-N 3.32Å; V223-V226 WeakPolarHBondContact O-CA 3.33Å; V223-V226 VanDerWaalsContact O-CB 3.31Å; V223-V226 WeakPolarHBondContact O-CB 3.42Å; V223-V226 PolarHBondContact O-N 3.21Å; V223-E227 PolarHBondContact O-N 3.12Å; V223-V244 HydrophobicContact CG1-CB 3.98Å; V223-V244 HydrophobicContact CG1-CG2 4.18Å; V223-L251 HydrophobicContact CG1-CB 4.1Å; V223-L251 HydrophobicContact CG2-CB 3.81Å; V223-L251 HydrophobicContact CG2-CD1 4.01Å; V223-D252 WeakPolarHBondContact CB-O 3.42Å; V223-D252 WeakPolarHBondContact CG2-O 3.34Å; V223-Q255 HydrophobicContact CG2-CB 4.27Å; V223-Q255 PolarHBondContact N-O 2.9Å; V223-V260 HydrophobicContact CG2-CG2 4.21Å |
| 224 | R | 96.6 | Very high | 95 | Very high | 96 Ų | 96 | 60.8 Ų | 60.8 | 36% | 0.362 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -54.6 | -37 | 172.1 | -178.2 | 178.7 | 176.4 | -83.3 | -2 | 113.4 | T222 V226 L228 R253 | T222-R224 PolarHBondContact O-N 2.99Å; R224-V226 VanDerWaalsContact C-N 3.32Å; R224-L228 HydrophobicContact CG-CD1 4.28Å; R224-L228 WeakPolarHBondContact O-CB 3.47Å; R224-L228 VanDerWaalsContact O-CG 3.25Å; R224-L228 WeakPolarHBondContact O-CG 3.45Å; R224-L228 PolarHBondContact O-N 3.21Å; R224-R253 HydrophobicContact CB-CB 4.2Å; R224-R253 WeakPolarHBondContact CB-O 3.28Å; R224-R253 PolarHBondContact N-O 3.41Å |
| 225 | H | 97.3 | Very high | 95 | Very high | 96 Ų | 96 | 59.3 Ų | 59.3 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.7 | -35.2 | 176.3 | -62.5 | 112.1 | 0 | 0 | 0 | 111.6 | A221 T222 V223 L228 F229 | A221-H225 HydrophobicContact CB-CB 4.35Å; T222-H225 PolarHBondContact N-ND1 3.38Å; T222-H225 WeakPolarHBondContact O-CB 3.28Å; T222-H225 PolarHBondContact O-N 3.24Å; T222-H225 PolarHBondContact OG1-ND1 3.25Å; V223-H225 PolarHBondContact O-N 3.32Å; H225-L228 PolarHBondContact O-N 3.31Å; H225-F229 WeakPolarHBondContact O-CB 3.09Å; H225-F229 PolarHBondContact O-N 3.08Å |
| 226 | V | 96.9 | Very high | 94.9 | Very high | 8 Ų | 8 | 58.9 Ų | 58.9 | 5% | 0.048 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65 | -46.9 | 173.9 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | L193 L195 T222 V223 R224 L228 F229 I230 L257 L276 | L193-V226 HydrophobicContact CD1-CG2 3.99Å; L195-V226 HydrophobicContact CD2-CG1 3.8Å; T222-V226 PolarHBondContact O-N 2.85Å; V223-V226 WeakPolarHBondContact O-CA 3.33Å; V223-V226 VanDerWaalsContact O-CB 3.31Å; V223-V226 WeakPolarHBondContact O-CB 3.42Å; V223-V226 PolarHBondContact O-N 3.21Å; R224-V226 VanDerWaalsContact C-N 3.32Å; V226-L228 PolarHBondContact O-N 3.03Å; V226-F229 WeakPolarHBondContact O-CB 3.2Å; V226-F229 PolarHBondContact O-N 2.99Å; V226-I230 HydrophobicContact CG1-CD1 3.87Å; V226-I230 HydrophobicContact CG1-CG1 4.49Å; V226-I230 WeakPolarHBondContact O-CG1 3.44Å; V226-I230 PolarHBondContact O-N 2.87Å; V226-L257 HydrophobicContact CG2-CD1 4.34Å; V226-L257 HydrophobicContact CG2-CD2 4.11Å; V226-L276 HydrophobicContact CG1-CD1 4.35Å; V226-L276 HydrophobicContact CG2-CD1 4.48Å |
| 227 | E | 96.2 | Very high | 94.7 | Very high | 34 Ų | 34 | 56.9 Ų | 56.9 | 16% | 0.159 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.1 | -50.8 | 173.3 | -66.5 | 166.9 | -156.4 | 0 | 0 | 111.1 | V223 F229 I230 R231 V242 V244 R253 | V223-E227 PolarHBondContact O-N 3.12Å; E227-F229 VanDerWaalsContact C-N 3.32Å; E227-F229 PolarHBondContact O-N 2.81Å; E227-I230 PolarHBondContact O-N 2.77Å; E227-R231 WeakPolarHBondContact O-CB 3.5Å; E227-R231 WeakPolarHBondContact O-CG 3.47Å; E227-R231 PolarHBondContact O-N 3Å; E227-V242 HydrophobicContact CB-CB 4.43Å; E227-V242 HydrophobicContact CG-CB 4.39Å; E227-V244 HydrophobicContact CG-CG2 4.09Å; E227-R253 WeakPolarHBondContact OE1-CB 3.39Å |
| 228 | L | 94.9 | Very high | 94.3 | Very high | 77 Ų | 77 | 61.2 Ų | 61.2 | 40% | 0.403 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 179.9 | -73.3 | 174.2 | 0 | 0 | 0 | 112.4 | R224 H225 V226 R232 | R224-L228 HydrophobicContact CG-CD1 4.28Å; R224-L228 WeakPolarHBondContact O-CB 3.47Å; R224-L228 VanDerWaalsContact O-CG 3.25Å; R224-L228 WeakPolarHBondContact O-CG 3.45Å; R224-L228 PolarHBondContact O-N 3.21Å; H225-L228 PolarHBondContact O-N 3.31Å; V226-L228 PolarHBondContact O-N 3.03Å; L228-R232 WeakPolarHBondContact O-CB 3.35Å; L228-R232 PolarHBondContact O-N 2.87Å |
| 229 | F | 95.9 | Very high | 93.9 | Very high | 65 Ų | 65 | 63.9 Ų | 63.9 | 29% | 0.285 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.7 | -50.5 | 174.8 | 171.2 | -95.8 | 0 | 0 | 0 | 111.1 | L195 L210 V215 H225 V226 E227 R231 R232 K233 | L195-F229 HydrophobicContact CD1-CD1 3.93Å; L195-F229 HydrophobicContact CD1-CE1 3.79Å; L210-F229 HydrophobicContact CD1-CE1 4.32Å; V215-F229 HydrophobicContact CG2-CD1 4.37Å; V215-F229 HydrophobicContact CG2-CE1 3.59Å; V215-F229 HydrophobicContact CG2-CZ 3.66Å; H225-F229 WeakPolarHBondContact O-CB 3.09Å; H225-F229 PolarHBondContact O-N 3.08Å; V226-F229 WeakPolarHBondContact O-CB 3.2Å; V226-F229 PolarHBondContact O-N 2.99Å; E227-F229 VanDerWaalsContact C-N 3.32Å; E227-F229 PolarHBondContact O-N 2.81Å; F229-R231 PolarHBondContact O-N 2.95Å; F229-R232 PolarHBondContact O-N 3.2Å; F229-K233 HydrophobicContact CD2-CG 4.13Å; F229-K233 HydrophobicContact CE1-CG 4.15Å; F229-K233 HydrophobicContact CE2-CD 4.42Å; F229-K233 HydrophobicContact CE2-CG 3.73Å; F229-K233 HydrophobicContact CZ-CG 3.74Å; F229-K233 WeakPolarHBondContact O-CB 3.16Å; F229-K233 WeakPolarHBondContact O-CG 3.23Å; F229-K233 PolarHBondContact O-N 3.46Å |
| 230 | I | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.3 | -49.5 | 178.5 | -68.4 | 165.3 | 0 | 0 | 0 | 109.9 | L195 V226 E227 R232 K233 M234 L236 V242 F278 | L195-I230 HydrophobicContact CD1-CD1 4.38Å; L195-I230 HydrophobicContact CD1-CG1 4.08Å; V226-I230 HydrophobicContact CG1-CD1 3.87Å; V226-I230 HydrophobicContact CG1-CG1 4.49Å; V226-I230 WeakPolarHBondContact O-CG1 3.44Å; V226-I230 PolarHBondContact O-N 2.87Å; E227-I230 PolarHBondContact O-N 2.77Å; I230-R232 VanDerWaalsContact C-N 3.31Å; I230-R232 PolarHBondContact O-N 3.23Å; I230-K233 PolarHBondContact O-N 2.84Å; I230-M234 HydrophobicContact CG2-CG 4.33Å; I230-M234 HydrophobicContact CG2-SD 3.72Å; I230-M234 WeakPolarHBondContact O-CB 3.28Å; I230-M234 PolarHBondContact O-N 2.97Å; I230-L236 HydrophobicContact CG2-CD1 4.43Å; I230-V242 HydrophobicContact CB-CG1 4.37Å; I230-V242 HydrophobicContact CD1-CG1 3.99Å; I230-V242 HydrophobicContact CG2-CG1 4.07Å; I230-V242 HydrophobicContact CG2-CG2 4.16Å; I230-F278 HydrophobicContact CD1-CB 4Å; I230-F278 HydrophobicContact CD1-CD1 3.93Å; I230-F278 HydrophobicContact CD1-CD2 3.98Å; I230-F278 HydrophobicContact CD1-CE1 4.4Å; I230-F278 HydrophobicContact CD1-CE2 4.44Å; I230-F278 HydrophobicContact CD1-CG 3.69Å; I230-F278 HydrophobicContact CG2-CD2 3.82Å; I230-F278 HydrophobicContact CG2-CE2 3.58Å; I230-F278 HydrophobicContact CG2-CZ 4.2Å |
| 231 | R | 94.1 | Very high | 93.6 | Very high | 62 Ų | 62 | 62.8 Ų | 62.8 | 23% | 0.234 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.1 | -47 | 177.7 | -72.9 | 177.6 | 75.5 | 106.6 | 15.1 | 112.6 | E227 F229 E235 L236 S237 P238 C240 V242 | E227-R231 WeakPolarHBondContact O-CB 3.5Å; E227-R231 WeakPolarHBondContact O-CG 3.47Å; E227-R231 PolarHBondContact O-N 3Å; F229-R231 PolarHBondContact O-N 2.95Å; R231-E235 PolarHBondContact O-N 2.77Å; R231-E235 VanDerWaalsContact O-N 3.1Å; R231-L236 HydrophobicContact CB-CB 4.47Å; R231-L236 HydrophobicContact CB-CD1 4.43Å; R231-L236 HydrophobicContact CG-CB 4.46Å; R231-L236 HydrophobicContact CG-CD1 4.01Å; R231-L236 PolarHBondContact O-N 2.97Å; R231-S237 PolarHBondContact NH2-O 3.32Å; R231-P238 VanDerWaalsContact NH2-C 3.34Å; R231-P238 VanDerWaalsContact NH2-CA 3.29Å; R231-P238 PolarHBondContact NH2-O 3.28Å; R231-C240 PolarHBondContact NH1-O 2.96Å; R231-C240 PolarHBondContact NH2-O 2.87Å; R231-V242 HydrophobicContact CG-CG2 3.71Å |
| 232 | R | 93.5 | Very high | 93.6 | Very high | 218 Ų | 218 | 62.4 Ų | 62.4 | 82% | 0.823 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -70 | -38.7 | -179 | -171.8 | 171.5 | -175 | 128.3 | 1.2 | 112 | L228 F229 I230 | L228-R232 WeakPolarHBondContact O-CB 3.35Å; L228-R232 PolarHBondContact O-N 2.87Å; F229-R232 PolarHBondContact O-N 3.2Å; I230-R232 VanDerWaalsContact C-N 3.31Å; I230-R232 PolarHBondContact O-N 3.23Å |
| 233 | K | 93.6 | Very high | 93.5 | Very high | 125 Ų | 125 | 64 Ų | 64 | 54% | 0.543 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -76.8 | -32.1 | -178.1 | -75.7 | -64.9 | -176 | -177.7 | 0 | 113.7 | L210 F229 I230 | L210-K233 HydrophobicContact CD1-CB 3.66Å; L210-K233 HydrophobicContact CD1-CG 4.35Å; F229-K233 HydrophobicContact CD2-CG 4.13Å; F229-K233 HydrophobicContact CE1-CG 4.15Å; F229-K233 HydrophobicContact CE2-CD 4.42Å; F229-K233 HydrophobicContact CE2-CG 3.73Å; F229-K233 HydrophobicContact CZ-CG 3.74Å; F229-K233 WeakPolarHBondContact O-CB 3.16Å; F229-K233 WeakPolarHBondContact O-CG 3.23Å; F229-K233 PolarHBondContact O-N 3.46Å; I230-K233 PolarHBondContact O-N 2.84Å |
| 234 | M | 94.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 1.5 | 177.5 | -62.7 | -174.5 | 66 | 0 | 0 | 113.2 | Y207 K208 L210 I230 L236 F278 | Y207-M234 HydrophobicContact CD2-CE 3.38Å; Y207-M234 HydrophobicContact CE2-CE 3.89Å; Y207-M234 HydrophobicContact CG-CE 4.21Å; K208-M234 PolarHBondContact N-O 3.05Å; K208-M234 WeakPolarHBondContact O-CA 3.32Å; K208-M234 VanDerWaalsContact O-CB 3.26Å; K208-M234 WeakPolarHBondContact O-CB 3.31Å; K208-M234 WeakPolarHBondContact O-CE 3.29Å; K208-M234 VanDerWaalsContact O-CG 3.26Å; K208-M234 WeakPolarHBondContact O-CG 3.34Å; L210-M234 HydrophobicContact CB-CG 4.1Å; L210-M234 HydrophobicContact CB-SD 4.12Å; L210-M234 HydrophobicContact CD1-CG 4.44Å; I230-M234 HydrophobicContact CG2-CG 4.33Å; I230-M234 HydrophobicContact CG2-SD 3.72Å; I230-M234 WeakPolarHBondContact O-CB 3.28Å; I230-M234 PolarHBondContact O-N 2.97Å; M234-L236 VanDerWaalsContact C-N 3.3Å; M234-L236 HydrophobicContact CB-CD2 3.65Å; M234-L236 HydrophobicContact CB-CG 3.87Å; M234-L236 PolarHBondContact O-N 2.71Å; M234-F278 HydrophobicContact CE-CE2 4.37Å; M234-F278 HydrophobicContact SD-CE2 3.5Å; M234-F278 VanDerWaalsContact SD-CE2 3.5Å; M234-F278 HydrophobicContact SD-CZ 3.73Å |
| 235 | E | 93 | Very high | 93.3 | Very high | 116 Ų | 116 | 61.3 Ų | 61.3 | 54% | 0.542 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 43.7 | 179.8 | -63.7 | 175.2 | -161.3 | 0 | 0 | 112.9 | K208 R231 | K208-E235 HydrophobicContact CD-CG 4.37Å; K208-E235 WeakPolarHBondContact CD-OE1 3.42Å; K208-E235 WeakPolarHBondContact CD-OE2 3.4Å; K208-E235 WeakPolarHBondContact CE-OE1 3.31Å; K208-E235 WeakPolarHBondContact CE-OE2 3.25Å; K208-E235 IonicContact NZ-OE1 2.72Å; K208-E235 PolarHBondContact NZ-OE1 3.2Å; K208-E235 IonicContact NZ-OE2 2.81Å; K208-E235 PolarHBondContact NZ-OE2 3.03Å; R231-E235 PolarHBondContact O-N 2.77Å; R231-E235 VanDerWaalsContact O-N 3.1Å |
| 236 | L | 92.1 | Very high | 93.1 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | trans | -70.6 | 146.9 | -174.5 | -55.9 | -175.1 | 0 | 0 | 0 | 112.3 | Y207 I230 R231 M234 C240 V242 L280 | Y207-L236 HydrophobicContact CG-CD2 4.25Å; I230-L236 HydrophobicContact CG2-CD1 4.43Å; R231-L236 HydrophobicContact CB-CB 4.47Å; R231-L236 HydrophobicContact CB-CD1 4.43Å; R231-L236 HydrophobicContact CG-CB 4.46Å; R231-L236 HydrophobicContact CG-CD1 4.01Å; R231-L236 PolarHBondContact O-N 2.97Å; M234-L236 VanDerWaalsContact C-N 3.3Å; M234-L236 HydrophobicContact CB-CD2 3.65Å; M234-L236 HydrophobicContact CB-CG 3.87Å; M234-L236 PolarHBondContact O-N 2.71Å; L236-C240 HydrophobicContact CB-CB 4.4Å; L236-V242 HydrophobicContact CD1-CG2 3.54Å; L236-L280 HydrophobicContact CD1-CD1 4.42Å; L236-L280 HydrophobicContact CD1-CD2 3.47Å; L236-L280 VanDerWaalsContact CD1-CD2 3.47Å; L236-L280 HydrophobicContact CD2-CD1 3.77Å; L236-L280 HydrophobicContact CD2-CD2 4.32Å | ||
| 237 | S | 88.2 | Confident | 92.6 | Very high | 54 Ų | 54 | 58.9 Ų | 58.9 | 38% | 0.378 | 31% | 0.305 | S | S | . | . | trans | -62.3 | 156.8 | 174.8 | 73.1 | 0 | 0 | 0 | 0 | 111.7 | R231 T239 C240 | R231-S237 PolarHBondContact NH2-O 3.32Å; S237-T239 PolarHBondContact O-N 3.24Å; S237-T239 PolarHBondContact OG-OG1 3.3Å; S237-T239 VanDerWaalsContact OG-OG1 3.05Å; S237-C240 PolarHBondContact O-N 2.86Å; S237-C240 WeakPolarHBondContact OG-CB 3.45Å; S237-C240 PolarHBondContact OG-N 3.36Å | ||
| 238 | P | 85.6 | Confident | 92.1 | Very high | 122 Ų | 122 | 65 Ų | 65 | 79% | 0.792 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -58.8 | -33.9 | 176.3 | -24.6 | 34.5 | 0 | 0 | 0 | 113.2 | R231 | R231-P238 VanDerWaalsContact NH2-C 3.34Å; R231-P238 VanDerWaalsContact NH2-CA 3.29Å; R231-P238 PolarHBondContact NH2-O 3.28Å |
| 239 | T | 85.2 | Confident | 91.8 | Very high | 89 Ų | 89 | 66.6 Ų | 66.6 | 55% | 0.546 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -76.2 | -27.9 | -177.7 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | S237 P283 | S237-T239 PolarHBondContact O-N 3.24Å; S237-T239 PolarHBondContact OG-OG1 3.3Å; S237-T239 VanDerWaalsContact OG-OG1 3.05Å; T239-P283 WeakPolarHBondContact O-CD 3.39Å; T239-P283 WeakPolarHBondContact O-CG 3.4Å |
| 240 | C | 89.9 | Confident | 91.7 | Very high | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.007 | 36% | 0.359 | C | S | . | . | trans | -68.9 | 132.4 | 177.5 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | R231 L236 S237 | R231-C240 PolarHBondContact NH1-O 2.96Å; R231-C240 PolarHBondContact NH2-O 2.87Å; L236-C240 HydrophobicContact CB-CB 4.4Å; S237-C240 PolarHBondContact O-N 2.86Å; S237-C240 WeakPolarHBondContact OG-CB 3.45Å; S237-C240 PolarHBondContact OG-N 3.36Å | ||
| 241 | Q | 91.8 | Very high | 91.6 | Very high | 91 Ų | 91 | 69.9 Ų | 69.9 | 43% | 0.425 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 158.4 | 172.5 | -62.6 | -173.7 | 3.7 | 0 | 0 | 110.2 | L280 V281 | Q241-L280 WeakPolarHBondContact O-CA 3.34Å; Q241-V281 HydrophobicContact CB-CG2 3.71Å; Q241-V281 PolarHBondContact N-O 2.72Å; Q241-V281 PolarHBondContact O-N 2.81Å |
| 242 | V | 95.5 | Very high | 91.6 | Very high | 6 Ų | 6 | 71 Ų | 71 | 4% | 0.036 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 115.3 | 179 | -179.6 | 0 | 0 | 0 | 0 | 106.8 | E227 I230 R231 L236 V244 F278 G279 L280 | E227-V242 HydrophobicContact CB-CB 4.43Å; E227-V242 HydrophobicContact CG-CB 4.39Å; I230-V242 HydrophobicContact CB-CG1 4.37Å; I230-V242 HydrophobicContact CD1-CG1 3.99Å; I230-V242 HydrophobicContact CG2-CG1 4.07Å; I230-V242 HydrophobicContact CG2-CG2 4.16Å; R231-V242 HydrophobicContact CG-CG2 3.71Å; L236-V242 HydrophobicContact CD1-CG2 3.54Å; V242-V244 HydrophobicContact CG1-CG2 4.16Å; V242-F278 HydrophobicContact CG1-CB 4.16Å; V242-F278 HydrophobicContact CG1-CD2 4.19Å; V242-G279 WeakPolarHBondContact CA-O 3.5Å; V242-L280 HydrophobicContact CG2-CD2 3.95Å |
| 243 | D | 95.1 | Very high | 91.6 | Very high | 60 Ų | 60 | 65.2 Ų | 65.2 | 32% | 0.321 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135.6 | 171.9 | -75.3 | -10.2 | 0 | 0 | 0 | 108.7 | L250 F278 G279 | D243-L250 HydrophobicContact CB-CD1 4.04Å; D243-F278 CarbonylContact O-C 3.49Å; D243-F278 WeakPolarHBondContact O-CA 3.03Å; D243-F278 WeakPolarHBondContact O-CB 3.49Å; D243-G279 PolarHBondContact N-O 3.43Å; D243-G279 PolarHBondContact O-N 2.93Å |
| 244 | V | 96.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.012 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129 | -178.9 | -171.5 | 0 | 0 | 0 | 0 | 108.9 | V223 E227 V242 L251 L276 H277 F278 | V223-V244 HydrophobicContact CG1-CB 3.98Å; V223-V244 HydrophobicContact CG1-CG2 4.18Å; E227-V244 HydrophobicContact CG-CG2 4.09Å; V242-V244 HydrophobicContact CG1-CG2 4.16Å; V244-L251 HydrophobicContact CG1-CD1 4.15Å; V244-L251 WeakPolarHBondContact O-CB 3.28Å; V244-L251 PolarHBondContact O-N 2.93Å; V244-L276 HydrophobicContact CG1-CB 3.99Å; V244-L276 HydrophobicContact CG1-CD1 4.16Å; V244-L276 HydrophobicContact CG1-CG 4.46Å; V244-H277 CarbonylContact C-O 3.59Å; V244-H277 WeakPolarHBondContact CA-O 3.39Å; V244-F278 HydrophobicContact CG2-CB 4.4Å |
| 245 | V | 94.3 | Very high | 91.8 | Very high | 40 Ų | 40 | 69.6 Ų | 69.6 | 24% | 0.242 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.2 | -175.1 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | G247 H249 L250 H277 | V245-G247 VanDerWaalsContact CG1-O 3.28Å; V245-G247 WeakPolarHBondContact CG1-O 3.44Å; V245-H249 VanDerWaalsContact CA-O 3.31Å; V245-H249 WeakPolarHBondContact CA-O 3.35Å; V245-H249 WeakPolarHBondContact CG1-O 3.35Å; V245-L250 HydrophobicContact CG2-CD1 3.9Å; V245-H277 HydrophobicContact CB-CB 4.43Å; V245-H277 PolarHBondContact N-O 2.94Å; V245-H277 PolarHBondContact O-N 2.99Å |
| 246 | C | 92.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.007 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 119.9 | 168.8 | -170.3 | 0 | 0 | 0 | 0 | 109.3 | D248 H249 L251 V260 L264 A268 V275 L276 | C246-D248 PolarHBondContact O-N 2.85Å; C246-H249 PolarHBondContact N-O 2.91Å; C246-H249 PolarHBondContact O-N 2.93Å; C246-L251 HydrophobicContact CB-CD1 4.08Å; C246-L251 HydrophobicContact CB-CD2 4.12Å; C246-L251 HydrophobicContact CB-CG 4.35Å; C246-V260 HydrophobicContact CB-CG1 4.36Å; C246-L264 HydrophobicContact CB-CD1 3.53Å; C246-L264 VanDerWaalsContact SG-CD1 3.6Å; C246-A268 VanDerWaalsContact SG-CB 3.5Å; C246-V275 PolarHBondContact SG-O 2.99Å; C246-L276 HydrophobicContact CB-CD2 3.77Å |
| 247 | G | 87.1 | Confident | 92 | Very high | 51 Ų | 51 | 63.7 Ų | 63.7 | 53% | 0.526 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | -119 | -164.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V245 | V245-G247 VanDerWaalsContact CG1-O 3.28Å; V245-G247 WeakPolarHBondContact CG1-O 3.44Å |
| 248 | D | 85.1 | Confident | 92.2 | Very high | 162 Ų | 162 | 66.8 Ų | 66.8 | 87% | 0.866 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 8 | 177.7 | -62.1 | -40.7 | 0 | 0 | 0 | 113.7 | C246 | C246-D248 PolarHBondContact O-N 2.85Š|
| 249 | H | 89.8 | Confident | 92.5 | Very high | 112 Ų | 112 | 66.2 Ų | 66.2 | 52% | 0.519 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 117.1 | -173.7 | -59.7 | 87.1 | 0 | 0 | 0 | 111.6 | V245 C246 L251 L264 | V245-H249 VanDerWaalsContact CA-O 3.31Å; V245-H249 WeakPolarHBondContact CA-O 3.35Å; V245-H249 WeakPolarHBondContact CG1-O 3.35Å; C246-H249 PolarHBondContact N-O 2.91Å; C246-H249 PolarHBondContact O-N 2.93Å; H249-L251 PolarHBondContact O-N 2.98Å; H249-L264 HydrophobicContact CB-CD2 4.07Å; H249-L264 WeakPolarHBondContact ND1-CD2 3.43Å |
| 250 | L | 92.5 | Very high | 92.8 | Very high | 117 Ų | 117 | 62 Ų | 62 | 61% | 0.613 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 124.3 | 168 | -176.7 | 67.7 | 0 | 0 | 0 | 109.1 | D243 V245 | D243-L250 HydrophobicContact CB-CD1 4.04Å; V245-L250 HydrophobicContact CG2-CD1 3.9Å |
| 251 | L | 94.3 | Very high | 92.7 | Very high | 16 Ų | 16 | 64 Ų | 64 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -88.2 | 140.1 | -174.1 | -55.7 | -176.8 | 0 | 0 | 0 | 111.4 | V223 V244 C246 H249 V260 L264 L276 | V223-L251 HydrophobicContact CG1-CB 4.1Å; V223-L251 HydrophobicContact CG2-CB 3.81Å; V223-L251 HydrophobicContact CG2-CD1 4.01Å; V244-L251 HydrophobicContact CG1-CD1 4.15Å; V244-L251 WeakPolarHBondContact O-CB 3.28Å; V244-L251 PolarHBondContact O-N 2.93Å; C246-L251 HydrophobicContact CB-CD1 4.08Å; C246-L251 HydrophobicContact CB-CD2 4.12Å; C246-L251 HydrophobicContact CB-CG 4.35Å; H249-L251 PolarHBondContact O-N 2.98Å; L251-V260 HydrophobicContact CD1-CG1 3.88Å; L251-V260 HydrophobicContact CD1-CG2 4.05Å; L251-V260 HydrophobicContact CD2-CG1 3.99Å; L251-V260 HydrophobicContact CD2-CG2 4.18Å; L251-L264 HydrophobicContact CD2-CD1 4.38Å; L251-L276 HydrophobicContact CD1-CD2 3.8Å |
| 252 | D | 93.6 | Very high | 92.3 | Very high | 86 Ų | 86 | 62.9 Ų | 62.9 | 46% | 0.46 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 135.8 | 174 | -178.6 | -71.2 | 0 | 0 | 0 | 110.3 | V223 Y254 Q255 | V223-D252 WeakPolarHBondContact CB-O 3.42Å; V223-D252 WeakPolarHBondContact CG2-O 3.34Å; D252-Y254 PolarHBondContact O-N 3.02Å; D252-Y254 WeakPolarHBondContact OD1-CB 3.48Å; D252-Y254 VanDerWaalsContact OD1-CD2 3.25Å; D252-Y254 WeakPolarHBondContact OD1-CD2 3.39Å; D252-Y254 PolarHBondContact OD1-N 2.92Å; D252-Q255 HydrophobicContact CB-CG 4.04Å; D252-Q255 WeakPolarHBondContact O-CB 3.49Å; D252-Q255 PolarHBondContact O-N 3.45Å |
| 253 | R | 94.9 | Very high | 91.7 | Very high | 97 Ų | 97 | 66.4 Ų | 66.4 | 37% | 0.366 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -23 | -176.4 | 71.3 | -168.5 | -52.6 | -124.6 | 6.8 | 115 | T222 R224 E227 | T222-R253 WeakPolarHBondContact CB-O 3.15Å; T222-R253 PolarHBondContact OG1-O 3.19Å; R224-R253 HydrophobicContact CB-CB 4.2Å; R224-R253 WeakPolarHBondContact CB-O 3.28Å; R224-R253 PolarHBondContact N-O 3.41Å; E227-R253 WeakPolarHBondContact OE1-CB 3.39Å |
| 254 | Y | 95.8 | Very high | 90.8 | Very high | 157 Ų | 157 | 65 Ų | 65 | 62% | 0.616 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -12.6 | -179.6 | -59.2 | -75.1 | 0 | 0 | 0 | 113.5 | T222 D252 | T222-Y254 WeakPolarHBondContact CG2-O 3.36Å; D252-Y254 PolarHBondContact O-N 3.02Å; D252-Y254 WeakPolarHBondContact OD1-CB 3.48Å; D252-Y254 VanDerWaalsContact OD1-CD2 3.25Å; D252-Y254 WeakPolarHBondContact OD1-CD2 3.39Å; D252-Y254 PolarHBondContact OD1-N 2.92Å |
| 255 | Q | 94.8 | Very high | 89.4 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 29% | 0.285 | 36% | 0.361 | S | S | . | . | trans | -65.7 | 134.9 | 176.4 | -70.8 | 175.3 | -45.5 | 0 | 0 | 110.8 | T222 V223 D252 E259 V260 | T222-Q255 CarbonylContact C-O 3.6Å; T222-Q255 WeakPolarHBondContact CA-O 3.22Å; T222-Q255 VanDerWaalsContact CB-O 3.28Å; T222-Q255 WeakPolarHBondContact CB-O 3.43Å; V223-Q255 HydrophobicContact CG2-CB 4.27Å; V223-Q255 PolarHBondContact N-O 2.9Å; D252-Q255 HydrophobicContact CB-CG 4.04Å; D252-Q255 WeakPolarHBondContact O-CB 3.49Å; D252-Q255 PolarHBondContact O-N 3.45Å; Q255-E259 WeakPolarHBondContact CA-OE2 3.28Å; Q255-V260 HydrophobicContact CB-CG2 4.06Å | ||
| 256 | S | 96 | Very high | 88.1 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | B | Isolated β-bridge | trans | -75.8 | 152.5 | 170.8 | 71.8 | 0 | 0 | 0 | 0 | 111.1 | R258 E259 V260 | S256-R258 PolarHBondContact O-N 3.3Å; S256-E259 PolarHBondContact N-OE2 3.4Å; S256-E259 WeakPolarHBondContact O-CB 3.43Å; S256-E259 PolarHBondContact O-N 2.82Å; S256-E259 VanDerWaalsContact O-N 3.07Å; S256-E259 WeakPolarHBondContact OG-CB 3.39Å; S256-E259 VanDerWaalsContact OG-CD 3.27Å; S256-E259 WeakPolarHBondContact OG-CG 3.42Å; S256-E259 PolarHBondContact OG-N 2.97Å; S256-E259 VanDerWaalsContact OG-N 3.12Å; S256-E259 PolarHBondContact OG-OE2 3.23Å; S256-V260 WeakPolarHBondContact O-CG2 3.07Å; S256-V260 PolarHBondContact O-N 2.84Å |
| 257 | L | 94.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.5 | -29.6 | 177.4 | -69.3 | 168.6 | 0 | 0 | 0 | 112.2 | V191 L193 V217 G219 A221 V226 V260 Q261 L274 L276 | V191-L257 HydrophobicContact CG1-CB 4.33Å; V191-L257 HydrophobicContact CG1-CD1 4.49Å; L193-L257 HydrophobicContact CD1-CD1 3.89Å; L193-L257 HydrophobicContact CD1-CD2 4.35Å; L193-L257 HydrophobicContact CD2-CD1 4.13Å; L193-L257 HydrophobicContact CD2-CD2 4Å; L193-L257 HydrophobicContact CG-CD1 4.41Å; V217-L257 HydrophobicContact CG1-CD1 3.29Å; G219-L257 PolarHBondContact O-N 3.4Å; A221-L257 HydrophobicContact CB-CD1 4.15Å; A221-L257 VanDerWaalsContact O-CG 3.25Å; A221-L257 WeakPolarHBondContact O-CG 3.39Å; A221-L257 PolarHBondContact O-N 3.17Å; V226-L257 HydrophobicContact CG2-CD1 4.34Å; V226-L257 HydrophobicContact CG2-CD2 4.11Å; L257-V260 PolarHBondContact O-N 2.96Å; L257-Q261 WeakPolarHBondContact O-CG 3.38Å; L257-Q261 PolarHBondContact O-N 2.78Å; L257-L274 HydrophobicContact CD2-CD2 4.01Å; L257-L276 HydrophobicContact CD2-CD1 4.01Å |
| 258 | R | 92 | Very high | 86.3 | Confident | 119 Ų | 119 | 77 Ų | 77 | 45% | 0.449 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.9 | -40.1 | 172.4 | -172 | 179.6 | -73 | 157.2 | 2.5 | 112.2 | D190 G219 E220 S256 Q261 G262 | D190-R258 IonicContact OD2-CZ 3.93Å; D190-R258 IonicContact OD2-NH2 2.88Å; D190-R258 PolarHBondContact OD2-NH2 3.01Å; G219-R258 PolarHBondContact O-N 2.82Å; E220-R258 IonicContact OE1-CZ 3.35Å; E220-R258 IonicContact OE1-NH1 2.73Å; E220-R258 PolarHBondContact OE1-NH1 2.77Å; E220-R258 IonicContact OE1-NH2 3.73Å; S256-R258 PolarHBondContact O-N 3.3Å; R258-Q261 PolarHBondContact O-N 2.84Å; R258-G262 PolarHBondContact O-N 2.65Å |
| 259 | E | 92.1 | Very high | 86.1 | Confident | 110 Ų | 110 | 71.9 Ų | 71.9 | 51% | 0.514 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 173.6 | -75.5 | 162.5 | 179.2 | 0 | 0 | 111.5 | Q255 S256 Q261 G262 S263 | Q255-E259 WeakPolarHBondContact CA-OE2 3.28Å; S256-E259 PolarHBondContact N-OE2 3.4Å; S256-E259 WeakPolarHBondContact O-CB 3.43Å; S256-E259 PolarHBondContact O-N 2.82Å; S256-E259 VanDerWaalsContact O-N 3.07Å; S256-E259 WeakPolarHBondContact OG-CB 3.39Å; S256-E259 VanDerWaalsContact OG-CD 3.27Å; S256-E259 WeakPolarHBondContact OG-CG 3.42Å; S256-E259 PolarHBondContact OG-N 2.97Å; S256-E259 VanDerWaalsContact OG-N 3.12Å; S256-E259 PolarHBondContact OG-OE2 3.23Å; E259-Q261 PolarHBondContact O-N 2.78Å; E259-G262 PolarHBondContact O-N 2.86Å; E259-S263 VanDerWaalsContact O-CB 3.27Å; E259-S263 WeakPolarHBondContact O-CB 3.42Å; E259-S263 PolarHBondContact O-N 3.27Å; E259-S263 PolarHBondContact O-OG 2.91Å |
| 260 | V | 91.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 175.8 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | V223 C246 L251 Q255 S256 L257 G262 S263 L264 L274 | V223-V260 HydrophobicContact CG2-CG2 4.21Å; C246-V260 HydrophobicContact CB-CG1 4.36Å; L251-V260 HydrophobicContact CD1-CG1 3.88Å; L251-V260 HydrophobicContact CD1-CG2 4.05Å; L251-V260 HydrophobicContact CD2-CG1 3.99Å; L251-V260 HydrophobicContact CD2-CG2 4.18Å; Q255-V260 HydrophobicContact CB-CG2 4.06Å; S256-V260 WeakPolarHBondContact O-CG2 3.07Å; S256-V260 PolarHBondContact O-N 2.84Å; L257-V260 PolarHBondContact O-N 2.96Å; V260-G262 PolarHBondContact O-N 3.5Å; V260-S263 PolarHBondContact O-N 3.18Å; V260-S263 PolarHBondContact O-OG 3.31Å; V260-L264 HydrophobicContact CG1-CD1 3.8Å; V260-L264 PolarHBondContact O-N 3.3Å; V260-L274 HydrophobicContact CG1-CD1 4.34Å; V260-L274 HydrophobicContact CG1-CD2 4.23Å |
| 261 | Q | 88.1 | Confident | 85.3 | Confident | 43 Ų | 43 | 73.8 Ų | 73.8 | 20% | 0.201 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 174.5 | -73.2 | 176.3 | -27.7 | 0 | 0 | 113 | L257 R258 E259 G265 L274 | L257-Q261 WeakPolarHBondContact O-CG 3.38Å; L257-Q261 PolarHBondContact O-N 2.78Å; R258-Q261 PolarHBondContact O-N 2.84Å; E259-Q261 PolarHBondContact O-N 2.78Å; Q261-G265 PolarHBondContact O-N 3.1Å; Q261-L274 HydrophobicContact CG-CB 4.49Å; Q261-L274 HydrophobicContact CG-CD1 4.11Å; Q261-L274 HydrophobicContact CG-CD2 3.98Å; Q261-L274 HydrophobicContact CG-CG 4.43Å |
| 262 | G | 83.8 | Confident | 84.7 | Confident | 67 Ų | 67 | 75.6 Ų | 75.6 | 69% | 0.691 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -69.7 | -32.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R258 E259 V260 | R258-G262 PolarHBondContact O-N 2.65Å; E259-G262 PolarHBondContact O-N 2.86Å; V260-G262 PolarHBondContact O-N 3.5Å |
| 263 | S | 81.1 | Confident | 84.5 | Confident | 80 Ų | 80 | 73.6 Ų | 73.6 | 56% | 0.559 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -80.5 | -32.5 | -176.4 | 64.6 | 0 | 0 | 0 | 0 | 113.7 | E259 V260 | E259-S263 VanDerWaalsContact O-CB 3.27Å; E259-S263 WeakPolarHBondContact O-CB 3.42Å; E259-S263 PolarHBondContact O-N 3.27Å; E259-S263 PolarHBondContact O-OG 2.91Å; V260-S263 PolarHBondContact O-N 3.18Å; V260-S263 PolarHBondContact O-OG 3.31Å |
| 264 | L | 76.1 | Confident | 84.4 | Confident | 31 Ų | 31 | 69 Ų | 69 | 16% | 0.162 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -100.5 | -12.3 | -175.2 | -63.5 | 168.6 | 0 | 0 | 0 | 113.7 | C246 H249 L251 V260 A268 | C246-L264 HydrophobicContact CB-CD1 3.53Å; C246-L264 VanDerWaalsContact SG-CD1 3.6Å; H249-L264 HydrophobicContact CB-CD2 4.07Å; H249-L264 WeakPolarHBondContact ND1-CD2 3.43Å; L251-L264 HydrophobicContact CD2-CD1 4.38Å; V260-L264 HydrophobicContact CG1-CD1 3.8Å; V260-L264 PolarHBondContact O-N 3.3Å; L264-A268 HydrophobicContact CB-CB 3.61Å; L264-A268 HydrophobicContact CD1-CB 4.2Å |
| 265 | G | 68.1 | Low | 84.3 | Confident | 33 Ų | 33 | 62.3 Ų | 62.3 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | 65.9 | -155.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q261 D267 A268 | Q261-G265 PolarHBondContact O-N 3.1Å; G265-D267 PolarHBondContact O-N 3.48Å; G265-A268 PolarHBondContact O-N 3.02Å |
| 266 | D | 67.3 | Low | 84.4 | Confident | 139 Ų | 139 | 59.5 Ų | 59.5 | 74% | 0.743 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -65.2 | -21.8 | -175.4 | -71.4 | -18 | 0 | 0 | 0 | 113.1 | A268 L269 | D266-A268 PolarHBondContact O-N 2.84Å; D266-L269 PolarHBondContact O-N 2.94Å; D266-L269 VanDerWaalsContact O-N 3.08Å |
| 267 | D | 69.9 | Low | 84.4 | Confident | 165 Ų | 165 | 61.8 Ų | 61.8 | 88% | 0.882 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -67.2 | -21.7 | -179.7 | -67.3 | -26.1 | 0 | 0 | 0 | 112.9 | G265 | G265-D267 PolarHBondContact O-N 3.48Š|
| 268 | A | 70.9 | Confident | 84.4 | Confident | 8 Ų | 8 | 61.9 Ų | 61.9 | 7% | 0.066 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -85.1 | -11.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | C246 L264 G265 D266 L274 V275 | C246-A268 VanDerWaalsContact SG-CB 3.5Å; L264-A268 HydrophobicContact CB-CB 3.61Å; L264-A268 HydrophobicContact CD1-CB 4.2Å; G265-A268 PolarHBondContact O-N 3.02Å; D266-A268 PolarHBondContact O-N 2.84Å; A268-L274 HydrophobicContact CB-CD1 3.79Å; A268-V275 PolarHBondContact O-N 3.03Å |
| 269 | L | 81.9 | Confident | 84.6 | Confident | 55 Ų | 55 | 57 Ų | 57 | 29% | 0.288 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 119.3 | -171.7 | -76.1 | 153.7 | 0 | 0 | 0 | 110.8 | D266 I273 L274 | D266-L269 PolarHBondContact O-N 2.94Å; D266-L269 VanDerWaalsContact O-N 3.08Å; L269-I273 CarbonylContact C-O 3.24Å; L269-I273 WeakPolarHBondContact CA-O 3.35Å; L269-L274 HydrophobicContact CD2-CB 4.5Å |
| 270 | Q | 81.7 | Confident | 84.7 | Confident | 111 Ų | 111 | 51.9 Ų | 51.9 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 113.8 | 168.8 | -171.1 | 172.9 | -3 | 0 | 0 | 109.2 | G272 I273 V275 | Q270-G272 PolarHBondContact O-N 3.12Å; Q270-G272 VanDerWaalsContact O-N 3.12Å; Q270-I273 PolarHBondContact N-O 2.77Å; Q270-I273 WeakPolarHBondContact O-CA 3.18Å; Q270-I273 VanDerWaalsContact O-CB 3.28Å; Q270-I273 WeakPolarHBondContact O-CB 3.36Å; Q270-I273 PolarHBondContact O-N 3.23Å; Q270-V275 HydrophobicContact CB-CG2 3.82Å |
| 271 | D | 82.2 | Confident | 84.8 | Confident | 158 Ų | 158 | 53.5 Ų | 53.5 | 85% | 0.845 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 33.5 | -177.9 | -61.4 | -46.1 | 0 | 0 | 0 | 113.7 | ||
| 272 | G | 82.4 | Confident | 84.8 | Confident | 54 Ų | 54 | 54.7 Ų | 54.7 | 56% | 0.557 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 11.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q270 | Q270-G272 PolarHBondContact O-N 3.12Å; Q270-G272 VanDerWaalsContact O-N 3.12Å |
| 273 | I | 90.1 | Very high | 84.6 | Confident | 45 Ų | 45 | 54 Ų | 54 | 23% | 0.231 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.9 | 176.4 | -53.9 | 175.5 | 0 | 0 | 0 | 108.8 | Q194 Y214 L269 Q270 V275 | Q194-I273 HydrophobicContact CB-CG2 3.72Å; Y214-I273 HydrophobicContact CE1-CD1 4.34Å; L269-I273 CarbonylContact C-O 3.24Å; L269-I273 WeakPolarHBondContact CA-O 3.35Å; Q270-I273 PolarHBondContact N-O 2.77Å; Q270-I273 WeakPolarHBondContact O-CA 3.18Å; Q270-I273 VanDerWaalsContact O-CB 3.28Å; Q270-I273 WeakPolarHBondContact O-CB 3.36Å; Q270-I273 PolarHBondContact O-N 3.23Å; I273-V275 PolarHBondContact O-N 2.81Å |
| 274 | L | 92.8 | Very high | 84 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 115 | 175.3 | 178.9 | 66.1 | 0 | 0 | 0 | 109.2 | S192 L193 Q194 L257 V260 Q261 A268 L269 L276 | S192-L274 PolarHBondContact O-N 3.01Å; L193-L274 WeakPolarHBondContact CA-O 3.38Å; L193-L274 HydrophobicContact CD2-CB 3.89Å; L193-L274 HydrophobicContact CD2-CD2 3.69Å; L193-L274 HydrophobicContact CD2-CG 4.12Å; Q194-L274 PolarHBondContact N-O 3.08Å; L257-L274 HydrophobicContact CD2-CD2 4.01Å; V260-L274 HydrophobicContact CG1-CD1 4.34Å; V260-L274 HydrophobicContact CG1-CD2 4.23Å; Q261-L274 HydrophobicContact CG-CB 4.49Å; Q261-L274 HydrophobicContact CG-CD1 4.11Å; Q261-L274 HydrophobicContact CG-CD2 3.98Å; Q261-L274 HydrophobicContact CG-CG 4.43Å; A268-L274 HydrophobicContact CB-CD1 3.79Å; L269-L274 HydrophobicContact CD2-CB 4.5Å; L274-L276 HydrophobicContact CD1-CD2 4.39Å; L274-L276 HydrophobicContact CD2-CD2 4.08Å; L274-L276 HydrophobicContact CD2-CG 4.4Å; L274-L276 HydrophobicContact CG-CD2 3.93Å; L274-L276 HydrophobicContact CG-CG 4.21Å |
| 275 | V | 93.6 | Very high | 83.2 | Confident | 17 Ų | 17 | 62.5 Ų | 62.5 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 118 | -179 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | Q194 E196 C246 A268 Q270 I273 | Q194-V275 HydrophobicContact CB-CG2 4.42Å; E196-V275 HydrophobicContact CG-CG1 4.13Å; C246-V275 PolarHBondContact SG-O 2.99Å; A268-V275 PolarHBondContact O-N 3.03Å; Q270-V275 HydrophobicContact CB-CG2 3.82Å; I273-V275 PolarHBondContact O-N 2.81Å |
| 276 | L | 95.9 | Very high | 81.8 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 122.6 | 178.1 | -58.3 | -178.2 | 0 | 0 | 0 | 109.5 | L193 Q194 L195 E196 V226 V244 C246 L251 L257 L274 | L193-L276 HydrophobicContact CD1-CD1 4.3Å; L193-L276 HydrophobicContact CD2-CD1 4.14Å; Q194-L276 PolarHBondContact O-N 3.23Å; L195-L276 CarbonylContact C-O 3.6Å; L195-L276 WeakPolarHBondContact CA-O 3.26Å; L195-L276 HydrophobicContact CD2-CB 4.03Å; L195-L276 HydrophobicContact CD2-CD1 4.27Å; E196-L276 PolarHBondContact N-O 3.29Å; V226-L276 HydrophobicContact CG1-CD1 4.35Å; V226-L276 HydrophobicContact CG2-CD1 4.48Å; V244-L276 HydrophobicContact CG1-CB 3.99Å; V244-L276 HydrophobicContact CG1-CD1 4.16Å; V244-L276 HydrophobicContact CG1-CG 4.46Å; C246-L276 HydrophobicContact CB-CD2 3.77Å; L251-L276 HydrophobicContact CD1-CD2 3.8Å; L257-L276 HydrophobicContact CD2-CD1 4.01Å; L274-L276 HydrophobicContact CD1-CD2 4.39Å; L274-L276 HydrophobicContact CD2-CD2 4.08Å; L274-L276 HydrophobicContact CD2-CG 4.4Å; L274-L276 HydrophobicContact CG-CD2 3.93Å; L274-L276 HydrophobicContact CG-CG 4.21Å |
| 277 | H | 95.7 | Very high | 82.6 | Confident | 61 Ų | 61 | 69.6 Ų | 69.6 | 28% | 0.282 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 139.5 | 172.2 | -66.6 | 94.4 | 0 | 0 | 0 | 109 | E196 V198 V244 V245 | E196-H277 CarbonylContact O-C 3.58Å; E196-H277 WeakPolarHBondContact O-CA 3.26Å; E196-H277 IonicContact OE2-CD2 3.79Å; E196-H277 IonicContact OE2-NE2 3.3Å; E196-H277 PolarHBondContact OE2-NE2 3.38Å; V198-H277 HydrophobicContact CG2-CB 3.62Å; V244-H277 CarbonylContact C-O 3.59Å; V244-H277 WeakPolarHBondContact CA-O 3.39Å; V245-H277 HydrophobicContact CB-CB 4.43Å; V245-H277 PolarHBondContact N-O 2.94Å; V245-H277 PolarHBondContact O-N 2.99Å |
| 278 | F | 96.4 | Very high | 83.2 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.009 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146.3 | 176.2 | 74 | -85.6 | 0 | 0 | 0 | 112.7 | L195 E196 F197 V198 L210 I230 M234 V242 D243 V244 | L195-F278 HydrophobicContact CB-CD1 4.22Å; L195-F278 HydrophobicContact CB-CE1 3.99Å; E196-F278 VanDerWaalsContact O-CD1 3.28Å; E196-F278 WeakPolarHBondContact O-CD1 3.49Å; E196-F278 PolarHBondContact O-N 3.05Å; F197-F278 HydrophobicContact CB-CE1 3.95Å; F197-F278 HydrophobicContact CB-CE2 4.2Å; F197-F278 HydrophobicContact CB-CZ 3.66Å; F197-F278 AromaticContact CD2-CD2 3.93Å; F197-F278 HydrophobicContact CD2-CD2 3.93Å; F197-F278 AromaticContact CD2-CE2 3.41Å; F197-F278 HydrophobicContact CD2-CE2 3.41Å; F197-F278 VanDerWaalsContact CD2-CE2 3.41Å; F197-F278 AromaticContact CD2-CZ 3.79Å; F197-F278 HydrophobicContact CD2-CZ 3.79Å; F197-F278 HydrophobicContact CE2-CE2 4.19Å; F197-F278 HydrophobicContact CG-CE2 4.19Å; F197-F278 HydrophobicContact CG-CZ 4.11Å; V198-F278 PolarHBondContact N-O 3.27Å; L210-F278 HydrophobicContact CD2-CE1 4.1Å; L210-F278 HydrophobicContact CD2-CZ 4.12Å; I230-F278 HydrophobicContact CD1-CB 4Å; I230-F278 HydrophobicContact CD1-CD1 3.93Å; I230-F278 HydrophobicContact CD1-CD2 3.98Å; I230-F278 HydrophobicContact CD1-CE1 4.4Å; I230-F278 HydrophobicContact CD1-CE2 4.44Å; I230-F278 HydrophobicContact CD1-CG 3.69Å; I230-F278 HydrophobicContact CG2-CD2 3.82Å; I230-F278 HydrophobicContact CG2-CE2 3.58Å; I230-F278 HydrophobicContact CG2-CZ 4.2Å; M234-F278 HydrophobicContact CE-CE2 4.37Å; M234-F278 HydrophobicContact SD-CE2 3.5Å; M234-F278 VanDerWaalsContact SD-CE2 3.5Å; M234-F278 HydrophobicContact SD-CZ 3.73Å; V242-F278 HydrophobicContact CG1-CB 4.16Å; V242-F278 HydrophobicContact CG1-CD2 4.19Å; D243-F278 CarbonylContact O-C 3.49Å; D243-F278 WeakPolarHBondContact O-CA 3.03Å; D243-F278 WeakPolarHBondContact O-CB 3.49Å; V244-F278 HydrophobicContact CG2-CB 4.4Å |
| 279 | G | 94.8 | Very high | 83.9 | Confident | 18 Ų | 18 | 67.7 Ų | 67.7 | 19% | 0.186 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 156.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G199 V242 D243 | G199-G279 VanDerWaalsContact O-CA 3.28Å; G199-G279 WeakPolarHBondContact O-CA 3.5Å; V242-G279 WeakPolarHBondContact CA-O 3.5Å; D243-G279 PolarHBondContact N-O 3.43Å; D243-G279 PolarHBondContact O-N 2.93Å |
| 280 | L | 95.6 | Very high | 84 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 127.2 | 173 | -52.5 | -174.9 | 0 | 0 | 0 | 109.6 | F197 G199 A200 E201 I204 Y207 L236 Q241 V242 | F197-L280 HydrophobicContact CE2-CD1 4.4Å; F197-L280 HydrophobicContact CE2-CG 3.97Å; G199-L280 PolarHBondContact O-N 3.11Å; A200-L280 WeakPolarHBondContact CA-O 3.35Å; A200-L280 HydrophobicContact CB-CB 3.83Å; A200-L280 HydrophobicContact CB-CD1 4.11Å; A200-L280 HydrophobicContact CB-CG 4.21Å; E201-L280 PolarHBondContact N-O 3.15Å; I204-L280 HydrophobicContact CD1-CB 3.75Å; I204-L280 HydrophobicContact CG2-CB 4.27Å; I204-L280 HydrophobicContact CG2-CD1 3.89Å; Y207-L280 HydrophobicContact CD1-CD1 3.63Å; Y207-L280 HydrophobicContact CD2-CD1 4.24Å; Y207-L280 HydrophobicContact CE1-CD1 3.86Å; Y207-L280 HydrophobicContact CE2-CD1 4.44Å; Y207-L280 HydrophobicContact CG-CD1 3.82Å; L236-L280 HydrophobicContact CD1-CD1 4.42Å; L236-L280 HydrophobicContact CD1-CD2 3.47Å; L236-L280 VanDerWaalsContact CD1-CD2 3.47Å; L236-L280 HydrophobicContact CD2-CD1 3.77Å; L236-L280 HydrophobicContact CD2-CD2 4.32Å; Q241-L280 WeakPolarHBondContact O-CA 3.34Å; V242-L280 HydrophobicContact CG2-CD2 3.95Å |
| 281 | V | 92.3 | Very high | 84.2 | Confident | 33 Ų | 33 | 65.8 Ų | 65.8 | 20% | 0.2 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 150.4 | -178.6 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | E201 Q241 | E201-V281 WeakPolarHBondContact OE2-CA 3.42Å; Q241-V281 HydrophobicContact CB-CG2 3.71Å; Q241-V281 PolarHBondContact N-O 2.72Å; Q241-V281 PolarHBondContact O-N 2.81Å |
| 282 | L | 87.4 | Confident | 84.3 | Confident | 68 Ų | 68 | 59.7 Ų | 59.7 | 36% | 0.356 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 150.1 | 172.1 | -69.1 | 176.2 | 0 | 0 | 0 | 109.4 | E201 I204 A284 | E201-L282 PolarHBondContact OE2-N 2.85Å; I204-L282 HydrophobicContact CD1-CD2 4.11Å; I204-L282 HydrophobicContact CD1-CG 4.11Å; I204-L282 HydrophobicContact CG1-CD2 3.78Å; I204-L282 HydrophobicContact CG1-CG 4.01Å; L282-A284 PolarHBondContact O-N 3Å |
| 283 | P | 80.3 | Confident | 84.5 | Confident | 53 Ų | 53 | 60.1 Ų | 60.1 | 34% | 0.344 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 125 | 175.7 | 20.4 | -14.1 | 0 | 0 | 0 | 107.9 | T239 H285 | T239-P283 WeakPolarHBondContact O-CD 3.39Å; T239-P283 WeakPolarHBondContact O-CG 3.4Å; P283-H285 PolarHBondContact O-N 3.13Å; P283-H285 VanDerWaalsContact O-N 3.12Å |
| 284 | A | 69.2 | Low | 84 | Confident | 92 Ų | 92 | 61.2 Ų | 61.2 | 76% | 0.76 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 121.6 | 174 | 0 | 0 | 0 | 0 | 0 | 109.2 | L282 M286 | L282-A284 PolarHBondContact O-N 3Å; A284-M286 PolarHBondContact O-N 3.25Å |
| 285 | H | 58.1 | Low | 83.3 | Confident | 197 Ų | 197 | 66.3 Ų | 66.3 | 91% | 0.912 | 37% | 0.367 | S | S | * | . | trans | -62.3 | 107.3 | 169.8 | -81.7 | -81 | 0 | 0 | 0 | 108 | P283 | P283-H285 PolarHBondContact O-N 3.13Å; P283-H285 VanDerWaalsContact O-N 3.12Å | ||
| 286 | M | 40.4 | Very low | 82.4 | Confident | 252 Ų | 252 | 70.8 Ų | 70.8 | 100% | 1.241 | 39% | 0.391 | S | S | * | . | trans | -83.7 | 0 | 161.3 | -68.6 | -166 | 82.2 | 0 | 0 | 110.2 | A284 | A284-M286 PolarHBondContact O-N 3.25Š|
Retrieved 286 of 286 residues in 581.5 ms
(Link to these results)