| 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 | 32.9 | Very low | 25.9 | Very low | 246 Ų | 246 | 163.5 Ų | 163.5 | 100% | 1.212 | 84% | 0.839 | S | S | * | * | 0 | 114.4 | 0 | -126.4 | 171.4 | 170.3 | 0 | 0 | 107.7 | |||||
| 2 | R | 30.2 | Very low | 25.9 | Very low | 239 Ų | 239 | 169.3 Ų | 169.3 | 90% | 0.902 | 84% | 0.842 | S | S | * | * | trans | 45.2 | 93.8 | 165.2 | -69.2 | -178.8 | 174.9 | 169.3 | -1.4 | 119.6 | ||||
| 3 | T | 24.2 | Very low | 25.7 | Very low | 144 Ų | 144 | 175.2 Ų | 175.2 | 88% | 0.883 | 85% | 0.849 | S | S | * | * | trans | -62.6 | 128.9 | 148 | 3.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 4 | V | 25.6 | Very low | 25.8 | Very low | 127 Ų | 127 | 172.4 Ų | 172.4 | 77% | 0.77 | 85% | 0.847 | S | S | * | * | trans | -133.8 | 113.9 | 161.6 | 178.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 5 | L | 24.1 | Very low | 25.8 | Very low | 160 Ų | 160 | 171.9 Ų | 171.9 | 84% | 0.838 | 85% | 0.849 | S | S | * | * | trans | -146.9 | 108.9 | 171 | -129.4 | 154.7 | 0 | 0 | 0 | 105.5 | ||||
| 6 | T | 24.4 | Very low | 25.7 | Very low | 138 Ų | 138 | 164.9 Ų | 164.9 | 85% | 0.847 | 83% | 0.834 | S | S | * | * | trans | -136.5 | 98.2 | 169.9 | 35.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 7 | R | 22.8 | Very low | 25.7 | Very low | 215 Ų | 215 | 162.1 Ų | 162.1 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | trans | -124.3 | 142.3 | 145.3 | -123 | -177.3 | 171.3 | 173.1 | -2.7 | 102.7 | ||||
| 8 | E | 25.3 | Very low | 25.6 | Very low | 141 Ų | 141 | 161.7 Ų | 161.7 | 66% | 0.659 | 83% | 0.827 | S | S | * | * | cis | -168.4 | 168.7 | 28.2 | -161.9 | 158.5 | -145.7 | 0 | 0 | 108.7 | ||||
| 9 | M | 23.6 | Very low | 25.5 | Very low | 171 Ų | 171 | 166 Ų | 166 | 84% | 0.842 | 83% | 0.832 | S | S | * | * | trans | -12.6 | 135.9 | 166.2 | -58.3 | 164.8 | 69.3 | 0 | 0 | 119.8 | ||||
| 10 | D | 26.3 | Very low | 25.5 | Very low | 157 Ų | 157 | 163.2 Ų | 163.2 | 84% | 0.84 | 83% | 0.829 | S | S | * | * | -151.1 | 134.9 | 125.5 | -158 | 6 | 0 | 0 | 0 | 111 | |||||
| 11 | G | 25.4 | Very low | 25.5 | Very low | 61 Ų | 61 | 158.5 Ų | 158.5 | 63% | 0.629 | 82% | 0.821 | S | S | * | * | trans | -97.5 | 137.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 12 | R | 25.8 | Very low | 25.3 | Very low | 232 Ų | 232 | 159.3 Ų | 159.3 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | trans | -135.7 | 107 | 156.9 | -82.8 | -177.3 | -179.2 | -169.1 | -0 | 110.4 | ||||
| 13 | R | 24.1 | Very low | 25.2 | Very low | 247 Ų | 247 | 159.7 Ų | 159.7 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | trans | -64.2 | 131 | 159.9 | -63.7 | -180 | -157.7 | -160.3 | 3.3 | 107.6 | ||||
| 14 | V | 27.3 | Very low | 25.4 | Very low | 136 Ų | 136 | 164.4 Ų | 164.4 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | trans | -115.9 | 110.3 | 161 | 178.6 | 0 | 0 | 0 | 0 | 107.2 | G16 | V14-G16 PolarHBondContact O-N 3.4Š| ||
| 15 | L | 25.1 | Very low | 25.4 | Very low | 165 Ų | 165 | 162.2 Ų | 162.2 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -64.2 | 117.6 | 171.7 | -73 | 149.9 | 0 | 0 | 0 | 109 | ||||
| 16 | G | 24.9 | Very low | 25.6 | Very low | 59 Ų | 59 | 162.8 Ų | 162.8 | 61% | 0.608 | 82% | 0.82 | S | S | * | * | trans | -94.4 | 131.6 | 166 | 0 | 0 | 0 | 0 | 0 | 109.9 | V14 I18 | V14-G16 PolarHBondContact O-N 3.4Å; G16-I18 PolarHBondContact O-N 2.83Å | ||
| 17 | P | 25.3 | Very low | 25.6 | Very low | 117 Ų | 117 | 161 Ų | 161 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | trans | -71.6 | 114.3 | 174.6 | 27.4 | -29.8 | 0 | 0 | 0 | 109.7 | W19 | P17-W19 PolarHBondContact O-N 2.85Š| ||
| 18 | I | 23.6 | Very low | 25.7 | Very low | 155 Ų | 155 | 157.6 Ų | 157.6 | 80% | 0.795 | 82% | 0.822 | S | S | * | * | trans | -75.5 | 108.8 | 164.6 | -64.3 | 169.6 | 0 | 0 | 0 | 106.6 | G16 S20 | G16-I18 PolarHBondContact O-N 2.83Å; I18-S20 PolarHBondContact O-N 2.95Å | ||
| 19 | W | 23.1 | Very low | 25.7 | Very low | 244 Ų | 244 | 155.5 Ų | 155.5 | 92% | 0.924 | 82% | 0.823 | S | S | * | * | trans | -83.9 | 93.7 | 165.8 | -91.5 | 33.3 | 0 | 0 | 0 | 108.9 | P17 | P17-W19 PolarHBondContact O-N 2.85Š| ||
| 20 | S | 26 | Very low | 25.7 | Very low | 110 Ų | 110 | 153.4 Ų | 153.4 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -84.6 | 122.9 | 164.3 | 47.6 | 0 | 0 | 0 | 0 | 108.7 | I18 | I18-S20 PolarHBondContact O-N 2.95Š| ||
| 21 | G | 25.4 | Very low | 25.7 | Very low | 64 Ų | 64 | 150.3 Ų | 150.3 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | trans | -167.2 | 34.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 22 | W | 28.6 | Very low | 25.7 | Very low | 264 Ų | 264 | 153.5 Ų | 153.5 | 100% | 1 | 83% | 0.826 | S | S | * | * | trans | -120 | 84.7 | 159.4 | -64.5 | 97.6 | 0 | 0 | 0 | 107.7 | ||||
| 23 | R | 28.1 | Very low | 25.8 | Very low | 246 Ų | 246 | 150.9 Ų | 150.9 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | trans | -87.6 | 118.4 | 170.7 | -80.2 | -96.8 | -141.2 | -115.6 | -1.9 | 108.6 | ||||
| 24 | R | 28.8 | Very low | 25.8 | Very low | 244 Ų | 244 | 146.2 Ų | 146.2 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -73.2 | 124.1 | 152.3 | -77.2 | -179.3 | -139.1 | -162.8 | 2.8 | 107.3 | ||||
| 25 | G | 25.9 | Very low | 25.7 | Very low | 80 Ų | 80 | 144 Ų | 144 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -111.1 | 106.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 26 | L | 27.2 | Very low | 25.7 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | -89 | 120.2 | 158.2 | -98.6 | 143.6 | 0 | 0 | 0 | 106.4 | ||||
| 27 | A | 24.9 | Very low | 25.7 | Very low | 101 Ų | 101 | 146.8 Ų | 146.8 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -153.4 | 120.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 28 | V | 25.7 | Very low | 25.7 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | -86.1 | 130.9 | 168.7 | 169.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 29 | S | 23.9 | Very low | 25.9 | Very low | 97 Ų | 97 | 145.4 Ų | 145.4 | 68% | 0.678 | 83% | 0.827 | S | S | * | * | trans | -176.7 | 123.4 | 133.8 | -159.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 30 | T | 24 | Very low | 26.1 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | 44.6 | 123.2 | 142.3 | 57.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 31 | A | 26.2 | Very low | 26.1 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -63.1 | 166.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 32 | P | 26.6 | Very low | 26.2 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | -132.8 | 160.5 | 103.5 | 34.6 | -22.5 | 0 | 0 | 0 | 114.8 | |||||
| 33 | E | 26.4 | Very low | 26.3 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -60.9 | 140.9 | 175 | -55.9 | -171.8 | 137.9 | 0 | 0 | 111.9 | ||||
| 34 | D | 25.2 | Very low | 26.5 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | 175.2 | 157.5 | 89.6 | -126.5 | -25.3 | 0 | 0 | 0 | 114 | |||||
| 35 | A | 25.2 | Very low | 26.4 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | 68.1 | 98.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 36 | G | 24.3 | Very low | 26.6 | Very low | 69 Ų | 69 | 143.4 Ų | 143.4 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | 87.7 | 103 | 120.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 37 | F | 25.3 | Very low | 26.7 | Very low | 212 Ų | 212 | 141 Ų | 141 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | 171.7 | 115.5 | 117.1 | -107.2 | -91 | 0 | 0 | 0 | 108.4 | I39 | F37-I39 PolarHBondContact O-N 2.88Š| |||
| 38 | G | 26.1 | Very low | 26.8 | Very low | 82 Ų | 82 | 148 Ų | 148 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -66.9 | 123.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 39 | I | 28 | Very low | 27.1 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -111 | 105.6 | 157.1 | -59.4 | 177.3 | 0 | 0 | 0 | 105.1 | F37 A41 | F37-I39 PolarHBondContact O-N 2.88Å; I39-A41 VanDerWaalsContact C-N 3.3Å; I39-A41 PolarHBondContact O-N 3.17Å | ||
| 40 | E | 25.9 | Very low | 27.9 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -58.9 | 96.7 | 167.7 | -80.1 | -172.6 | 149.5 | 0 | 0 | 108.6 | R42 | E40-R42 PolarHBondContact O-N 3.07Š| ||
| 41 | A | 25.8 | Very low | 28.7 | Very low | 77 Ų | 77 | 149.9 Ų | 149.9 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | -65.4 | 90.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | I39 H43 | I39-A41 VanDerWaalsContact C-N 3.3Å; I39-A41 PolarHBondContact O-N 3.17Å; A41-H43 VanDerWaalsContact C-N 3.28Å; A41-H43 PolarHBondContact O-N 3.1Å | ||
| 42 | R | 29.2 | Very low | 29.9 | Very low | 203 Ų | 203 | 148.4 Ų | 148.4 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | -65.1 | 95.7 | 168.8 | -68.8 | -171.5 | -168.2 | -164 | 3.5 | 107.9 | E40 H44 | E40-R42 PolarHBondContact O-N 3.07Å; R42-H44 PolarHBondContact O-N 2.92Å | ||
| 43 | H | 29.6 | Very low | 31.2 | Very low | 174 Ų | 174 | 153 Ų | 153 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | -49.4 | 108 | 162.5 | -74.6 | -80.5 | 0 | 0 | 0 | 108.2 | A41 R45 | A41-H43 VanDerWaalsContact C-N 3.28Å; A41-H43 PolarHBondContact O-N 3.1Å; H43-R45 PolarHBondContact O-N 2.82Å | ||
| 44 | H | 33.2 | Very low | 32.7 | Very low | 181 Ų | 181 | 147.7 Ų | 147.7 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -60.2 | 103.4 | 167.6 | -97.7 | 54.9 | 0 | 0 | 0 | 107.4 | R42 Q46 | R42-H44 PolarHBondContact O-N 2.92Å; H44-Q46 PolarHBondContact O-N 2.87Å; H44-Q46 VanDerWaalsContact O-N 3.07Å | ||
| 45 | R | 25.8 | Very low | 34.4 | Very low | 235 Ų | 235 | 142 Ų | 142 | 89% | 0.887 | 74% | 0.741 | S | S | * | * | trans | -63 | 109.5 | 165.7 | -77 | -175.9 | 172.8 | -178.4 | -0.9 | 106.7 | H43 | H43-R45 PolarHBondContact O-N 2.82Š| ||
| 46 | Q | 29.4 | Very low | 36.4 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | trans | -49.5 | 134.7 | 161.1 | -79 | 179.5 | -23 | 0 | 0 | 108.1 | H44 R48 | H44-Q46 PolarHBondContact O-N 2.87Å; H44-Q46 VanDerWaalsContact O-N 3.07Å; Q46-R48 PolarHBondContact O-N 2.71Å | ||
| 47 | P | 30 | Very low | 38.4 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 79% | 0.792 | 71% | 0.713 | S | S | * | * | trans | -55.7 | 127.2 | 168.5 | -16.9 | 29.2 | 0 | 0 | 0 | 107.3 | G49 | P47-G49 PolarHBondContact O-N 3.09Š| ||
| 48 | R | 26.9 | Very low | 40.4 | Very low | 248 Ų | 248 | 133.2 Ų | 133.2 | 94% | 0.936 | 69% | 0.692 | S | S | * | * | trans | -45.6 | 116 | 173.6 | -80 | 179.4 | 170.2 | -174.2 | -3.1 | 108.1 | Q46 S50 | Q46-R48 PolarHBondContact O-N 2.71Å; R48-S50 PolarHBondContact O-N 2.71Å; R48-S50 VanDerWaalsContact O-N 3.1Å | ||
| 49 | G | 32.9 | Very low | 42.6 | Very low | 69 Ų | 69 | 137.5 Ų | 137.5 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | trans | -52.5 | 118.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P47 R51 | P47-G49 PolarHBondContact O-N 3.09Å; G49-R51 PolarHBondContact O-N 2.94Å; G49-R51 VanDerWaalsContact O-N 3.16Å | ||
| 50 | S | 39.3 | Very low | 44.7 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | trans | -53.5 | 122.5 | 154.1 | 47.4 | 0 | 0 | 0 | 0 | 105.7 | R48 L52 | R48-S50 PolarHBondContact O-N 2.71Å; R48-S50 VanDerWaalsContact O-N 3.1Å; S50-L52 PolarHBondContact O-N 3.17Å | ||
| 51 | R | 40.6 | Very low | 47.3 | Very low | 237 Ų | 237 | 134.2 Ų | 134.2 | 89% | 0.894 | 69% | 0.685 | S | S | * | * | trans | -61 | 92.3 | 172.4 | -73.7 | -177 | -177.4 | -171.4 | 1 | 106.5 | G49 R53 | G49-R51 PolarHBondContact O-N 2.94Å; G49-R51 VanDerWaalsContact O-N 3.16Å; R51-R53 PolarHBondContact O-N 3.33Å | ||
| 52 | L | 51.8 | Low | 50.2 | Low | 61 Ų | 61 | 131.1 Ų | 131.1 | 32% | 0.319 | 66% | 0.657 | S | S | . | * | trans | -56.4 | 107.7 | 168.7 | -88.8 | 150.8 | 0 | 0 | 0 | 105.5 | S50 S54 P337 | S50-L52 PolarHBondContact O-N 3.17Å; L52-S54 PolarHBondContact O-N 3.06Å; L52-S54 VanDerWaalsContact O-N 3.16Å; L52-P337 HydrophobicContact CD2-CB 4.32Å | ||
| 53 | R | 53.7 | Low | 52.9 | Low | 225 Ų | 225 | 124.4 Ų | 124.4 | 85% | 0.849 | 64% | 0.64 | S | S | * | * | trans | -66 | 117.9 | 179.6 | -67.6 | -172 | -175.8 | -168.6 | 2.3 | 106.8 | R51 G55 | R51-R53 PolarHBondContact O-N 3.33Å; R53-G55 PolarHBondContact O-N 2.72Å; R53-G55 VanDerWaalsContact O-N 3.13Å | ||
| 54 | S | 58 | Low | 55.4 | Low | 63 Ų | 63 | 117.9 Ų | 117.9 | 44% | 0.441 | 62% | 0.62 | S | S | . | * | trans | -70.7 | 6 | 171.6 | 49.8 | 0 | 0 | 0 | 0 | 113.1 | L52 H299 | L52-S54 PolarHBondContact O-N 3.06Å; L52-S54 VanDerWaalsContact O-N 3.16Å; S54-H299 PolarHBondContact O-CD2 3.38Å | ||
| 55 | G | 61 | Low | 58 | Low | 31 Ų | 31 | 112.1 Ų | 112.1 | 32% | 0.32 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -65.4 | 176.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R53 L57 R341 | R53-G55 PolarHBondContact O-N 2.72Å; R53-G55 VanDerWaalsContact O-N 3.13Å; G55-L57 PolarHBondContact O-N 3.16Å; G55-R341 PolarHBondContact O-NH2 3.26Å |
| 56 | P | 66.9 | Low | 60.9 | Low | 115 Ų | 115 | 102.9 Ų | 102.9 | 75% | 0.747 | 56% | 0.563 | S | S | * | * | trans | -52.9 | 132.4 | 179.2 | -23.1 | 32.5 | 0 | 0 | 0 | 111.2 | G58 | P56-G58 PolarHBondContact O-N 3.48Š| ||
| 57 | L | 67.3 | Low | 63.6 | Low | 25 Ų | 25 | 98.3 Ų | 98.3 | 13% | 0.131 | 55% | 0.549 | C | S | . | . | trans | -67.1 | 127.3 | 159 | -109.1 | 83 | 0 | 0 | 0 | 105.6 | G55 F62 L300 Q304 R341 | G55-L57 PolarHBondContact O-N 3.16Å; L57-F62 HydrophobicContact CD1-CE1 4.49Å; L57-F62 HydrophobicContact CD2-CD1 3.59Å; L57-F62 HydrophobicContact CD2-CD2 4.32Å; L57-F62 HydrophobicContact CD2-CE1 3.58Å; L57-F62 HydrophobicContact CD2-CE2 4.32Å; L57-F62 HydrophobicContact CD2-CG 3.97Å; L57-F62 HydrophobicContact CD2-CZ 3.96Å; L57-L300 HydrophobicContact CB-CD2 4.39Å; L57-Q304 PolarHBondContact O-NE2 2.98Å; L57-R341 VanDerWaalsContact CD1-NE 3.27Å | ||
| 58 | G | 67.8 | Low | 66 | Low | 47 Ų | 47 | 102.5 Ų | 102.5 | 49% | 0.485 | 55% | 0.554 | S | S | . | * | trans | -71.8 | -154.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P56 Q60 Q304 | P56-G58 PolarHBondContact O-N 3.48Å; G58-Q60 PolarHBondContact O-N 3.02Å; G58-Q304 PolarHBondContact O-NE2 3.26Å | ||
| 59 | D | 70.9 | Confident | 68.7 | Low | 172 Ų | 172 | 98.3 Ų | 98.3 | 92% | 0.92 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -76 | 13.3 | 175.7 | -65.5 | -32.1 | 0 | 0 | 0 | 114.1 | ||
| 60 | Q | 73.8 | Confident | 71.4 | Confident | 156 Ų | 156 | 96.3 Ų | 96.3 | 73% | 0.729 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -81.7 | 148 | -179.2 | -66.9 | -159.6 | -3 | 0 | 0 | 112.2 | G58 | G58-Q60 PolarHBondContact O-N 3.02Š|
| 61 | P | 80.4 | Confident | 74 | Confident | 98 Ų | 98 | 93.5 Ų | 93.5 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 154.2 | 174.1 | 26.7 | -34.4 | 0 | 0 | 0 | 111.4 | ||
| 62 | F | 86.5 | Confident | 76.6 | Confident | 11 Ų | 11 | 86 Ų | 86 | 5% | 0.048 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 129.6 | 178.3 | -75.4 | -89.8 | 0 | 0 | 0 | 111.3 | L57 G64 L65 L300 Q307 L308 P309 | L57-F62 HydrophobicContact CD1-CE1 4.49Å; L57-F62 HydrophobicContact CD2-CD1 3.59Å; L57-F62 HydrophobicContact CD2-CD2 4.32Å; L57-F62 HydrophobicContact CD2-CE1 3.58Å; L57-F62 HydrophobicContact CD2-CE2 4.32Å; L57-F62 HydrophobicContact CD2-CG 3.97Å; L57-F62 HydrophobicContact CD2-CZ 3.96Å; F62-G64 PolarHBondContact O-N 2.96Å; F62-L65 HydrophobicContact CB-CD1 4.04Å; F62-L65 HydrophobicContact CB-CG 4.3Å; F62-L65 WeakPolarHBondContact O-CG 3.23Å; F62-L65 PolarHBondContact O-N 2.95Å; F62-L300 HydrophobicContact CE1-CD1 4.48Å; F62-L300 HydrophobicContact CE1-CD2 4.06Å; F62-L300 HydrophobicContact CZ-CD1 4.24Å; F62-L300 HydrophobicContact CZ-CD2 3.92Å; F62-Q307 HydrophobicContact CE2-CB 4.39Å; F62-L308 HydrophobicContact CD1-CD1 4.27Å; F62-L308 HydrophobicContact CE1-CD1 3.47Å; F62-L308 VanDerWaalsContact CE1-CD1 3.47Å; F62-L308 HydrophobicContact CE2-CD1 4.22Å; F62-L308 HydrophobicContact CZ-CB 4.47Å; F62-L308 HydrophobicContact CZ-CD1 3.44Å; F62-L308 VanDerWaalsContact CZ-CD1 3.44Å; F62-P309 HydrophobicContact CB-CG 3.64Å; F62-P309 HydrophobicContact CD1-CG 4.48Å; F62-P309 HydrophobicContact CD2-CG 4.1Å; F62-P309 HydrophobicContact CG-CG 3.83Å |
| 63 | P | 85.4 | Confident | 78.6 | Confident | 63 Ų | 63 | 88.9 Ų | 88.9 | 41% | 0.409 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 136.6 | 180 | -26.5 | 35.2 | 0 | 0 | 0 | 112.8 | P337 Y338 | P63-P337 HydrophobicContact CB-CB 3.86Å; P63-Y338 PolarHBondContact O-N 3.22Å |
| 64 | G | 81.8 | Confident | 80.6 | Confident | 37 Ų | 37 | 83 Ų | 83 | 38% | 0.381 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | 5.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | F62 | F62-G64 PolarHBondContact O-N 2.96Š|
| 65 | L | 88.1 | Confident | 82.4 | Confident | 59 Ų | 59 | 80 Ų | 80 | 31% | 0.309 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 153.9 | 166.8 | -64.4 | -176.7 | 0 | 0 | 0 | 111.6 | F62 Q97 P309 Y338 | F62-L65 HydrophobicContact CB-CD1 4.04Å; F62-L65 HydrophobicContact CB-CG 4.3Å; F62-L65 WeakPolarHBondContact O-CG 3.23Å; F62-L65 PolarHBondContact O-N 2.95Å; L65-Q97 HydrophobicContact CD2-CB 4.22Å; L65-P309 HydrophobicContact CD1-CG 3.93Å; L65-P309 HydrophobicContact CD2-CB 4.03Å; L65-P309 HydrophobicContact CD2-CG 3.88Å; L65-P309 HydrophobicContact CG-CG 4.09Å; L65-Y338 HydrophobicContact CD2-CE1 4.42Å |
| 66 | L | 87.3 | Confident | 84.1 | Confident | 42 Ų | 42 | 79 Ų | 79 | 22% | 0.22 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 139.5 | 167 | -68.3 | 174.6 | 0 | 0 | 0 | 110.6 | L70 L75 A78 P96 L99 | L66-L70 HydrophobicContact CD2-CD1 4.18Å; L66-L75 HydrophobicContact CD1-CD1 3.92Å; L66-A78 HydrophobicContact CD2-CB 3.89Å; L66-P96 HydrophobicContact CD1-CB 4.46Å; L66-P96 HydrophobicContact CD1-CG 3.59Å; L66-P96 HydrophobicContact CD2-CG 3.85Å; L66-P96 HydrophobicContact CG-CB 3.99Å; L66-P96 HydrophobicContact CG-CG 3.47Å; L66-P96 VanDerWaalsContact CG-CG 3.47Å; L66-L99 HydrophobicContact CD1-CB 3.94Å; L66-L99 HydrophobicContact CD1-CD1 4.31Å |
| 67 | P | 85.8 | Confident | 85.5 | Confident | 83 Ų | 83 | 77.6 Ų | 77.6 | 54% | 0.539 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -50.6 | 148.7 | 163.3 | -28.5 | 32.3 | 0 | 0 | 0 | 113.1 | L70 | P67-L70 HydrophobicContact CB-CD1 3.93Å; P67-L70 VanDerWaalsContact CD-CD1 3.44Å; P67-L70 HydrophobicContact CG-CD1 3.72Å |
| 68 | K | 79.1 | Confident | 86.8 | Confident | 210 Ų | 210 | 78.1 Ų | 78.1 | 91% | 0.913 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -37.1 | -177.5 | -70 | -176.8 | 179.9 | 176.4 | 0 | 113.6 | ||
| 69 | N | 83.6 | Confident | 88.2 | Confident | 159 Ų | 159 | 75.9 Ų | 75.9 | 85% | 0.85 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | 59.2 | -174.8 | -63.7 | -14.6 | 0 | 0 | 0 | 109.6 | ||
| 70 | L | 89.6 | Confident | 89.4 | Confident | 27 Ų | 27 | 72.8 Ų | 72.8 | 14% | 0.141 | 38% | 0.383 | C | S | . | . | trans | -86.2 | 137.4 | -174.5 | -162.4 | 121.1 | 0 | 0 | 0 | 110 | L66 P67 E74 L75 L108 | L66-L70 HydrophobicContact CD2-CD1 4.18Å; P67-L70 HydrophobicContact CB-CD1 3.93Å; P67-L70 VanDerWaalsContact CD-CD1 3.44Å; P67-L70 HydrophobicContact CG-CD1 3.72Å; L70-E74 WeakPolarHBondContact CA-OE2 3.43Å; L70-E74 HydrophobicContact CD1-CB 4.18Å; L70-E74 HydrophobicContact CD2-CB 3.87Å; L70-E74 HydrophobicContact CG-CB 3.63Å; L70-L75 HydrophobicContact CD2-CB 3.41Å; L70-L75 VanDerWaalsContact CD2-CB 3.41Å; L70-L75 HydrophobicContact CD2-CD1 4.13Å; L70-L75 HydrophobicContact CD2-CG 4.32Å; L70-L108 WeakPolarHBondContact O-CD1 3.46Å | ||
| 71 | S | 94.3 | Very high | 90.5 | Very high | 43 Ų | 43 | 69.6 Ų | 69.6 | 30% | 0.301 | 38% | 0.383 | S | S | . | . | trans | -72.9 | 165 | 174.7 | 102.6 | 0 | 0 | 0 | 0 | 111.3 | E73 E74 L75 | S71-E73 VanDerWaalsContact C-N 3.31Å; S71-E73 WeakPolarHBondContact CB-OE2 3.45Å; S71-E73 PolarHBondContact O-N 3.4Å; S71-E73 PolarHBondContact OG-N 2.72Å; S71-E73 PolarHBondContact OG-OE2 3.35Å; S71-E74 PolarHBondContact N-OE2 2.93Å; S71-E74 PolarHBondContact O-N 3.36Å; S71-E74 PolarHBondContact OG-N 3.49Å; S71-E74 VanDerWaalsContact OG-N 3.13Å; S71-L75 PolarHBondContact O-N 3.28Å | ||
| 72 | R | 94.9 | Very high | 91.2 | Very high | 80 Ų | 80 | 65.9 Ų | 65.9 | 30% | 0.302 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 175.5 | 173.9 | 172.2 | -76.4 | -83.5 | -7.4 | 111.5 | L75 V76 L108 S112 V113 E116 | R72-L75 WeakPolarHBondContact O-CB 3.4Å; R72-L75 PolarHBondContact O-N 3.35Å; R72-V76 WeakPolarHBondContact O-CG2 3.45Å; R72-V76 PolarHBondContact O-N 3.08Å; R72-V76 VanDerWaalsContact O-N 3.1Å; R72-L108 HydrophobicContact CB-CD2 4.07Å; R72-S112 PolarHBondContact NH1-O 2.87Å; R72-V113 HydrophobicContact CG-CG1 4.18Å; R72-E116 WeakPolarHBondContact CD-OE1 3.28Å; R72-E116 IonicContact CZ-OE1 3.87Å; R72-E116 IonicContact NE-OE1 3.03Å; R72-E116 IonicContact NH1-OE1 3.54Å; R72-E116 PolarHBondContact NH1-OE1 3.26Å; R72-E116 IonicContact NH1-OE2 2.72Å |
| 73 | E | 95.6 | Very high | 91.7 | Very high | 120 Ų | 120 | 67.1 Ų | 67.1 | 56% | 0.561 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.5 | -46.3 | 179.2 | -58.3 | 69.7 | -148.3 | 0 | 0 | 110.7 | S71 L75 V76 D77 | S71-E73 VanDerWaalsContact C-N 3.31Å; S71-E73 WeakPolarHBondContact CB-OE2 3.45Å; S71-E73 PolarHBondContact O-N 3.4Å; S71-E73 PolarHBondContact OG-N 2.72Å; S71-E73 PolarHBondContact OG-OE2 3.35Å; E73-L75 PolarHBondContact O-N 3.01Å; E73-V76 WeakPolarHBondContact O-CB 3.19Å; E73-V76 PolarHBondContact O-N 3.15Å; E73-V76 VanDerWaalsContact O-N 3.13Å; E73-D77 PolarHBondContact O-N 3.36Å |
| 74 | E | 95.6 | Very high | 92.2 | Very high | 101 Ų | 101 | 67 Ų | 67 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.3 | -34 | 175.1 | -69.6 | 177.9 | 149.1 | 0 | 0 | 111.8 | L70 S71 A78 | L70-E74 WeakPolarHBondContact CA-OE2 3.43Å; L70-E74 HydrophobicContact CD1-CB 4.18Å; L70-E74 HydrophobicContact CD2-CB 3.87Å; L70-E74 HydrophobicContact CG-CB 3.63Å; S71-E74 PolarHBondContact N-OE2 2.93Å; S71-E74 PolarHBondContact O-N 3.36Å; S71-E74 PolarHBondContact OG-N 3.49Å; S71-E74 VanDerWaalsContact OG-N 3.13Å; E74-A78 VanDerWaalsContact O-CB 3.31Å; E74-A78 WeakPolarHBondContact O-CB 3.19Å; E74-A78 PolarHBondContact O-N 2.77Å |
| 75 | L | 95.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.4 | -43.3 | 177.2 | -178 | 54.5 | 0 | 0 | 0 | 111 | L66 L70 S71 R72 E73 D77 A78 L79 L99 L108 V113 | L66-L75 HydrophobicContact CD1-CD1 3.92Å; L70-L75 HydrophobicContact CD2-CB 3.41Å; L70-L75 VanDerWaalsContact CD2-CB 3.41Å; L70-L75 HydrophobicContact CD2-CD1 4.13Å; L70-L75 HydrophobicContact CD2-CG 4.32Å; S71-L75 PolarHBondContact O-N 3.28Å; R72-L75 WeakPolarHBondContact O-CB 3.4Å; R72-L75 PolarHBondContact O-N 3.35Å; E73-L75 PolarHBondContact O-N 3.01Å; L75-D77 VanDerWaalsContact C-N 3.32Å; L75-A78 PolarHBondContact O-N 2.82Å; L75-L79 HydrophobicContact CD1-CD1 4.13Å; L75-L79 HydrophobicContact CD1-CG 4.09Å; L75-L79 HydrophobicContact CG-CD1 4.05Å; L75-L79 HydrophobicContact CG-CG 4.44Å; L75-L79 WeakPolarHBondContact O-CB 3.43Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.45Å; L75-L79 PolarHBondContact O-N 3.35Å; L75-L99 HydrophobicContact CD1-CD1 3.79Å; L75-L99 HydrophobicContact CD1-CD2 3.96Å; L75-L99 HydrophobicContact CD2-CD1 3.74Å; L75-L99 HydrophobicContact CG-CD1 4.43Å; L75-L108 HydrophobicContact CD2-CB 4.14Å; L75-V113 HydrophobicContact CD2-CG1 3.77Å; L75-V113 HydrophobicContact CD2-CG2 3.99Å; L75-V113 HydrophobicContact CG-CG1 4.34Å; L75-V113 HydrophobicContact CG-CG2 4.16Å |
| 76 | V | 96.5 | Very high | 93.1 | Very high | 10 Ų | 10 | 69.9 Ų | 69.9 | 6% | 0.061 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 176.9 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | R72 E73 L79 R80 V113 E116 | R72-V76 WeakPolarHBondContact O-CG2 3.45Å; R72-V76 PolarHBondContact O-N 3.08Å; R72-V76 VanDerWaalsContact O-N 3.1Å; E73-V76 WeakPolarHBondContact O-CB 3.19Å; E73-V76 PolarHBondContact O-N 3.15Å; E73-V76 VanDerWaalsContact O-N 3.13Å; V76-L79 PolarHBondContact O-N 2.94Å; V76-R80 WeakPolarHBondContact O-CB 3.33Å; V76-R80 PolarHBondContact O-N 3.01Å; V76-V113 HydrophobicContact CG2-CB 3.95Å; V76-V113 HydrophobicContact CG2-CG1 4.44Å; V76-E116 HydrophobicContact CG1-CB 4.47Å; V76-E116 HydrophobicContact CG2-CB 3.62Å |
| 77 | D | 96 | Very high | 93.2 | Very high | 85 Ų | 85 | 73.7 Ų | 73.7 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 177.4 | -74.7 | -22.6 | 0 | 0 | 0 | 111.9 | E73 L75 L79 R80 A81 | E73-D77 PolarHBondContact O-N 3.36Å; L75-D77 VanDerWaalsContact C-N 3.32Å; D77-L79 PolarHBondContact O-N 3.47Å; D77-R80 PolarHBondContact O-N 3.36Å; D77-R80 IonicContact OD1-CZ 3.61Å; D77-R80 IonicContact OD1-NH1 2.71Å; D77-R80 PolarHBondContact OD1-NH1 2.88Å; D77-R80 IonicContact OD1-NH2 3.94Å; D77-A81 WeakPolarHBondContact O-CB 3.35Å; D77-A81 PolarHBondContact O-N 3.47Å |
| 78 | A | 95.3 | Very high | 93.4 | Very high | 36 Ų | 36 | 73.6 Ų | 73.6 | 30% | 0.298 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L66 E74 L75 A81 A82 | L66-A78 HydrophobicContact CD2-CB 3.89Å; E74-A78 VanDerWaalsContact O-CB 3.31Å; E74-A78 WeakPolarHBondContact O-CB 3.19Å; E74-A78 PolarHBondContact O-N 2.77Å; L75-A78 PolarHBondContact O-N 2.82Å; A78-A81 PolarHBondContact O-N 3.48Å; A78-A82 VanDerWaalsContact O-CB 3.29Å; A78-A82 WeakPolarHBondContact O-CB 2.95Å; A78-A82 PolarHBondContact O-N 2.83Å |
| 79 | L | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71 | -37.5 | 177.2 | -71.8 | 174.9 | 0 | 0 | 0 | 112.5 | L75 V76 D77 A81 A82 V83 L93 L99 L110 V113 L117 | L75-L79 HydrophobicContact CD1-CD1 4.13Å; L75-L79 HydrophobicContact CD1-CG 4.09Å; L75-L79 HydrophobicContact CG-CD1 4.05Å; L75-L79 HydrophobicContact CG-CG 4.44Å; L75-L79 WeakPolarHBondContact O-CB 3.43Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.45Å; L75-L79 PolarHBondContact O-N 3.35Å; V76-L79 PolarHBondContact O-N 2.94Å; D77-L79 PolarHBondContact O-N 3.47Å; L79-A81 VanDerWaalsContact C-N 3.34Å; L79-A82 PolarHBondContact O-N 3.15Å; L79-A82 VanDerWaalsContact O-N 3.15Å; L79-V83 PolarHBondContact O-N 3.48Å; L79-L93 HydrophobicContact CD2-CD1 4.39Å; L79-L99 HydrophobicContact CD1-CD2 4.24Å; L79-L99 HydrophobicContact CD2-CD2 3.8Å; L79-L99 HydrophobicContact CG-CD2 4.4Å; L79-L110 HydrophobicContact CD1-CD1 3.92Å; L79-L110 HydrophobicContact CD2-CD1 4.32Å; L79-V113 HydrophobicContact CD1-CG2 3.54Å; L79-L117 HydrophobicContact CB-CD1 3.99Å; L79-L117 HydrophobicContact CB-CD2 4.17Å; L79-L117 HydrophobicContact CD1-CD2 4.32Å |
| 80 | R | 96.3 | Very high | 94.6 | Very high | 106 Ų | 106 | 59.7 Ų | 59.7 | 40% | 0.4 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 172.7 | -172.8 | -160.4 | -77.3 | 128.2 | 5.4 | 110.2 | V76 D77 A82 V83 L117 S120 L121 | V76-R80 WeakPolarHBondContact O-CB 3.33Å; V76-R80 PolarHBondContact O-N 3.01Å; D77-R80 PolarHBondContact O-N 3.36Å; D77-R80 IonicContact OD1-CZ 3.61Å; D77-R80 IonicContact OD1-NH1 2.71Å; D77-R80 PolarHBondContact OD1-NH1 2.88Å; D77-R80 IonicContact OD1-NH2 3.94Å; R80-A82 PolarHBondContact O-N 3.09Å; R80-V83 WeakPolarHBondContact O-CB 3.35Å; R80-V83 WeakPolarHBondContact O-CG2 3.38Å; R80-V83 PolarHBondContact O-N 2.59Å; R80-L117 HydrophobicContact CB-CD1 4.4Å; R80-S120 PolarHBondContact NE-O 3.17Å; R80-S120 VanDerWaalsContact NE-O 3.09Å; R80-S120 PolarHBondContact NE-OG 3.44Å; R80-S120 PolarHBondContact NH2-OG 3.03Å; R80-L121 HydrophobicContact CG-CD2 4.01Å |
| 81 | A | 95.6 | Very high | 95 | Very high | 89 Ų | 89 | 58.5 Ų | 58.5 | 74% | 0.736 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.9 | -24.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D77 A78 L79 V83 | D77-A81 WeakPolarHBondContact O-CB 3.35Å; D77-A81 PolarHBondContact O-N 3.47Å; A78-A81 PolarHBondContact O-N 3.48Å; L79-A81 VanDerWaalsContact C-N 3.34Å; A81-V83 VanDerWaalsContact C-N 3.32Å |
| 82 | A | 96.3 | Very high | 95.1 | Very high | 20 Ų | 20 | 56.6 Ų | 56.6 | 17% | 0.165 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 0.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A78 L79 R80 V84 L93 N94 | A78-A82 VanDerWaalsContact O-CB 3.29Å; A78-A82 WeakPolarHBondContact O-CB 2.95Å; A78-A82 PolarHBondContact O-N 2.83Å; L79-A82 PolarHBondContact O-N 3.15Å; L79-A82 VanDerWaalsContact O-N 3.15Å; R80-A82 PolarHBondContact O-N 3.09Å; A82-V84 PolarHBondContact O-N 3.3Å; A82-L93 CarbonylContact O-C 3.58Å; A82-L93 WeakPolarHBondContact O-CA 3.49Å; A82-N94 WeakPolarHBondContact CB-O 3.33Å; A82-N94 PolarHBondContact O-N 2.58Å |
| 83 | V | 96.9 | Very high | 95.2 | Very high | 38 Ų | 38 | 52.8 Ų | 52.8 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 123.2 | 174.4 | 176.7 | 0 | 0 | 0 | 0 | 109.9 | L79 R80 A81 R86 V91 L93 L121 | L79-V83 PolarHBondContact O-N 3.48Å; R80-V83 WeakPolarHBondContact O-CB 3.35Å; R80-V83 WeakPolarHBondContact O-CG2 3.38Å; R80-V83 PolarHBondContact O-N 2.59Å; A81-V83 VanDerWaalsContact C-N 3.32Å; V83-R86 HydrophobicContact CG1-CG 3.68Å; V83-V91 HydrophobicContact CG1-CG1 4.43Å; V83-V91 HydrophobicContact CG2-CG1 4.42Å; V83-L93 HydrophobicContact CB-CD2 4.06Å; V83-L93 HydrophobicContact CG2-CD2 3.34Å; V83-L121 HydrophobicContact CG2-CD1 4.49Å; V83-L121 HydrophobicContact CG2-CD2 3.77Å |
| 84 | V | 96.3 | Very high | 95.3 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 36% | 0.358 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -39.4 | 178.9 | -175 | 0 | 0 | 0 | 0 | 111.7 | A82 T92 N94 L332 | A82-V84 PolarHBondContact O-N 3.3Å; V84-T92 PolarHBondContact N-O 3.21Å; V84-N94 HydrophobicContact CG2-CB 3.64Å; V84-L332 WeakPolarHBondContact CG1-O 3.3Å |
| 85 | D | 94.7 | Very high | 95.3 | Very high | 40 Ų | 40 | 43.6 Ų | 43.6 | 21% | 0.214 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 147.3 | -176.9 | -169.9 | 32.5 | 0 | 0 | 0 | 111.2 | K87 T92 | D85-K87 WeakPolarHBondContact OD1-CE 3.48Å; D85-K87 IonicContact OD1-NZ 3.48Å; D85-K87 PolarHBondContact OD1-NZ 3.25Å; D85-K87 VanDerWaalsContact OD2-CD 3.28Å; D85-K87 WeakPolarHBondContact OD2-CD 3.49Å; D85-K87 VanDerWaalsContact OD2-CE 3.23Å; D85-K87 WeakPolarHBondContact OD2-CE 3.46Å; D85-K87 IonicContact OD2-NZ 2.72Å; D85-K87 PolarHBondContact OD2-NZ 2.87Å; D85-T92 PolarHBondContact N-O 3.34Å; D85-T92 PolarHBondContact O-N 3.22Å |
| 86 | R | 93.3 | Very high | 95.3 | Very high | 117 Ų | 117 | 44.5 Ų | 44.5 | 44% | 0.442 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 113.1 | 174.7 | -69.3 | -179 | 64.9 | 174.2 | 2.7 | 108.9 | V83 L90 V91 L121 | V83-R86 HydrophobicContact CG1-CG 3.68Å; R86-L90 WeakPolarHBondContact CA-O 3.5Å; R86-V91 HydrophobicContact CG-CG1 4.39Å; R86-V91 HydrophobicContact CG-CG2 4.34Å; R86-L121 VanDerWaalsContact CZ-O 3.28Å; R86-L121 PolarHBondContact NH1-O 3.31Å; R86-L121 PolarHBondContact NH2-O 2.93Å |
| 87 | K | 89.7 | Confident | 95.2 | Very high | 123 Ų | 123 | 45.2 Ų | 45.2 | 54% | 0.535 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 113.9 | -178.2 | -73 | -178.4 | -177 | 128.7 | 0 | 110.9 | D85 L90 | D85-K87 WeakPolarHBondContact OD1-CE 3.48Å; D85-K87 IonicContact OD1-NZ 3.48Å; D85-K87 PolarHBondContact OD1-NZ 3.25Å; D85-K87 VanDerWaalsContact OD2-CD 3.28Å; D85-K87 WeakPolarHBondContact OD2-CD 3.49Å; D85-K87 VanDerWaalsContact OD2-CE 3.23Å; D85-K87 WeakPolarHBondContact OD2-CE 3.46Å; D85-K87 IonicContact OD2-NZ 2.72Å; D85-K87 PolarHBondContact OD2-NZ 2.87Å; K87-L90 PolarHBondContact N-O 2.93Å; K87-L90 WeakPolarHBondContact O-CB 3.42Å; K87-L90 PolarHBondContact O-N 3.13Å |
| 88 | G | 89.6 | Confident | 95 | Very high | 80 Ų | 80 | 42.9 Ų | 42.9 | 83% | 0.825 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | -125.2 | -175 | 0 | 0 | 0 | 0 | 0 | 110.5 | L90 | G88-L90 VanDerWaalsContact C-N 3.27Å; G88-L90 PolarHBondContact O-N 3.49Å |
| 89 | P | 92.9 | Very high | 95 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 29% | 0.286 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -5.1 | 179.1 | 34.1 | -36.3 | 0 | 0 | 0 | 114 | S145 S146 C147 T150 | P89-S145 CarbonylContact O-C 3.55Å; P89-S145 VanDerWaalsContact O-CA 3.23Å; P89-S145 WeakPolarHBondContact O-CA 3.42Å; P89-S146 PolarHBondContact O-N 3.13Å; P89-C147 HydrophobicContact CB-CB 3.56Å; P89-C147 HydrophobicContact CG-CB 4.29Å; P89-T150 HydrophobicContact CG-CG2 4.04Å |
| 90 | L | 95.7 | Very high | 94.9 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135.4 | -173.7 | -58.5 | -178.6 | 0 | 0 | 0 | 111.9 | R86 K87 G88 L143 L144 T150 L154 L319 | R86-L90 WeakPolarHBondContact CA-O 3.5Å; K87-L90 PolarHBondContact N-O 2.93Å; K87-L90 WeakPolarHBondContact O-CB 3.42Å; K87-L90 PolarHBondContact O-N 3.13Å; G88-L90 VanDerWaalsContact C-N 3.27Å; G88-L90 PolarHBondContact O-N 3.49Å; L90-L143 HydrophobicContact CB-CD1 4.38Å; L90-L143 HydrophobicContact CD2-CD1 4.33Å; L90-L144 WeakPolarHBondContact CA-O 3.44Å; L90-T150 HydrophobicContact CD2-CG2 3.73Å; L90-L154 HydrophobicContact CD1-CD1 4.4Å; L90-L154 HydrophobicContact CD2-CD1 3.68Å; L90-L319 HydrophobicContact CD1-CD1 3.95Å |
| 91 | V | 97 | Very high | 94.8 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.6 | 170.6 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | V83 R86 L93 L121 L123 L128 L144 | V83-V91 HydrophobicContact CG1-CG1 4.43Å; V83-V91 HydrophobicContact CG2-CG1 4.42Å; R86-V91 HydrophobicContact CG-CG1 4.39Å; R86-V91 HydrophobicContact CG-CG2 4.34Å; V91-L93 HydrophobicContact CG1-CD2 3.76Å; V91-L93 HydrophobicContact CG1-CG 4.45Å; V91-L121 HydrophobicContact CG1-CD1 4.02Å; V91-L123 HydrophobicContact CG2-CD1 4.26Å; V91-L128 HydrophobicContact CG2-CD2 4.13Å; V91-L144 HydrophobicContact CB-CB 4.25Å; V91-L144 PolarHBondContact N-O 3.47Å; V91-L144 PolarHBondContact O-N 2.71Å |
| 92 | T | 97.5 | Very high | 94.8 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 126.1 | 178.6 | -56.6 | 0 | 0 | 0 | 0 | 109.3 | V84 D85 L141 V142 L331 | V84-T92 PolarHBondContact N-O 3.21Å; D85-T92 PolarHBondContact N-O 3.34Å; D85-T92 PolarHBondContact O-N 3.22Å; T92-L141 HydrophobicContact CG2-CD2 3.31Å; T92-V142 CarbonylContact C-O 3.56Å; T92-V142 WeakPolarHBondContact CA-O 3.48Å; T92-L331 HydrophobicContact CG2-CB 4.5Å; T92-L331 HydrophobicContact CG2-CD1 4.25Å |
| 93 | L | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 153 | 179 | -45.2 | 175.6 | 0 | 0 | 0 | 110.8 | L79 A82 V83 V91 L110 L117 L141 V142 L144 | L79-L93 HydrophobicContact CD2-CD1 4.39Å; A82-L93 CarbonylContact O-C 3.58Å; A82-L93 WeakPolarHBondContact O-CA 3.49Å; V83-L93 HydrophobicContact CB-CD2 4.06Å; V83-L93 HydrophobicContact CG2-CD2 3.34Å; V91-L93 HydrophobicContact CG1-CD2 3.76Å; V91-L93 HydrophobicContact CG1-CG 4.45Å; L93-L110 HydrophobicContact CD1-CD1 4.29Å; L93-L117 HydrophobicContact CD1-CD2 3.96Å; L93-L141 CarbonylContact O-C 3.46Å; L93-L141 WeakPolarHBondContact O-CA 3.49Å; L93-V142 HydrophobicContact CB-CB 4.2Å; L93-V142 HydrophobicContact CD1-CG1 4.46Å; L93-V142 PolarHBondContact N-O 3.48Å; L93-V142 PolarHBondContact O-N 3.35Å; L93-L144 HydrophobicContact CD1-CD1 3.7Å; L93-L144 HydrophobicContact CD1-CG 4.42Å; L93-L144 HydrophobicContact CG-CD1 4.25Å |
| 94 | N | 97.6 | Very high | 94 | Very high | 27 Ų | 27 | 46.2 Ų | 46.2 | 14% | 0.144 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 86.2 | 165.4 | -172.6 | 5 | 0 | 0 | 0 | 109.9 | A82 V84 G140 H313 A333 P334 | A82-N94 WeakPolarHBondContact CB-O 3.33Å; A82-N94 PolarHBondContact O-N 2.58Å; V84-N94 HydrophobicContact CG2-CB 3.64Å; N94-G140 VanDerWaalsContact OD1-CA 3.29Å; N94-G140 WeakPolarHBondContact OD1-CA 3.41Å; N94-H313 PolarHBondContact OD1-CE1 2.8Å; N94-A333 HydrophobicContact CB-CB 4.28Å; N94-P334 PolarHBondContact ND2-O 2.75Å |
| 95 | K | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 130.1 | -176.2 | -171.7 | -171.5 | 67.1 | 70 | 0 | 110.5 | L99 S134 G135 S138 S139 G140 V142 | K95-L99 HydrophobicContact CD-CB 4.15Å; K95-L99 HydrophobicContact CD-CD2 4.17Å; K95-L99 HydrophobicContact CD-CG 4.37Å; K95-L99 HydrophobicContact CG-CB 4.11Å; K95-L99 HydrophobicContact CG-CD2 3.91Å; K95-L99 HydrophobicContact CG-CG 4.46Å; K95-L99 PolarHBondContact NZ-O 3.5Å; K95-S134 WeakPolarHBondContact CE-O 3.38Å; K95-S134 VanDerWaalsContact CE-OG 3.27Å; K95-S134 WeakPolarHBondContact CE-OG 3.25Å; K95-G135 PolarHBondContact NZ-O 3.13Å; K95-S138 PolarHBondContact NZ-O 3.44Å; K95-S139 CarbonylContact O-C 3.51Å; K95-S139 VanDerWaalsContact O-CA 3.28Å; K95-S139 WeakPolarHBondContact O-CA 3.28Å; K95-S139 WeakPolarHBondContact O-CB 3.4Å; K95-G140 WeakPolarHBondContact CB-O 3.28Å; K95-G140 PolarHBondContact N-O 2.93Å; K95-G140 PolarHBondContact O-N 3.44Å; K95-V142 HydrophobicContact CB-CG2 3.55Å; K95-V142 HydrophobicContact CD-CG2 3.96Å; K95-V142 HydrophobicContact CG-CG2 4.23Å |
| 96 | P | 94.6 | Very high | 92.8 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 14% | 0.143 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 158.3 | 171.6 | 27.5 | -34.1 | 0 | 0 | 0 | 111.3 | L66 | L66-P96 HydrophobicContact CD1-CB 4.46Å; L66-P96 HydrophobicContact CD1-CG 3.59Å; L66-P96 HydrophobicContact CD2-CG 3.85Å; L66-P96 HydrophobicContact CG-CB 3.99Å; L66-P96 HydrophobicContact CG-CG 3.47Å; L66-P96 VanDerWaalsContact CG-CG 3.47Å |
| 97 | Q | 94.3 | Very high | 92.7 | Very high | 25 Ų | 25 | 50.3 Ų | 50.3 | 12% | 0.117 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 146.3 | 171.3 | 175.6 | 174.9 | 1.8 | 0 | 0 | 110.1 | L65 E137 L310 Y338 | L65-Q97 HydrophobicContact CD2-CB 4.22Å; Q97-E137 VanDerWaalsContact CD-O 3.27Å; Q97-E137 WeakPolarHBondContact CG-O 3.29Å; Q97-E137 PolarHBondContact NE2-O 2.95Å; Q97-E137 VanDerWaalsContact NE2-O 3.16Å; Q97-L310 VanDerWaalsContact NE2-N 3.11Å; Q97-L310 PolarHBondContact OE1-O 2.84Å; Q97-Y338 PolarHBondContact OE1-OH 2.89Å |
| 98 | G | 92.2 | Very high | 92.9 | Very high | 36 Ų | 36 | 47.2 Ų | 47.2 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | -20.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P100 K136 | G98-P100 WeakPolarHBondContact O-CD 3.42Å; G98-K136 WeakPolarHBondContact CA-O 3.49Å; G98-K136 PolarHBondContact N-O 3.16Å; G98-K136 WeakPolarHBondContact O-CG 3.49Å |
| 99 | L | 94.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | trans | -75.9 | 114.3 | 174 | -175.2 | 66 | 0 | 0 | 0 | 110.6 | L66 L75 L79 K95 L110 | L66-L99 HydrophobicContact CD1-CB 3.94Å; L66-L99 HydrophobicContact CD1-CD1 4.31Å; L75-L99 HydrophobicContact CD1-CD1 3.79Å; L75-L99 HydrophobicContact CD1-CD2 3.96Å; L75-L99 HydrophobicContact CD2-CD1 3.74Å; L75-L99 HydrophobicContact CG-CD1 4.43Å; L79-L99 HydrophobicContact CD1-CD2 4.24Å; L79-L99 HydrophobicContact CD2-CD2 3.8Å; L79-L99 HydrophobicContact CG-CD2 4.4Å; K95-L99 HydrophobicContact CD-CB 4.15Å; K95-L99 HydrophobicContact CD-CD2 4.17Å; K95-L99 HydrophobicContact CD-CG 4.37Å; K95-L99 HydrophobicContact CG-CB 4.11Å; K95-L99 HydrophobicContact CG-CD2 3.91Å; K95-L99 HydrophobicContact CG-CG 4.46Å; K95-L99 PolarHBondContact NZ-O 3.5Å; L99-L110 HydrophobicContact CD2-CB 4.34Å | ||
| 100 | P | 94.8 | Very high | 93.3 | Very high | 23 Ų | 23 | 41.7 Ų | 41.7 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | trans | -69.3 | 147.4 | 172.5 | 28.2 | -34.7 | 0 | 0 | 0 | 111.7 | G98 T109 L110 K136 | G98-P100 WeakPolarHBondContact O-CD 3.42Å; P100-T109 HydrophobicContact CB-CG2 4.28Å; P100-T109 HydrophobicContact CG-CG2 3.75Å; P100-T109 WeakPolarHBondContact O-CA 3.23Å; P100-L110 PolarHBondContact O-N 2.78Å; P100-K136 HydrophobicContact CB-CB 4.33Å; P100-K136 HydrophobicContact CB-CD 4.27Å; P100-K136 HydrophobicContact CB-CG 4.21Å | ||
| 101 | V | 94.7 | Very high | 93.3 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -72.3 | -46.7 | 173 | 179.5 | 0 | 0 | 0 | 0 | 110 | L110 L111 V130 A133 S134 | V101-L110 HydrophobicContact CG1-CD2 4.41Å; V101-L111 WeakPolarHBondContact O-CB 3.43Å; V101-L111 WeakPolarHBondContact O-CG 3.41Å; V101-L111 PolarHBondContact O-N 2.81Å; V101-L111 VanDerWaalsContact O-N 3.07Å; V101-V130 HydrophobicContact CG1-CG1 4.46Å; V101-A133 HydrophobicContact CG1-CB 4.17Å; V101-A133 HydrophobicContact CG2-CB 3.5Å; V101-S134 VanDerWaalsContact CG2-O 3.28Å; V101-S134 WeakPolarHBondContact CG2-O 3.43Å |
| 102 | T | 94.1 | Very high | 93.2 | Very high | 93 Ų | 93 | 45.2 Ų | 45.2 | 57% | 0.571 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -129.9 | 155 | -179.3 | 65.9 | 0 | 0 | 0 | 0 | 109.2 | L111 | T102-L111 HydrophobicContact CG2-CD1 3.46Å; T102-L111 VanDerWaalsContact CG2-CD1 3.46Å; T102-L111 HydrophobicContact CG2-CG 4.17Å |
| 103 | G | 90.1 | Very high | 93 | Very high | 45 Ų | 45 | 45.1 Ų | 45.1 | 46% | 0.464 | 29% | 0.287 | S | S | . | . | trans | -161.3 | -174.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E107 T109 | G103-E107 WeakPolarHBondContact CA-OE2 3.29Å; G103-T109 VanDerWaalsContact N-CG2 3.33Å | ||
| 104 | K | 88.1 | Confident | 92.9 | Very high | 161 Ų | 161 | 45.4 Ų | 45.4 | 70% | 0.7 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -71.7 | 160.8 | 174.7 | -62.6 | 177.4 | -178.5 | 176.1 | 0 | 110.4 | G106 E107 | K104-G106 PolarHBondContact O-N 2.84Å; K104-E107 HydrophobicContact CB-CG 4.17Å; K104-E107 PolarHBondContact N-OE2 3.28Å; K104-E107 WeakPolarHBondContact O-CB 3.31Å; K104-E107 PolarHBondContact O-N 2.79Å |
| 105 | S | 83.1 | Confident | 92.7 | Very high | 134 Ų | 134 | 47.1 Ų | 47.1 | 94% | 0.937 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 132.6 | 172.7 | -169.7 | 0 | 0 | 0 | 0 | 110.3 | ||
| 106 | G | 82.6 | Confident | 92.7 | Very high | 77 Ų | 77 | 49.9 Ų | 49.9 | 79% | 0.794 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | -12.1 | -176 | 0 | 0 | 0 | 0 | 0 | 115.6 | K104 | K104-G106 PolarHBondContact O-N 2.84Š|
| 107 | E | 90.5 | Very high | 92.7 | Very high | 91 Ų | 91 | 48.9 Ų | 48.9 | 43% | 0.425 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -80.3 | 137 | 174 | -67.1 | 178.3 | 172.1 | 0 | 0 | 111.4 | G103 K104 T109 | G103-E107 WeakPolarHBondContact CA-OE2 3.29Å; K104-E107 HydrophobicContact CB-CG 4.17Å; K104-E107 PolarHBondContact N-OE2 3.28Å; K104-E107 WeakPolarHBondContact O-CB 3.31Å; K104-E107 PolarHBondContact O-N 2.79Å; E107-T109 HydrophobicContact CB-CG2 4.31Å; E107-T109 PolarHBondContact O-N 2.81Å |
| 108 | L | 93.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 47.8 Ų | 47.8 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | trans | -71.9 | 114.9 | 171.4 | -68.3 | -179.8 | 0 | 0 | 0 | 110.3 | L70 R72 L75 | L70-L108 WeakPolarHBondContact O-CD1 3.46Å; R72-L108 HydrophobicContact CB-CD2 4.07Å; L75-L108 HydrophobicContact CD2-CB 4.14Å | ||
| 109 | T | 95.7 | Very high | 92.8 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.043 | 31% | 0.313 | C | S | . | . | trans | -134.5 | 163.1 | -178.2 | 64.6 | 0 | 0 | 0 | 0 | 109.5 | P100 G103 E107 L111 S112 V113 | P100-T109 HydrophobicContact CB-CG2 4.28Å; P100-T109 HydrophobicContact CG-CG2 3.75Å; P100-T109 WeakPolarHBondContact O-CA 3.23Å; G103-T109 VanDerWaalsContact N-CG2 3.33Å; E107-T109 HydrophobicContact CB-CG2 4.31Å; E107-T109 PolarHBondContact O-N 2.81Å; T109-L111 VanDerWaalsContact C-N 3.31Å; T109-L111 PolarHBondContact O-N 2.86Å; T109-S112 PolarHBondContact N-OG 2.99Å; T109-S112 PolarHBondContact O-N 3.33Å; T109-S112 PolarHBondContact O-OG 2.81Å; T109-S112 VanDerWaalsContact OG1-CB 3.28Å; T109-S112 WeakPolarHBondContact OG1-CB 3.3Å; T109-S112 PolarHBondContact OG1-N 3.12Å; T109-S112 PolarHBondContact OG1-OG 3.44Å; T109-V113 PolarHBondContact O-N 3.18Å | ||
| 110 | L | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -49.7 | 171.9 | 177.2 | 66 | 0 | 0 | 0 | 111.1 | L79 L93 L99 P100 V101 S112 V113 L114 V130 A133 V142 | L79-L110 HydrophobicContact CD1-CD1 3.92Å; L79-L110 HydrophobicContact CD2-CD1 4.32Å; L93-L110 HydrophobicContact CD1-CD1 4.29Å; L99-L110 HydrophobicContact CD2-CB 4.34Å; P100-L110 PolarHBondContact O-N 2.78Å; V101-L110 HydrophobicContact CG1-CD2 4.41Å; L110-S112 VanDerWaalsContact C-N 3.31Å; L110-S112 PolarHBondContact O-N 3.49Å; L110-V113 WeakPolarHBondContact O-CG2 3.2Å; L110-V113 PolarHBondContact O-N 3.46Å; L110-L114 HydrophobicContact CD1-CD2 4.1Å; L110-L114 HydrophobicContact CG-CD2 4.25Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 2.88Å; L110-V130 HydrophobicContact CD2-CG2 4.05Å; L110-A133 HydrophobicContact CD2-CB 4.48Å; L110-V142 HydrophobicContact CD2-CB 4.47Å; L110-V142 HydrophobicContact CD2-CG1 3.56Å; L110-V142 HydrophobicContact CD2-CG2 4.11Å |
| 111 | L | 95.4 | Very high | 92.7 | Very high | 78 Ų | 78 | 52.6 Ų | 52.6 | 41% | 0.408 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -59.5 | -41.5 | 179.6 | -77.5 | -171 | 0 | 0 | 0 | 112.3 | V101 T102 T109 V113 L114 V130 | V101-L111 WeakPolarHBondContact O-CB 3.43Å; V101-L111 WeakPolarHBondContact O-CG 3.41Å; V101-L111 PolarHBondContact O-N 2.81Å; V101-L111 VanDerWaalsContact O-N 3.07Å; T102-L111 HydrophobicContact CG2-CD1 3.46Å; T102-L111 VanDerWaalsContact CG2-CD1 3.46Å; T102-L111 HydrophobicContact CG2-CG 4.17Å; T109-L111 VanDerWaalsContact C-N 3.31Å; T109-L111 PolarHBondContact O-N 2.86Å; L111-V113 PolarHBondContact O-N 2.85Å; L111-V113 VanDerWaalsContact O-N 3.15Å; L111-L114 HydrophobicContact CD2-CD1 3.67Å; L111-L114 PolarHBondContact O-N 3.35Å; L111-V130 HydrophobicContact CD2-CB 4.41Å; L111-V130 HydrophobicContact CD2-CG2 3.5Å |
| 112 | S | 94.6 | Very high | 92.5 | Very high | 33 Ų | 33 | 54.4 Ų | 54.4 | 23% | 0.231 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -64.8 | -20.8 | -174.4 | 68.7 | 0 | 0 | 0 | 0 | 114 | R72 T109 L110 | R72-S112 PolarHBondContact NH1-O 2.87Å; T109-S112 PolarHBondContact N-OG 2.99Å; T109-S112 PolarHBondContact O-N 3.33Å; T109-S112 PolarHBondContact O-OG 2.81Å; T109-S112 VanDerWaalsContact OG1-CB 3.28Å; T109-S112 WeakPolarHBondContact OG1-CB 3.3Å; T109-S112 PolarHBondContact OG1-N 3.12Å; T109-S112 PolarHBondContact OG1-OG 3.44Å; L110-S112 VanDerWaalsContact C-N 3.31Å; L110-S112 PolarHBondContact O-N 3.49Å |
| 113 | V | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -112.1 | 7.8 | -176.9 | -57.8 | 0 | 0 | 0 | 0 | 113.4 | R72 L75 V76 L79 T109 L110 L111 E116 L117 | R72-V113 HydrophobicContact CG-CG1 4.18Å; L75-V113 HydrophobicContact CD2-CG1 3.77Å; L75-V113 HydrophobicContact CD2-CG2 3.99Å; L75-V113 HydrophobicContact CG-CG1 4.34Å; L75-V113 HydrophobicContact CG-CG2 4.16Å; V76-V113 HydrophobicContact CG2-CB 3.95Å; V76-V113 HydrophobicContact CG2-CG1 4.44Å; L79-V113 HydrophobicContact CD1-CG2 3.54Å; T109-V113 PolarHBondContact O-N 3.18Å; L110-V113 WeakPolarHBondContact O-CG2 3.2Å; L110-V113 PolarHBondContact O-N 3.46Å; L111-V113 PolarHBondContact O-N 2.85Å; L111-V113 VanDerWaalsContact O-N 3.15Å; V113-E116 VanDerWaalsContact CA-OE2 3.3Å; V113-E116 WeakPolarHBondContact CA-OE2 3.46Å; V113-E116 PolarHBondContact O-N 3.06Å; V113-L117 WeakPolarHBondContact O-CB 3.39Å; V113-L117 PolarHBondContact O-N 3.1Å |
| 114 | L | 94.9 | Very high | 91.6 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 180 | -69.3 | -175.8 | 0 | 0 | 0 | 114 | L110 L111 L117 S118 L128 V130 L144 | L110-L114 HydrophobicContact CD1-CD2 4.1Å; L110-L114 HydrophobicContact CG-CD2 4.25Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 2.88Å; L111-L114 HydrophobicContact CD2-CD1 3.67Å; L111-L114 PolarHBondContact O-N 3.35Å; L114-L117 HydrophobicContact CD2-CD2 4.25Å; L114-L117 PolarHBondContact O-N 3.43Å; L114-S118 WeakPolarHBondContact O-CB 3.3Å; L114-S118 PolarHBondContact O-N 3.31Å; L114-L128 HydrophobicContact CB-CB 4.42Å; L114-L128 VanDerWaalsContact CD1-O 3.29Å; L114-L128 WeakPolarHBondContact CD1-O 3.41Å; L114-L128 HydrophobicContact CD2-CB 4.39Å; L114-V130 HydrophobicContact CD1-CG2 3.87Å; L114-L144 HydrophobicContact CD2-CD1 3.92Å; L114-L144 HydrophobicContact CD2-CD2 4.33Å |
| 115 | P | 93.6 | Very high | 90.8 | Very high | 63 Ų | 63 | 52.5 Ų | 52.5 | 41% | 0.409 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.5 | -49.7 | 176.1 | -25.2 | 35.6 | 0 | 0 | 0 | 112.1 | L117 S118 Q119 | P115-L117 PolarHBondContact O-N 3.48Å; P115-S118 WeakPolarHBondContact O-CB 3.39Å; P115-S118 PolarHBondContact O-N 3.48Å; P115-S118 VanDerWaalsContact O-N 3.15Å; P115-Q119 WeakPolarHBondContact O-CG 3.34Å; P115-Q119 PolarHBondContact O-N 2.71Å; P115-Q119 VanDerWaalsContact O-N 3.09Å |
| 116 | E | 94.7 | Very high | 90.6 | Very high | 58 Ų | 58 | 50.9 Ų | 50.9 | 27% | 0.271 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 179.9 | -58.6 | 92.9 | 144.1 | 0 | 0 | 111 | R72 V76 V113 S118 Q119 S120 | R72-E116 WeakPolarHBondContact CD-OE1 3.28Å; R72-E116 IonicContact CZ-OE1 3.87Å; R72-E116 IonicContact NE-OE1 3.03Å; R72-E116 IonicContact NH1-OE1 3.54Å; R72-E116 PolarHBondContact NH1-OE1 3.26Å; R72-E116 IonicContact NH1-OE2 2.72Å; V76-E116 HydrophobicContact CG1-CB 4.47Å; V76-E116 HydrophobicContact CG2-CB 3.62Å; V113-E116 VanDerWaalsContact CA-OE2 3.3Å; V113-E116 WeakPolarHBondContact CA-OE2 3.46Å; V113-E116 PolarHBondContact O-N 3.06Å; E116-S118 VanDerWaalsContact C-N 3.31Å; E116-S118 PolarHBondContact O-N 2.8Å; E116-Q119 PolarHBondContact O-N 3.06Å; E116-S120 WeakPolarHBondContact O-CB 3.29Å; E116-S120 PolarHBondContact O-N 3.47Å |
| 117 | L | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63 | -37.9 | 172.8 | -177.3 | 61.1 | 0 | 0 | 0 | 111.7 | L79 R80 L93 V113 L114 P115 S120 L121 L128 L144 | L79-L117 HydrophobicContact CB-CD1 3.99Å; L79-L117 HydrophobicContact CB-CD2 4.17Å; L79-L117 HydrophobicContact CD1-CD2 4.32Å; R80-L117 HydrophobicContact CB-CD1 4.4Å; L93-L117 HydrophobicContact CD1-CD2 3.96Å; V113-L117 WeakPolarHBondContact O-CB 3.39Å; V113-L117 PolarHBondContact O-N 3.1Å; L114-L117 HydrophobicContact CD2-CD2 4.25Å; L114-L117 PolarHBondContact O-N 3.43Å; P115-L117 PolarHBondContact O-N 3.48Å; L117-S120 WeakPolarHBondContact O-CB 2.9Å; L117-S120 PolarHBondContact O-N 3.34Å; L117-L121 HydrophobicContact CD1-CD1 4.03Å; L117-L121 HydrophobicContact CD1-CG 4.15Å; L117-L121 HydrophobicContact CG-CD1 3.95Å; L117-L121 HydrophobicContact CG-CG 4.46Å; L117-L121 WeakPolarHBondContact O-CB 3.46Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 2.84Å; L117-L128 HydrophobicContact CD2-CD1 4.41Å; L117-L128 HydrophobicContact CG-CD1 4.25Å; L117-L144 HydrophobicContact CD2-CD1 4.22Å |
| 118 | S | 94.6 | Very high | 91 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.4 | -48 | 178 | -163.9 | 0 | 0 | 0 | 0 | 111.6 | L114 P115 E116 S120 L121 G122 L123 Q126 | L114-S118 WeakPolarHBondContact O-CB 3.3Å; L114-S118 PolarHBondContact O-N 3.31Å; P115-S118 WeakPolarHBondContact O-CB 3.39Å; P115-S118 PolarHBondContact O-N 3.48Å; P115-S118 VanDerWaalsContact O-N 3.15Å; E116-S118 VanDerWaalsContact C-N 3.31Å; E116-S118 PolarHBondContact O-N 2.8Å; S118-S120 VanDerWaalsContact C-N 3.35Å; S118-S120 PolarHBondContact O-N 2.89Å; S118-L121 PolarHBondContact O-N 3.07Å; S118-G122 PolarHBondContact O-N 3.29Å; S118-L123 WeakPolarHBondContact O-CB 3.48Å; S118-L123 PolarHBondContact O-N 3.41Å; S118-L123 WeakPolarHBondContact OG-CB 3.32Å; S118-Q126 WeakPolarHBondContact CB-O 3.06Å; S118-Q126 PolarHBondContact OG-O 2.72Å |
| 119 | Q | 93.7 | Very high | 91.1 | Very high | 126 Ų | 126 | 49.4 Ų | 49.4 | 59% | 0.589 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.2 | -47.9 | 174.5 | -67.6 | 173.6 | 4.2 | 0 | 0 | 111 | P115 E116 L121 G122 | P115-Q119 WeakPolarHBondContact O-CG 3.34Å; P115-Q119 PolarHBondContact O-N 2.71Å; P115-Q119 VanDerWaalsContact O-N 3.09Å; E116-Q119 PolarHBondContact O-N 3.06Å; Q119-L121 PolarHBondContact O-N 3.46Å; Q119-G122 PolarHBondContact O-N 3.08Å |
| 120 | S | 93.6 | Very high | 91.2 | Very high | 25 Ų | 25 | 50.4 Ų | 50.4 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.3 | -28.7 | 176 | 156.8 | 0 | 0 | 0 | 0 | 114.4 | R80 E116 L117 S118 | R80-S120 PolarHBondContact NE-O 3.17Å; R80-S120 VanDerWaalsContact NE-O 3.09Å; R80-S120 PolarHBondContact NE-OG 3.44Å; R80-S120 PolarHBondContact NH2-OG 3.03Å; E116-S120 WeakPolarHBondContact O-CB 3.29Å; E116-S120 PolarHBondContact O-N 3.47Å; L117-S120 WeakPolarHBondContact O-CB 2.9Å; L117-S120 PolarHBondContact O-N 3.34Å; S118-S120 VanDerWaalsContact C-N 3.35Å; S118-S120 PolarHBondContact O-N 2.89Å |
| 121 | L | 93.5 | Very high | 91.3 | Very high | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 0.5 | 177.6 | -68.5 | 173.4 | 0 | 0 | 0 | 113.5 | R80 V83 R86 V91 L117 S118 Q119 L123 L128 | R80-L121 HydrophobicContact CG-CD2 4.01Å; V83-L121 HydrophobicContact CG2-CD1 4.49Å; V83-L121 HydrophobicContact CG2-CD2 3.77Å; R86-L121 VanDerWaalsContact CZ-O 3.28Å; R86-L121 PolarHBondContact NH1-O 3.31Å; R86-L121 PolarHBondContact NH2-O 2.93Å; V91-L121 HydrophobicContact CG1-CD1 4.02Å; L117-L121 HydrophobicContact CD1-CD1 4.03Å; L117-L121 HydrophobicContact CD1-CG 4.15Å; L117-L121 HydrophobicContact CG-CD1 3.95Å; L117-L121 HydrophobicContact CG-CG 4.46Å; L117-L121 WeakPolarHBondContact O-CB 3.46Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 2.84Å; S118-L121 PolarHBondContact O-N 3.07Å; Q119-L121 PolarHBondContact O-N 3.46Å; L121-L123 HydrophobicContact CB-CD1 4.17Å; L121-L123 HydrophobicContact CB-CG 4.13Å; L121-L123 HydrophobicContact CD1-CD1 4.46Å; L121-L128 HydrophobicContact CD1-CD1 4.18Å |
| 122 | G | 91.1 | Very high | 91.3 | Very high | 67 Ų | 67 | 51.1 Ų | 51.1 | 69% | 0.691 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 29 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S118 Q119 | S118-G122 PolarHBondContact O-N 3.29Å; Q119-G122 PolarHBondContact O-N 3.08Å |
| 123 | L | 86.6 | Confident | 91.4 | Very high | 30 Ų | 30 | 50.4 Ų | 50.4 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | trans | -90 | -0.8 | 177.7 | -62.4 | 173 | 0 | 0 | 0 | 113 | V91 S118 L121 Q126 L128 | V91-L123 HydrophobicContact CG2-CD1 4.26Å; S118-L123 WeakPolarHBondContact O-CB 3.48Å; S118-L123 PolarHBondContact O-N 3.41Å; S118-L123 WeakPolarHBondContact OG-CB 3.32Å; L121-L123 HydrophobicContact CB-CD1 4.17Å; L121-L123 HydrophobicContact CB-CG 4.13Å; L121-L123 HydrophobicContact CD1-CD1 4.46Å; L123-Q126 HydrophobicContact CB-CB 4.5Å; L123-Q126 WeakPolarHBondContact O-CB 3.34Å; L123-Q126 WeakPolarHBondContact O-CG 3.24Å; L123-Q126 PolarHBondContact O-N 3.33Å; L123-L128 HydrophobicContact CD1-CD1 4.05Å; L123-L128 HydrophobicContact CD1-CD2 3.61Å; L123-L128 HydrophobicContact CD1-CG 3.91Å | ||
| 124 | G | 77.5 | Confident | 91.2 | Very high | 43 Ų | 43 | 50.4 Ų | 50.4 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | -135.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q126 | G124-Q126 PolarHBondContact O-N 3.34Š|
| 125 | E | 72.6 | Confident | 91 | Very high | 186 Ų | 186 | 52 Ų | 52 | 87% | 0.869 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 1.4 | 179.2 | -62.2 | -60.8 | 146.8 | 0 | 0 | 113.8 | E127 | E125-E127 PolarHBondContact O-N 3.21Š|
| 126 | Q | 79 | Confident | 90.9 | Very high | 100 Ų | 100 | 54.2 Ų | 54.2 | 47% | 0.467 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 118.1 | 179.4 | -65 | -174 | -19.6 | 0 | 0 | 110.3 | S118 L123 G124 L128 S146 | S118-Q126 WeakPolarHBondContact CB-O 3.06Å; S118-Q126 PolarHBondContact OG-O 2.72Å; L123-Q126 HydrophobicContact CB-CB 4.5Å; L123-Q126 WeakPolarHBondContact O-CB 3.34Å; L123-Q126 WeakPolarHBondContact O-CG 3.24Å; L123-Q126 PolarHBondContact O-N 3.33Å; G124-Q126 PolarHBondContact O-N 3.34Å; Q126-L128 PolarHBondContact O-N 3.35Å; Q126-S146 PolarHBondContact OE1-OG 3.33Å; Q126-S146 VanDerWaalsContact OE1-OG 3.08Å |
| 127 | E | 85.6 | Confident | 90.7 | Very high | 133 Ų | 133 | 55.1 Ų | 55.1 | 62% | 0.621 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 120.7 | 177.1 | -165.5 | 177.5 | -163.2 | 0 | 0 | 110.8 | E125 | E125-E127 PolarHBondContact O-N 3.21Š|
| 128 | L | 94.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 130.5 | 172 | -76.9 | 171.6 | 0 | 0 | 0 | 109.9 | V91 L114 L117 L121 L123 Q126 L144 | V91-L128 HydrophobicContact CG2-CD2 4.13Å; L114-L128 HydrophobicContact CB-CB 4.42Å; L114-L128 VanDerWaalsContact CD1-O 3.29Å; L114-L128 WeakPolarHBondContact CD1-O 3.41Å; L114-L128 HydrophobicContact CD2-CB 4.39Å; L117-L128 HydrophobicContact CD2-CD1 4.41Å; L117-L128 HydrophobicContact CG-CD1 4.25Å; L121-L128 HydrophobicContact CD1-CD1 4.18Å; L123-L128 HydrophobicContact CD1-CD1 4.05Å; L123-L128 HydrophobicContact CD1-CD2 3.61Å; L123-L128 HydrophobicContact CD1-CG 3.91Å; Q126-L128 PolarHBondContact O-N 3.35Å; L128-L144 HydrophobicContact CD1-CD1 4.12Å; L128-L144 HydrophobicContact CD2-CB 4.14Å |
| 129 | Q | 96 | Very high | 90.8 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 29% | 0.285 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.3 | 176.5 | -62.9 | -173.9 | -4.4 | 0 | 0 | 111.3 | V131 L144 S145 A151 | Q129-V131 PolarHBondContact O-N 2.84Å; Q129-L144 CarbonylContact O-C 3.39Å; Q129-L144 VanDerWaalsContact O-CA 3.24Å; Q129-L144 WeakPolarHBondContact O-CA 3.24Å; Q129-S145 PolarHBondContact N-O 3.36Å; Q129-S145 PolarHBondContact O-N 3.36Å; Q129-A151 HydrophobicContact CB-CB 4.04Å |
| 130 | V | 97.3 | Very high | 91 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 17% | 0.17 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 117.4 | 174.9 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | V101 L110 L111 L114 A133 L144 Q155 | V101-V130 HydrophobicContact CG1-CG1 4.46Å; L110-V130 HydrophobicContact CD2-CG2 4.05Å; L111-V130 HydrophobicContact CD2-CB 4.41Å; L111-V130 HydrophobicContact CD2-CG2 3.5Å; L114-V130 HydrophobicContact CD1-CG2 3.87Å; V130-A133 HydrophobicContact CG1-CB 3.92Å; V130-L144 HydrophobicContact CB-CD2 4.16Å; V130-L144 HydrophobicContact CG1-CD2 4.45Å; V130-L144 HydrophobicContact CG2-CD2 3.68Å; V130-Q155 PolarHBondContact O-NE2 3.49Å; V130-Q155 VanDerWaalsContact O-NE2 3.11Å |
| 131 | V | 97.4 | Very high | 91.2 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -47.4 | 173.5 | -175 | 0 | 0 | 0 | 0 | 110.2 | Q129 L143 A151 L154 Q155 F158 | Q129-V131 PolarHBondContact O-N 2.84Å; V131-L143 WeakPolarHBondContact CA-O 3.5Å; V131-L143 HydrophobicContact CB-CB 4.31Å; V131-L143 HydrophobicContact CB-CD2 4.12Å; V131-L143 HydrophobicContact CB-CG 3.97Å; V131-L143 WeakPolarHBondContact CB-O 3.45Å; V131-L143 HydrophobicContact CG1-CD2 4.01Å; V131-L143 HydrophobicContact CG1-CG 4.41Å; V131-L143 HydrophobicContact CG2-CG 4.33Å; V131-L143 PolarHBondContact N-O 3.29Å; V131-A151 HydrophobicContact CG2-CB 4.04Å; V131-L154 HydrophobicContact CG1-CB 3.4Å; V131-L154 HydrophobicContact CG1-CD1 4.18Å; V131-L154 HydrophobicContact CG1-CG 4.45Å; V131-Q155 HydrophobicContact CG1-CG 4.19Å; V131-F158 HydrophobicContact CG1-CD2 4.14Å; V131-F158 HydrophobicContact CG1-CE2 3.75Å |
| 132 | R | 96.4 | Very high | 91.4 | Very high | 80 Ų | 80 | 47.6 Ų | 47.6 | 30% | 0.302 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 139.2 | 179 | -163.4 | 75.7 | -136.3 | -171.6 | 5.2 | 109.2 | V142 L143 F158 L317 | R132-V142 CarbonylContact O-C 3.45Å; R132-V142 WeakPolarHBondContact O-CA 3.41Å; R132-L143 HydrophobicContact CB-CB 4.32Å; R132-L143 PolarHBondContact N-O 3.44Å; R132-L143 PolarHBondContact O-N 3.03Å; R132-F158 HydrophobicContact CB-CE2 4.1Å; R132-F158 HydrophobicContact CB-CZ 4.43Å; R132-L317 HydrophobicContact CB-CD1 4.31Å; R132-L317 HydrophobicContact CG-CD1 4.32Å; R132-L317 HydrophobicContact CG-CD2 4.21Å |
| 133 | A | 95.8 | Very high | 91.8 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 15% | 0.149 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 151.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V101 L110 V130 V142 | V101-A133 HydrophobicContact CG1-CB 4.17Å; V101-A133 HydrophobicContact CG2-CB 3.5Å; L110-A133 HydrophobicContact CD2-CB 4.48Å; V130-A133 HydrophobicContact CG1-CB 3.92Å; A133-V142 HydrophobicContact CB-CG1 4.27Å; A133-V142 HydrophobicContact CB-CG2 3.84Å |
| 134 | S | 91.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -71.1 | 153.4 | 164.8 | 61.2 | 0 | 0 | 0 | 0 | 110.7 | K95 V101 S138 L141 | K95-S134 WeakPolarHBondContact CE-O 3.38Å; K95-S134 VanDerWaalsContact CE-OG 3.27Å; K95-S134 WeakPolarHBondContact CE-OG 3.25Å; V101-S134 VanDerWaalsContact CG2-O 3.28Å; V101-S134 WeakPolarHBondContact CG2-O 3.43Å; S134-S138 PolarHBondContact OG-O 3.11Å; S134-L141 PolarHBondContact N-O 3Å | ||
| 135 | G | 90.5 | Very high | 93.2 | Very high | 42 Ų | 42 | 41 Ų | 41 | 43% | 0.433 | 21% | 0.205 | S | C | . | . | trans | -65.1 | 169.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K95 E137 S138 | K95-G135 PolarHBondContact NZ-O 3.13Å; G135-E137 VanDerWaalsContact C-N 3.29Å; G135-E137 PolarHBondContact O-N 2.84Å; G135-S138 PolarHBondContact O-N 3.32Å; G135-S138 VanDerWaalsContact O-N 3.12Å | ||
| 136 | K | 92.1 | Very high | 94.3 | Very high | 108 Ų | 108 | 32.7 Ų | 32.7 | 47% | 0.47 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -49.3 | 178.9 | -179.9 | -175.8 | 169.7 | -175.1 | 0 | 112.3 | G98 P100 S138 | G98-K136 WeakPolarHBondContact CA-O 3.49Å; G98-K136 PolarHBondContact N-O 3.16Å; G98-K136 WeakPolarHBondContact O-CG 3.49Å; P100-K136 HydrophobicContact CB-CB 4.33Å; P100-K136 HydrophobicContact CB-CD 4.27Å; P100-K136 HydrophobicContact CB-CG 4.21Å; K136-S138 PolarHBondContact O-N 3.05Å |
| 137 | E | 89.8 | Confident | 95.1 | Very high | 78 Ų | 78 | 29.4 Ų | 29.4 | 36% | 0.364 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -13.5 | -174.2 | -53.5 | -48.9 | 135.1 | 0 | 0 | 113.6 | Q97 G135 L310 | Q97-E137 VanDerWaalsContact CD-O 3.27Å; Q97-E137 WeakPolarHBondContact CG-O 3.29Å; Q97-E137 PolarHBondContact NE2-O 2.95Å; Q97-E137 VanDerWaalsContact NE2-O 3.16Å; G135-E137 VanDerWaalsContact C-N 3.29Å; G135-E137 PolarHBondContact O-N 2.84Å; E137-L310 HydrophobicContact CB-CD2 4.08Å; E137-L310 WeakPolarHBondContact O-CD2 3.43Å |
| 138 | S | 94.8 | Very high | 95.5 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 8% | 0.077 | 15% | 0.145 | C | C | . | . | trans | -105.9 | 147.1 | -180 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | K95 S134 G135 K136 L312 | K95-S138 PolarHBondContact NZ-O 3.44Å; S134-S138 PolarHBondContact OG-O 3.11Å; G135-S138 PolarHBondContact O-N 3.32Å; G135-S138 VanDerWaalsContact O-N 3.12Å; K136-S138 PolarHBondContact O-N 3.05Å; S138-L312 WeakPolarHBondContact CA-O 3.34Å; S138-L312 WeakPolarHBondContact OG-CD2 3.49Å | ||
| 139 | S | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 173.4 | 166.6 | 59.2 | 0 | 0 | 0 | 0 | 110.8 | K95 L312 H313 L314 Y338 | K95-S139 CarbonylContact O-C 3.51Å; K95-S139 VanDerWaalsContact O-CA 3.28Å; K95-S139 WeakPolarHBondContact O-CA 3.28Å; K95-S139 WeakPolarHBondContact O-CB 3.4Å; S139-L312 PolarHBondContact N-O 3.35Å; S139-H313 WeakPolarHBondContact O-CA 3.46Å; S139-H313 PolarHBondContact OG-ND1 3.1Å; S139-L314 PolarHBondContact O-N 2.85Å; S139-Y338 PolarHBondContact OG-OH 3.2Å |
| 140 | G | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 112.8 | -157.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N94 K95 V142 H313 L314 | N94-G140 VanDerWaalsContact OD1-CA 3.29Å; N94-G140 WeakPolarHBondContact OD1-CA 3.41Å; K95-G140 WeakPolarHBondContact CB-O 3.28Å; K95-G140 PolarHBondContact N-O 2.93Å; K95-G140 PolarHBondContact O-N 3.44Å; G140-V142 PolarHBondContact O-N 3.16Å; G140-H313 WeakPolarHBondContact CA-CE1 3.36Å; G140-H313 WeakPolarHBondContact CA-ND1 3.47Å; G140-H313 PolarHBondContact N-ND1 3.4Å; G140-L314 WeakPolarHBondContact CA-O 3.33Å |
| 141 | L | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 134.3 | -164.3 | -67.4 | 163.5 | 0 | 0 | 0 | 113.8 | T92 L93 S134 L314 R316 L317 L331 A333 | T92-L141 HydrophobicContact CG2-CD2 3.31Å; L93-L141 CarbonylContact O-C 3.46Å; L93-L141 WeakPolarHBondContact O-CA 3.49Å; S134-L141 PolarHBondContact N-O 3Å; L141-L314 HydrophobicContact CB-CD2 4.11Å; L141-L314 HydrophobicContact CB-CG 4Å; L141-L314 PolarHBondContact N-O 3.32Å; L141-L314 WeakPolarHBondContact O-CD2 3.45Å; L141-R316 VanDerWaalsContact CD1-CA 3.49Å; L141-L317 HydrophobicContact CB-CD1 3.78Å; L141-L317 HydrophobicContact CB-CG 4.17Å; L141-L317 HydrophobicContact CD1-CB 4Å; L141-L317 HydrophobicContact CD1-CD1 4.15Å; L141-L317 HydrophobicContact CD1-CG 3.76Å; L141-L331 HydrophobicContact CD1-CB 4.3Å; L141-L331 WeakPolarHBondContact CD1-O 3.45Å; L141-L331 HydrophobicContact CD2-CB 4.47Å; L141-A333 HydrophobicContact CD2-CB 3.64Å; L141-A333 HydrophobicContact CG-CB 3.6Å |
| 142 | V | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 126.8 | 159.3 | 171.9 | 0 | 0 | 0 | 0 | 107 | T92 L93 K95 L110 R132 A133 G140 L144 | T92-V142 CarbonylContact C-O 3.56Å; T92-V142 WeakPolarHBondContact CA-O 3.48Å; L93-V142 HydrophobicContact CB-CB 4.2Å; L93-V142 HydrophobicContact CD1-CG1 4.46Å; L93-V142 PolarHBondContact N-O 3.48Å; L93-V142 PolarHBondContact O-N 3.35Å; K95-V142 HydrophobicContact CB-CG2 3.55Å; K95-V142 HydrophobicContact CD-CG2 3.96Å; K95-V142 HydrophobicContact CG-CG2 4.23Å; L110-V142 HydrophobicContact CD2-CB 4.47Å; L110-V142 HydrophobicContact CD2-CG1 3.56Å; L110-V142 HydrophobicContact CD2-CG2 4.11Å; R132-V142 CarbonylContact O-C 3.45Å; R132-V142 WeakPolarHBondContact O-CA 3.41Å; A133-V142 HydrophobicContact CB-CG1 4.27Å; A133-V142 HydrophobicContact CB-CG2 3.84Å; G140-V142 PolarHBondContact O-N 3.16Å; V142-L144 HydrophobicContact CG1-CD2 3.55Å; V142-L144 HydrophobicContact CG1-CG 3.92Å |
| 143 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118.3 | 173.7 | -179.6 | 60.6 | 0 | 0 | 0 | 109.1 | L90 V131 R132 L154 F158 L317 L319 L331 | L90-L143 HydrophobicContact CB-CD1 4.38Å; L90-L143 HydrophobicContact CD2-CD1 4.33Å; V131-L143 WeakPolarHBondContact CA-O 3.5Å; V131-L143 HydrophobicContact CB-CB 4.31Å; V131-L143 HydrophobicContact CB-CD2 4.12Å; V131-L143 HydrophobicContact CB-CG 3.97Å; V131-L143 WeakPolarHBondContact CB-O 3.45Å; V131-L143 HydrophobicContact CG1-CD2 4.01Å; V131-L143 HydrophobicContact CG1-CG 4.41Å; V131-L143 HydrophobicContact CG2-CG 4.33Å; V131-L143 PolarHBondContact N-O 3.29Å; R132-L143 HydrophobicContact CB-CB 4.32Å; R132-L143 PolarHBondContact N-O 3.44Å; R132-L143 PolarHBondContact O-N 3.03Å; L143-L154 HydrophobicContact CD2-CD1 4.16Å; L143-F158 HydrophobicContact CD2-CE2 4.2Å; L143-F158 HydrophobicContact CD2-CZ 4.27Å; L143-L317 HydrophobicContact CB-CD1 4.3Å; L143-L319 HydrophobicContact CD2-CD1 4.23Å; L143-L319 HydrophobicContact CD2-CD2 3.53Å; L143-L331 HydrophobicContact CD1-CD1 3.79Å; L143-L331 HydrophobicContact CD2-CD1 4.36Å |
| 144 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 158.2 | 174.8 | -51.6 | 180 | 0 | 0 | 0 | 110.3 | L90 V91 L93 L114 L117 L128 Q129 V130 V142 | L90-L144 WeakPolarHBondContact CA-O 3.44Å; V91-L144 HydrophobicContact CB-CB 4.25Å; V91-L144 PolarHBondContact N-O 3.47Å; V91-L144 PolarHBondContact O-N 2.71Å; L93-L144 HydrophobicContact CD1-CD1 3.7Å; L93-L144 HydrophobicContact CD1-CG 4.42Å; L93-L144 HydrophobicContact CG-CD1 4.25Å; L114-L144 HydrophobicContact CD2-CD1 3.92Å; L114-L144 HydrophobicContact CD2-CD2 4.33Å; L117-L144 HydrophobicContact CD2-CD1 4.22Å; L128-L144 HydrophobicContact CD1-CD1 4.12Å; L128-L144 HydrophobicContact CD2-CB 4.14Å; Q129-L144 CarbonylContact O-C 3.39Å; Q129-L144 VanDerWaalsContact O-CA 3.24Å; Q129-L144 WeakPolarHBondContact O-CA 3.24Å; V130-L144 HydrophobicContact CB-CD2 4.16Å; V130-L144 HydrophobicContact CG1-CD2 4.45Å; V130-L144 HydrophobicContact CG2-CD2 3.68Å; V142-L144 HydrophobicContact CG1-CD2 3.55Å; V142-L144 HydrophobicContact CG1-CG 3.92Å |
| 145 | S | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 132.3 | 172.3 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | P89 Q129 C147 | P89-S145 CarbonylContact O-C 3.55Å; P89-S145 VanDerWaalsContact O-CA 3.23Å; P89-S145 WeakPolarHBondContact O-CA 3.42Å; Q129-S145 PolarHBondContact N-O 3.36Å; Q129-S145 PolarHBondContact O-N 3.36Å; S145-C147 PolarHBondContact OG-N 2.95Å; S145-C147 PolarHBondContact OG-O 3.43Å |
| 146 | S | 95.6 | Very high | 96 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 8% | 0.084 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -81.4 | -4.9 | 171 | 70.7 | 0 | 0 | 0 | 0 | 113.1 | P89 Q126 | P89-S146 PolarHBondContact O-N 3.13Å; Q126-S146 PolarHBondContact OE1-OG 3.33Å; Q126-S146 VanDerWaalsContact OE1-OG 3.08Å |
| 147 | C | 94.9 | Very high | 96.1 | Very high | 32 Ų | 32 | 41.2 Ų | 41.2 | 22% | 0.216 | 20% | 0.202 | C | C | . | . | trans | -111.5 | 116 | 177 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | P89 S145 Q149 T150 A151 | P89-C147 HydrophobicContact CB-CB 3.56Å; P89-C147 HydrophobicContact CG-CB 4.29Å; S145-C147 PolarHBondContact OG-N 2.95Å; S145-C147 PolarHBondContact OG-O 3.43Å; C147-Q149 VanDerWaalsContact C-N 3.32Å; C147-Q149 PolarHBondContact O-N 2.83Å; C147-Q149 PolarHBondContact SG-OE1 3.43Å; C147-T150 PolarHBondContact O-N 2.94Å; C147-T150 PolarHBondContact SG-N 2.95Å; C147-T150 PolarHBondContact SG-OG1 3.36Å; C147-T150 VanDerWaalsContact SG-OG1 3.33Å; C147-A151 PolarHBondContact O-N 3.33Å | ||
| 148 | P | 94.2 | Very high | 96.5 | Very high | 63 Ų | 63 | 37.9 Ų | 37.9 | 41% | 0.409 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.8 | -37.3 | -179.9 | -26.7 | 35 | 0 | 0 | 0 | 114 | A151 S152 | P148-A151 PolarHBondContact O-N 3.48Å; P148-S152 WeakPolarHBondContact O-CB 3.32Å; P148-S152 PolarHBondContact O-N 3.19Å |
| 149 | Q | 94.8 | Very high | 96.5 | Very high | 140 Ų | 140 | 40.3 Ų | 40.3 | 65% | 0.654 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -65 | -41.8 | 178.1 | -59.9 | 82.9 | -3.5 | 0 | 0 | 111.1 | C147 R153 | C147-Q149 VanDerWaalsContact C-N 3.32Å; C147-Q149 PolarHBondContact O-N 2.83Å; C147-Q149 PolarHBondContact SG-OE1 3.43Å; Q149-R153 WeakPolarHBondContact O-CB 3.37Å; Q149-R153 PolarHBondContact O-N 2.86Å |
| 150 | T | 94.8 | Very high | 96.4 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 25% | 0.245 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.3 | -44.4 | 175.6 | -62.2 | 0 | 0 | 0 | 0 | 111 | P89 L90 C147 S152 R153 L154 | P89-T150 HydrophobicContact CG-CG2 4.04Å; L90-T150 HydrophobicContact CD2-CG2 3.73Å; C147-T150 PolarHBondContact O-N 2.94Å; C147-T150 PolarHBondContact SG-N 2.95Å; C147-T150 PolarHBondContact SG-OG1 3.36Å; C147-T150 VanDerWaalsContact SG-OG1 3.33Å; T150-S152 PolarHBondContact O-N 2.78Å; T150-R153 PolarHBondContact O-N 2.97Å; T150-L154 HydrophobicContact CG2-CD1 4.03Å; T150-L154 HydrophobicContact CG2-CG 4.47Å; T150-L154 WeakPolarHBondContact O-CG 3.4Å; T150-L154 PolarHBondContact O-N 3.22Å |
| 151 | A | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.5 | -51.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q129 V131 C147 P148 R153 L154 Q155 | Q129-A151 HydrophobicContact CB-CB 4.04Å; V131-A151 HydrophobicContact CG2-CB 4.04Å; C147-A151 PolarHBondContact O-N 3.33Å; P148-A151 PolarHBondContact O-N 3.48Å; A151-R153 PolarHBondContact O-N 3Å; A151-L154 PolarHBondContact O-N 2.83Å; A151-Q155 WeakPolarHBondContact O-CB 3.27Å; A151-Q155 VanDerWaalsContact O-CG 3.3Å; A151-Q155 WeakPolarHBondContact O-CG 3.27Å; A151-Q155 PolarHBondContact O-N 3.05Å |
| 152 | S | 96.6 | Very high | 96.1 | Very high | 45 Ų | 45 | 49.6 Ų | 49.6 | 32% | 0.315 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 178.3 | -174.1 | 0 | 0 | 0 | 0 | 112.3 | P148 T150 L154 Q155 K156 | P148-S152 WeakPolarHBondContact O-CB 3.32Å; P148-S152 PolarHBondContact O-N 3.19Å; T150-S152 PolarHBondContact O-N 2.78Å; S152-L154 PolarHBondContact O-N 2.94Å; S152-Q155 PolarHBondContact O-N 3.4Å; S152-K156 VanDerWaalsContact O-CG 3.31Å; S152-K156 WeakPolarHBondContact O-CG 3.29Å; S152-K156 PolarHBondContact O-N 3.35Å |
| 153 | R | 96.1 | Very high | 96 | Very high | 159 Ų | 159 | 59.1 Ų | 59.1 | 60% | 0.6 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.2 | -45.2 | 177.3 | 179.6 | 178.7 | 171.3 | -179.4 | -4 | 111.7 | Q149 T150 A151 K156 F157 | Q149-R153 WeakPolarHBondContact O-CB 3.37Å; Q149-R153 PolarHBondContact O-N 2.86Å; T150-R153 PolarHBondContact O-N 2.97Å; A151-R153 PolarHBondContact O-N 3Å; R153-K156 PolarHBondContact O-N 2.86Å; R153-F157 PolarHBondContact O-N 3.36Å |
| 154 | L | 96.8 | Very high | 95.8 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.4 | -39.1 | -179.8 | -69.9 | 175.4 | 0 | 0 | 0 | 112.4 | L90 V131 L143 T150 A151 S152 K156 F157 F158 L319 P320 | L90-L154 HydrophobicContact CD1-CD1 4.4Å; L90-L154 HydrophobicContact CD2-CD1 3.68Å; V131-L154 HydrophobicContact CG1-CB 3.4Å; V131-L154 HydrophobicContact CG1-CD1 4.18Å; V131-L154 HydrophobicContact CG1-CG 4.45Å; L143-L154 HydrophobicContact CD2-CD1 4.16Å; T150-L154 HydrophobicContact CG2-CD1 4.03Å; T150-L154 HydrophobicContact CG2-CG 4.47Å; T150-L154 WeakPolarHBondContact O-CG 3.4Å; T150-L154 PolarHBondContact O-N 3.22Å; A151-L154 PolarHBondContact O-N 2.83Å; S152-L154 PolarHBondContact O-N 2.94Å; L154-K156 VanDerWaalsContact C-N 3.33Å; L154-K156 PolarHBondContact O-N 3.33Å; L154-F157 WeakPolarHBondContact O-CB 3.49Å; L154-F157 PolarHBondContact O-N 2.71Å; L154-F157 VanDerWaalsContact O-N 3.14Å; L154-F158 HydrophobicContact CB-CE2 4.44Å; L154-F158 WeakPolarHBondContact O-CD2 3.47Å; L154-F158 PolarHBondContact O-N 2.9Å; L154-L319 HydrophobicContact CD2-CD2 4.36Å; L154-P320 HydrophobicContact CD2-CG 4Å |
| 155 | Q | 97.3 | Very high | 95.7 | Very high | 81 Ų | 81 | 67.1 Ų | 67.1 | 38% | 0.379 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 173.1 | -73.1 | 170.7 | -8.2 | 0 | 0 | 111.7 | V130 V131 A151 S152 F158 T159 | V130-Q155 PolarHBondContact O-NE2 3.49Å; V130-Q155 VanDerWaalsContact O-NE2 3.11Å; V131-Q155 HydrophobicContact CG1-CG 4.19Å; A151-Q155 WeakPolarHBondContact O-CB 3.27Å; A151-Q155 VanDerWaalsContact O-CG 3.3Å; A151-Q155 WeakPolarHBondContact O-CG 3.27Å; A151-Q155 PolarHBondContact O-N 3.05Å; S152-Q155 PolarHBondContact O-N 3.4Å; Q155-F158 PolarHBondContact O-N 3.21Å; Q155-T159 WeakPolarHBondContact O-CB 3.39Å; Q155-T159 PolarHBondContact O-N 3.25Å; Q155-T159 PolarHBondContact O-OG1 3.36Å |
| 156 | K | 96.7 | Very high | 95.5 | Very high | 141 Ų | 141 | 74.9 Ų | 74.9 | 61% | 0.613 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.2 | -42.6 | 172.5 | -72.1 | 171.4 | -174.4 | 173.4 | 0 | 111.7 | S152 R153 L154 T159 H160 | S152-K156 VanDerWaalsContact O-CG 3.31Å; S152-K156 WeakPolarHBondContact O-CG 3.29Å; S152-K156 PolarHBondContact O-N 3.35Å; R153-K156 PolarHBondContact O-N 2.86Å; L154-K156 VanDerWaalsContact C-N 3.33Å; L154-K156 PolarHBondContact O-N 3.33Å; K156-T159 PolarHBondContact O-N 2.91Å; K156-H160 WeakPolarHBondContact O-CB 3.49Å; K156-H160 PolarHBondContact O-N 3.24Å |
| 157 | F | 95.9 | Very high | 95.5 | Very high | 51 Ų | 51 | 76.2 Ų | 76.2 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59 | -47.6 | 175.7 | 165 | -94 | 0 | 0 | 0 | 112.6 | R153 L154 T159 H160 S161 T168 L318 P320 | R153-F157 PolarHBondContact O-N 3.36Å; L154-F157 WeakPolarHBondContact O-CB 3.49Å; L154-F157 PolarHBondContact O-N 2.71Å; L154-F157 VanDerWaalsContact O-N 3.14Å; F157-T159 VanDerWaalsContact C-N 3.33Å; F157-T159 PolarHBondContact O-N 3.15Å; F157-H160 PolarHBondContact O-N 2.77Å; F157-S161 WeakPolarHBondContact O-CB 3.18Å; F157-S161 PolarHBondContact O-N 3.04Å; F157-S161 PolarHBondContact O-OG 3.25Å; F157-T168 HydrophobicContact CE1-CG2 3.82Å; F157-T168 HydrophobicContact CZ-CG2 4.05Å; F157-L318 WeakPolarHBondContact CE1-O 3.37Å; F157-P320 HydrophobicContact CB-CG 4.45Å; F157-P320 HydrophobicContact CD1-CG 4.37Å; F157-P320 HydrophobicContact CD2-CB 3.79Å; F157-P320 HydrophobicContact CD2-CG 3.88Å; F157-P320 HydrophobicContact CE2-CB 3.78Å; F157-P320 HydrophobicContact CE2-CG 4.2Å; F157-P320 HydrophobicContact CG-CB 4.39Å; F157-P320 HydrophobicContact CG-CG 3.96Å; F157-P320 HydrophobicContact CZ-CB 4.37Å |
| 158 | F | 96.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 75.8 Ų | 75.8 | 4% | 0.035 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 178.2 | -71.4 | -59.5 | 0 | 0 | 0 | 111.7 | V131 R132 L143 L154 Q155 S161 Q162 T168 L319 | V131-F158 HydrophobicContact CG1-CD2 4.14Å; V131-F158 HydrophobicContact CG1-CE2 3.75Å; R132-F158 HydrophobicContact CB-CE2 4.1Å; R132-F158 HydrophobicContact CB-CZ 4.43Å; L143-F158 HydrophobicContact CD2-CE2 4.2Å; L143-F158 HydrophobicContact CD2-CZ 4.27Å; L154-F158 HydrophobicContact CB-CE2 4.44Å; L154-F158 WeakPolarHBondContact O-CD2 3.47Å; L154-F158 PolarHBondContact O-N 2.9Å; Q155-F158 PolarHBondContact O-N 3.21Å; F158-S161 PolarHBondContact O-N 3.41Å; F158-Q162 WeakPolarHBondContact O-CB 3.44Å; F158-Q162 PolarHBondContact O-N 3.4Å; F158-T168 HydrophobicContact CD1-CG2 4.17Å; F158-T168 HydrophobicContact CE1-CG2 4.47Å; F158-L319 HydrophobicContact CE1-CD2 4.4Å; F158-L319 HydrophobicContact CE2-CD2 4.32Å; F158-L319 HydrophobicContact CZ-CD2 3.6Å |
| 159 | T | 95.8 | Very high | 95.8 | Very high | 63 Ų | 63 | 73.3 Ų | 73.3 | 39% | 0.387 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 176.3 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | Q155 K156 F157 Q162 R163 | Q155-T159 WeakPolarHBondContact O-CB 3.39Å; Q155-T159 PolarHBondContact O-N 3.25Å; Q155-T159 PolarHBondContact O-OG1 3.36Å; K156-T159 PolarHBondContact O-N 2.91Å; F157-T159 VanDerWaalsContact C-N 3.33Å; F157-T159 PolarHBondContact O-N 3.15Å; T159-Q162 PolarHBondContact O-N 2.99Å; T159-R163 WeakPolarHBondContact O-CG 3.46Å; T159-R163 PolarHBondContact O-N 3.18Å; T159-R163 VanDerWaalsContact O-N 3.12Å |
| 160 | H | 95.6 | Very high | 95.9 | Very high | 116 Ų | 116 | 66.8 Ų | 66.8 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 177.5 | -177.9 | 72.7 | 0 | 0 | 0 | 111.9 | K156 F157 Q162 R163 A164 | K156-H160 WeakPolarHBondContact O-CB 3.49Å; K156-H160 PolarHBondContact O-N 3.24Å; F157-H160 PolarHBondContact O-N 2.77Å; H160-Q162 VanDerWaalsContact C-N 3.3Å; H160-Q162 PolarHBondContact O-N 3.4Å; H160-R163 PolarHBondContact O-N 3.02Å; H160-A164 WeakPolarHBondContact O-CB 3.34Å; H160-A164 PolarHBondContact O-N 2.88Å |
| 161 | S | 95 | Very high | 96.1 | Very high | 5 Ų | 5 | 66.1 Ų | 66.1 | 4% | 0.035 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 177.3 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | F157 F158 A164 Q165 R166 T168 | F157-S161 WeakPolarHBondContact O-CB 3.18Å; F157-S161 PolarHBondContact O-N 3.04Å; F157-S161 PolarHBondContact O-OG 3.25Å; F158-S161 PolarHBondContact O-N 3.41Å; S161-A164 CarbonylContact O-C 3.59Å; S161-A164 PolarHBondContact O-N 2.84Å; S161-Q165 PolarHBondContact O-N 3.1Å; S161-Q165 VanDerWaalsContact O-N 3.11Å; S161-R166 PolarHBondContact O-N 3.44Å; S161-T168 VanDerWaalsContact CB-CG2 3.44Å |
| 162 | Q | 94.5 | Very high | 96.2 | Very high | 74 Ų | 74 | 66.1 Ų | 66.1 | 35% | 0.346 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 174 | -170.5 | -173.6 | 53.9 | 0 | 0 | 111.8 | F158 T159 H160 A164 Q165 L240 V242 | F158-Q162 WeakPolarHBondContact O-CB 3.44Å; F158-Q162 PolarHBondContact O-N 3.4Å; T159-Q162 PolarHBondContact O-N 2.99Å; H160-Q162 VanDerWaalsContact C-N 3.3Å; H160-Q162 PolarHBondContact O-N 3.4Å; Q162-A164 VanDerWaalsContact C-N 3.27Å; Q162-A164 PolarHBondContact O-N 2.93Å; Q162-Q165 PolarHBondContact O-N 3.3Å; Q162-L240 VanDerWaalsContact CG-O 3.25Å; Q162-L240 WeakPolarHBondContact CG-O 3.35Å; Q162-V242 VanDerWaalsContact NE2-CG2 3.32Å |
| 163 | R | 94.6 | Very high | 96.3 | Very high | 200 Ų | 200 | 64 Ų | 64 | 76% | 0.755 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.6 | -36.5 | 177.2 | -69.2 | 175.7 | -174.7 | -179.8 | 1.5 | 112.3 | T159 H160 Q165 | T159-R163 WeakPolarHBondContact O-CG 3.46Å; T159-R163 PolarHBondContact O-N 3.18Å; T159-R163 VanDerWaalsContact O-N 3.12Å; H160-R163 PolarHBondContact O-N 3.02Å; R163-Q165 PolarHBondContact O-N 3Å |
| 164 | A | 95.2 | Very high | 96.5 | Very high | 44 Ų | 44 | 56.4 Ų | 56.4 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 4.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H160 S161 Q162 R166 | H160-A164 WeakPolarHBondContact O-CB 3.34Å; H160-A164 PolarHBondContact O-N 2.88Å; S161-A164 CarbonylContact O-C 3.59Å; S161-A164 PolarHBondContact O-N 2.84Å; Q162-A164 VanDerWaalsContact C-N 3.27Å; Q162-A164 PolarHBondContact O-N 2.93Å; A164-R166 HydrophobicContact CB-CG 4.16Å; A164-R166 PolarHBondContact O-N 2.98Å |
| 165 | Q | 94.8 | Very high | 96.6 | Very high | 124 Ų | 124 | 55.8 Ų | 55.8 | 58% | 0.579 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 36.7 | -175.6 | -61.6 | -171.8 | -15.5 | 0 | 0 | 113.5 | S161 Q162 R163 L240 | S161-Q165 PolarHBondContact O-N 3.1Å; S161-Q165 VanDerWaalsContact O-N 3.11Å; Q162-Q165 PolarHBondContact O-N 3.3Å; R163-Q165 PolarHBondContact O-N 3Å; Q165-L240 HydrophobicContact CB-CD1 4.28Å; Q165-L240 VanDerWaalsContact O-CD2 3.27Å; Q165-L240 WeakPolarHBondContact O-CD2 3.39Å |
| 166 | R | 94.4 | Very high | 96.6 | Very high | 163 Ų | 163 | 52.6 Ų | 52.6 | 62% | 0.615 | 25% | 0.246 | S | C | * | . | trans | -97.7 | 117.7 | 174.7 | -67.8 | -178.7 | -178.5 | 162.3 | 0.2 | 109.6 | S161 A164 T168 | S161-R166 PolarHBondContact O-N 3.44Å; A164-R166 HydrophobicContact CB-CG 4.16Å; A164-R166 PolarHBondContact O-N 2.98Å; R166-T168 PolarHBondContact O-N 2.83Å | ||
| 167 | P | 95.1 | Very high | 96.6 | Very high | 39 Ų | 39 | 46.3 Ų | 46.3 | 25% | 0.253 | 22% | 0.221 | S | C | . | . | trans | -70.7 | 124.7 | -179 | 28.3 | -31 | 0 | 0 | 0 | 110 | Q238 L240 | P167-Q238 HydrophobicContact CB-CB 3.81Å; P167-Q238 HydrophobicContact CB-CG 4.31Å; P167-L240 HydrophobicContact CB-CD2 3.85Å; P167-L240 HydrophobicContact CG-CD2 4.29Å | ||
| 168 | T | 97.1 | Very high | 96.7 | Very high | 23 Ų | 23 | 47.5 Ų | 47.5 | 14% | 0.141 | 23% | 0.229 | C | C | . | . | trans | -111.3 | -12.7 | 178.2 | 48.6 | 0 | 0 | 0 | 0 | 112.7 | F157 F158 S161 R166 L317 L318 | F157-T168 HydrophobicContact CE1-CG2 3.82Å; F157-T168 HydrophobicContact CZ-CG2 4.05Å; F158-T168 HydrophobicContact CD1-CG2 4.17Å; F158-T168 HydrophobicContact CE1-CG2 4.47Å; S161-T168 VanDerWaalsContact CB-CG2 3.44Å; R166-T168 PolarHBondContact O-N 2.83Å; T168-L317 CarbonylContact O-C 3.6Å; T168-L317 WeakPolarHBondContact O-CA 3.39Å; T168-L318 PolarHBondContact O-N 3.25Å | ||
| 169 | A | 97.7 | Very high | 96.8 | Very high | 12 Ų | 12 | 47.4 Ų | 47.4 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y171 L314 R316 L317 | A169-Y171 HydrophobicContact CB-CE2 4.04Å; A169-L314 HydrophobicContact CB-CD1 3.86Å; A169-R316 WeakPolarHBondContact CA-O 3.36Å; A169-L317 HydrophobicContact CB-CD2 3.84Å |
| 170 | T | 98.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.7 | 169.6 | -52.4 | 0 | 0 | 0 | 0 | 108.8 | Q236 Q238 H315 R316 | T170-Q236 HydrophobicContact CG2-CB 4.12Å; T170-Q236 HydrophobicContact CG2-CG 3.98Å; T170-Q238 HydrophobicContact CG2-CG 4.04Å; T170-Q238 PolarHBondContact OG1-NE2 2.79Å; T170-H315 PolarHBondContact O-N 3.36Å; T170-H315 VanDerWaalsContact O-N 3.12Å; T170-R316 PolarHBondContact N-O 3.16Å; T170-R316 PolarHBondContact O-N 3.2Å |
| 171 | Y | 98.6 | Very high | 96.9 | Very high | 26 Ų | 26 | 48.2 Ų | 48.2 | 10% | 0.102 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 145.9 | 173.8 | -70 | -106.2 | 0 | 0 | 0 | 109.6 | A169 Q236 L237 P239 L247 L312 H313 L314 | A169-Y171 HydrophobicContact CB-CE2 4.04Å; Y171-Q236 CarbonylContact O-C 3.53Å; Y171-Q236 VanDerWaalsContact O-CA 3.31Å; Y171-Q236 WeakPolarHBondContact O-CA 3.46Å; Y171-L237 PolarHBondContact N-O 3.1Å; Y171-L237 PolarHBondContact O-N 3.38Å; Y171-P239 HydrophobicContact CD2-CG 4.06Å; Y171-P239 HydrophobicContact CE2-CG 3.79Å; Y171-L247 HydrophobicContact CD1-CD1 3.86Å; Y171-L247 HydrophobicContact CD2-CD1 3.57Å; Y171-L247 HydrophobicContact CE1-CD1 4.25Å; Y171-L247 HydrophobicContact CE2-CD1 4Å; Y171-L247 HydrophobicContact CG-CD1 3.51Å; Y171-L312 HydrophobicContact CD1-CD1 3.98Å; Y171-L312 HydrophobicContact CD1-CG 4.09Å; Y171-L312 HydrophobicContact CG-CD1 4.33Å; Y171-H313 CarbonylContact C-O 3.53Å; Y171-H313 WeakPolarHBondContact CA-O 3.49Å; Y171-L314 HydrophobicContact CD1-CB 3.93Å; Y171-L314 HydrophobicContact CD1-CD1 4.47Å; Y171-L314 HydrophobicContact CD2-CD1 3.97Å; Y171-L314 HydrophobicContact CE1-CB 3.59Å; Y171-L314 HydrophobicContact CE1-CD1 4.23Å; Y171-L314 HydrophobicContact CE1-CG 4.34Å; Y171-L314 HydrophobicContact CE2-CD1 3.69Å; Y171-L314 HydrophobicContact CG-CD1 4.34Å |
| 172 | C | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 134.6 | 164.7 | -69.6 | 0 | 0 | 0 | 0 | 108.6 | L234 V235 H313 H315 L335 F339 | C172-L234 HydrophobicContact CB-CD1 4.28Å; C172-V235 CarbonylContact C-O 3.54Å; C172-V235 WeakPolarHBondContact CA-O 3.42Å; C172-H313 PolarHBondContact N-O 3.05Å; C172-H313 PolarHBondContact O-N 2.91Å; C172-H315 HydrophobicContact CB-CB 4.37Å; C172-L335 HydrophobicContact CB-CD2 4.39Å; C172-F339 HydrophobicContact CB-CZ 4.04Å |
| 173 | A | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L234 V235 L237 V258 H311 L312 | A173-L234 CarbonylContact O-C 3.32Å; A173-L234 WeakPolarHBondContact O-CA 3.5Å; A173-V235 PolarHBondContact N-O 3.23Å; A173-V235 PolarHBondContact O-N 2.86Å; A173-L237 HydrophobicContact CB-CD1 3.78Å; A173-V258 HydrophobicContact CB-CG1 4.45Å; A173-V258 HydrophobicContact CB-CG2 4.33Å; A173-H311 WeakPolarHBondContact CA-O 3.09Å; A173-L312 HydrophobicContact CB-CD1 3.99Å |
| 174 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.3 | 163.9 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | A233 V258 L259 H311 F339 T342 L343 L346 L348 | V174-A233 CarbonylContact C-O 3.54Å; V174-A233 WeakPolarHBondContact CA-O 3.23Å; V174-V258 CarbonylContact O-C 3.47Å; V174-V258 WeakPolarHBondContact O-CA 3.36Å; V174-L259 HydrophobicContact CB-CB 4.27Å; V174-L259 HydrophobicContact CG1-CB 4.22Å; V174-L259 HydrophobicContact CG1-CD2 4.07Å; V174-L259 WeakPolarHBondContact O-CB 3.4Å; V174-L259 PolarHBondContact O-N 3.02Å; V174-H311 HydrophobicContact CB-CB 3.76Å; V174-H311 HydrophobicContact CG2-CB 4.09Å; V174-H311 PolarHBondContact N-O 3.12Å; V174-H311 VanDerWaalsContact N-O 3.1Å; V174-F339 HydrophobicContact CG2-CD1 4.29Å; V174-F339 HydrophobicContact CG2-CE1 3.63Å; V174-F339 HydrophobicContact CG2-CE2 4.46Å; V174-F339 HydrophobicContact CG2-CZ 3.72Å; V174-T342 HydrophobicContact CG1-CG2 4.19Å; V174-T342 HydrophobicContact CG2-CG2 4.42Å; V174-L343 HydrophobicContact CG2-CD2 3.69Å; V174-L346 HydrophobicContact CG1-CD1 3.82Å; V174-L348 HydrophobicContact CG1-CD1 4.18Å |
| 175 | T | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 141 | -177.8 | 60.2 | 0 | 0 | 0 | 0 | 111.2 | G177 C232 A233 V235 M251 C256 P257 | T175-G177 PolarHBondContact O-N 3.44Å; T175-G177 PolarHBondContact OG1-O 3.47Å; T175-C232 VanDerWaalsContact O-CA 3.24Å; T175-C232 WeakPolarHBondContact O-CA 3.38Å; T175-C232 WeakPolarHBondContact O-CB 3.23Å; T175-A233 PolarHBondContact N-O 2.88Å; T175-A233 PolarHBondContact O-N 3.33Å; T175-A233 WeakPolarHBondContact OG1-CB 3.46Å; T175-A233 PolarHBondContact OG1-O 3.43Å; T175-V235 HydrophobicContact CG2-CG2 3.9Å; T175-M251 HydrophobicContact CG2-CE 3.63Å; T175-M251 HydrophobicContact CG2-CG 4.41Å; T175-M251 HydrophobicContact CG2-SD 4.43Å; T175-C256 WeakPolarHBondContact CB-O 3.38Å; T175-C256 WeakPolarHBondContact CG2-O 3.4Å; T175-P257 WeakPolarHBondContact CA-O 3.41Å |
| 176 | N | 98 | Very high | 97.6 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 7% | 0.07 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 109.6 | 163.9 | 173.7 | -6.5 | 0 | 0 | 0 | 107.8 | C256 P257 R275 | N176-C256 WeakPolarHBondContact O-CA 3.32Å; N176-P257 HydrophobicContact CB-CG 4.5Å; N176-P257 PolarHBondContact N-O 2.89Å; N176-P257 WeakPolarHBondContact O-CD 3.47Å; N176-R275 PolarHBondContact O-NH2 2.93Å; N176-R275 PolarHBondContact OD1-NH1 3.14Å |
| 177 | G | 97.1 | Very high | 97.8 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | 99.5 | 161.6 | -165.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T175 G231 | T175-G177 PolarHBondContact O-N 3.44Å; T175-G177 PolarHBondContact OG1-O 3.47Å; G177-G231 CarbonylContact C-O 3.56Å; G177-G231 WeakPolarHBondContact CA-O 3.4Å; G177-G231 PolarHBondContact N-O 2.82Å |
| 178 | I | 98 | Very high | 97.9 | Very high | 77 Ų | 77 | 43 Ų | 43 | 40% | 0.395 | 25% | 0.245 | S | C | . | . | trans | -115.9 | 123.3 | 179.7 | -59.3 | 168.7 | 0 | 0 | 0 | 107.7 | T180 T228 A233 C256 | I178-T180 PolarHBondContact O-N 3.27Å; I178-T228 HydrophobicContact CD1-CG2 4.11Å; I178-T228 HydrophobicContact CG1-CG2 4.21Å; I178-T228 HydrophobicContact CG2-CG2 3.72Å; I178-A233 HydrophobicContact CG1-CB 4.27Å; I178-A233 HydrophobicContact CG2-CB 4.43Å; I178-C256 PolarHBondContact O-SG 3Å | ||
| 179 | P | 97.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | trans | -55.1 | 137.3 | 174.8 | -27.4 | 36.1 | 0 | 0 | 0 | 111.6 | A181 F223 V225 V235 M251 C256 | P179-A181 VanDerWaalsContact C-N 3.29Å; P179-A181 PolarHBondContact O-N 2.98Å; P179-F223 HydrophobicContact CB-CE2 3.87Å; P179-F223 HydrophobicContact CG-CE2 4.45Å; P179-V225 HydrophobicContact CB-CG2 4.22Å; P179-V225 HydrophobicContact CG-CG2 4.05Å; P179-V235 HydrophobicContact CG-CG2 4.3Å; P179-M251 HydrophobicContact CG-CE 3.94Å; P179-C256 HydrophobicContact CG-CB 4.26Å; P179-C256 VanDerWaalsContact N-SG 3.39Å | ||
| 180 | T | 96.2 | Very high | 97.9 | Very high | 149 Ų | 149 | 41.9 Ų | 41.9 | 91% | 0.914 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -59.5 | -40.3 | -177.3 | -50.5 | 0 | 0 | 0 | 0 | 112.5 | I178 | I178-T180 PolarHBondContact O-N 3.27Š|
| 181 | A | 97.4 | Very high | 97.8 | Very high | 47 Ų | 47 | 44.7 Ų | 44.7 | 39% | 0.388 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -92.1 | 140.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | P179 E183 F223 | P179-A181 VanDerWaalsContact C-N 3.29Å; P179-A181 PolarHBondContact O-N 2.98Å; A181-E183 VanDerWaalsContact C-N 3.27Å; A181-E183 PolarHBondContact O-N 3.44Å; A181-F223 HydrophobicContact CB-CZ 4.23Å; A181-F223 VanDerWaalsContact O-CE2 3.29Å; A181-F223 WeakPolarHBondContact O-CE2 3.25Å |
| 182 | S | 97.1 | Very high | 97.6 | Very high | 87 Ų | 87 | 47.7 Ų | 47.7 | 61% | 0.608 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -72.4 | -20.4 | 177.5 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | R224 V225 | S182-R224 CarbonylContact O-C 3.56Å; S182-R224 WeakPolarHBondContact O-CA 3.35Å; S182-V225 PolarHBondContact O-N 3.5Å |
| 183 | E | 98.3 | Very high | 97.3 | Very high | 120 Ų | 120 | 50.3 Ų | 50.3 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 160.7 | 174.3 | 59.3 | -179.9 | -149.2 | 0 | 0 | 110.6 | A181 F223 R224 | A181-E183 VanDerWaalsContact C-N 3.27Å; A181-E183 PolarHBondContact O-N 3.44Å; E183-F223 CarbonylContact C-O 3.54Å; E183-F223 VanDerWaalsContact CA-O 3.24Å; E183-F223 WeakPolarHBondContact CA-O 3.42Å; E183-F223 WeakPolarHBondContact CB-O 3.21Å; E183-R224 HydrophobicContact CB-CB 4.23Å; E183-R224 HydrophobicContact CB-CG 4.25Å |
| 184 | G | 98 | Very high | 96.8 | Very high | 32 Ų | 32 | 56.1 Ų | 56.1 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.4 | -160.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | H222 F223 | G184-H222 WeakPolarHBondContact O-CA 3.41Å; G184-F223 VanDerWaalsContact C-CD1 3.48Å; G184-F223 PolarHBondContact N-O 2.78Å; G184-F223 VanDerWaalsContact O-CD1 3.32Å; G184-F223 WeakPolarHBondContact O-CD1 3.24Å; G184-F223 PolarHBondContact O-N 3.41Å |
| 185 | K | 98.3 | Very high | 96 | Very high | 141 Ų | 141 | 57.6 Ų | 57.6 | 61% | 0.613 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 135.3 | 178.7 | -53 | -167.6 | -177.7 | -179.4 | 0 | 109.7 | L220 S221 H222 | K185-L220 HydrophobicContact CB-CD1 4Å; K185-L220 HydrophobicContact CD-CD1 4.38Å; K185-S221 CarbonylContact C-O 3.54Å; K185-S221 WeakPolarHBondContact CA-O 3.36Å; K185-H222 WeakPolarHBondContact CD-NE2 3.31Å; K185-H222 VanDerWaalsContact CE-NE2 3.28Å; K185-H222 WeakPolarHBondContact CE-NE2 3.42Å |
| 186 | I | 98.2 | Very high | 95.1 | Very high | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 116.9 | 172.1 | -51.8 | 165.7 | 0 | 0 | 0 | 106.9 | L220 S221 F223 H250 M251 Q254 | I186-L220 WeakPolarHBondContact O-CA 3.47Å; I186-S221 PolarHBondContact N-O 3.07Å; I186-S221 PolarHBondContact O-N 3.3Å; I186-F223 HydrophobicContact CD1-CB 4.36Å; I186-F223 HydrophobicContact CD1-CD1 3.8Å; I186-F223 HydrophobicContact CD1-CE1 4.36Å; I186-F223 HydrophobicContact CD1-CG 4.19Å; I186-F223 HydrophobicContact CG1-CD1 3.64Å; I186-F223 HydrophobicContact CG1-CE1 3.94Å; I186-F223 HydrophobicContact CG1-CG 4.5Å; I186-H250 HydrophobicContact CB-CB 4.18Å; I186-H250 HydrophobicContact CD1-CB 3.99Å; I186-H250 HydrophobicContact CG2-CB 3.69Å; I186-H250 PolarHBondContact O-CE1 3.19Å; I186-M251 HydrophobicContact CD1-SD 4.29Å; I186-Q254 HydrophobicContact CD1-CG 3.6Å; I186-Q254 HydrophobicContact CG1-CG 3.97Å |
| 187 | Q | 97.4 | Very high | 94.2 | Very high | 142 Ų | 142 | 65.2 Ų | 65.2 | 66% | 0.664 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 126.7 | 178.7 | -173.3 | 173.8 | -40.9 | 0 | 0 | 109.8 | T219 L220 | Q187-T219 WeakPolarHBondContact CA-O 3.49Å; Q187-T219 WeakPolarHBondContact CG-O 3.34Å; Q187-L220 HydrophobicContact CB-CD1 4.16Å |
| 188 | A | 97.2 | Very high | 93.6 | Very high | 13 Ų | 13 | 68.3 Ų | 68.3 | 11% | 0.107 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 144.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L190 T219 L253 | A188-L190 HydrophobicContact CB-CD2 3.92Å; A188-T219 PolarHBondContact N-O 3.01Å; A188-T219 VanDerWaalsContact N-O 3.12Å; A188-T219 PolarHBondContact O-N 3.19Å; A188-T219 PolarHBondContact O-OG1 2.88Å; A188-L253 HydrophobicContact CB-CD1 3.52Å |
| 189 | A | 97.8 | Very high | 93.2 | Very high | 11 Ų | 11 | 69.3 Ų | 69.3 | 9% | 0.091 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 127.9 | 166 | 0 | 0 | 0 | 0 | 0 | 108.5 | P203 V204 P207 V216 K217 | A189-P203 CarbonylContact O-C 3.59Å; A189-P203 WeakPolarHBondContact O-CA 3.41Å; A189-V204 HydrophobicContact CB-CB 4.45Å; A189-V204 PolarHBondContact O-N 3.44Å; A189-P207 HydrophobicContact CB-CB 4.22Å; A189-P207 HydrophobicContact CB-CG 3.63Å; A189-V216 HydrophobicContact CB-CG1 3.71Å; A189-K217 CarbonylContact C-O 3.56Å; A189-K217 WeakPolarHBondContact CA-O 3.46Å |
| 190 | L | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 142.9 | -175.6 | -55.8 | -176 | 0 | 0 | 0 | 110.3 | A188 T201 V202 P203 V216 K217 T219 F243 Q246 V249 | A188-L190 HydrophobicContact CB-CD2 3.92Å; L190-T201 HydrophobicContact CB-CG2 3.94Å; L190-T201 HydrophobicContact CD1-CG2 3.83Å; L190-T201 HydrophobicContact CD2-CG2 4.33Å; L190-T201 HydrophobicContact CG-CG2 4.25Å; L190-V202 WeakPolarHBondContact CA-O 3.46Å; L190-P203 HydrophobicContact CD2-CB 4.23Å; L190-V216 WeakPolarHBondContact O-CA 3.39Å; L190-K217 PolarHBondContact N-O 2.94Å; L190-K217 PolarHBondContact O-N 3.4Å; L190-T219 HydrophobicContact CB-CG2 4.23Å; L190-T219 HydrophobicContact CD1-CG2 3.75Å; L190-T219 WeakPolarHBondContact CD1-OG1 3.36Å; L190-T219 HydrophobicContact CG-CG2 3.92Å; L190-T219 WeakPolarHBondContact CG-OG1 3.3Å; L190-F243 HydrophobicContact CB-CD1 3.73Å; L190-F243 HydrophobicContact CB-CE1 3.69Å; L190-F243 HydrophobicContact CB-CG 4.31Å; L190-F243 HydrophobicContact CB-CZ 4.19Å; L190-F243 HydrophobicContact CD1-CD1 3.91Å; L190-F243 HydrophobicContact CD1-CG 4.43Å; L190-F243 HydrophobicContact CG-CD1 4.47Å; L190-Q246 HydrophobicContact CD1-CB 4.32Å; L190-Q246 HydrophobicContact CD1-CG 4.15Å; L190-V249 HydrophobicContact CD2-CG1 3.87Å |
| 191 | K | 96.2 | Very high | 93 | Very high | 62 Ų | 62 | 62.1 Ų | 62.1 | 27% | 0.27 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 157.7 | 164.6 | 60.7 | 179.9 | -173.9 | 163.5 | 0 | 110.5 | E193 T201 V202 V204 V216 | K191-E193 WeakPolarHBondContact CE-OE2 3.49Å; K191-E193 IonicContact NZ-OE1 2.77Å; K191-E193 PolarHBondContact NZ-OE1 3.02Å; K191-E193 IonicContact NZ-OE2 3.1Å; K191-E193 PolarHBondContact NZ-OE2 3.24Å; K191-E193 VanDerWaalsContact NZ-OE2 3.1Å; K191-T201 WeakPolarHBondContact O-CA 3.27Å; K191-V202 HydrophobicContact CD-CG2 3.99Å; K191-V202 HydrophobicContact CG-CG2 3.38Å; K191-V202 PolarHBondContact N-O 2.87Å; K191-V202 PolarHBondContact O-N 3.21Å; K191-V204 HydrophobicContact CB-CG2 4.22Å; K191-V204 HydrophobicContact CD-CG2 3.73Å; K191-V204 HydrophobicContact CG-CG2 3.61Å; K191-V216 HydrophobicContact CB-CG2 3.86Å; K191-V216 HydrophobicContact CD-CG2 4.49Å; K191-V216 HydrophobicContact CG-CG2 4.5Å |
| 192 | L | 94.4 | Very high | 92.9 | Very high | 89 Ų | 89 | 59.9 Ų | 59.9 | 47% | 0.466 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.7 | 164.5 | -163.8 | 70.9 | 0 | 0 | 0 | 107.5 | N199 L200 | L192-N199 HydrophobicContact CD1-CB 4.04Å; L192-N199 HydrophobicContact CD2-CB 4.02Å; L192-N199 HydrophobicContact CG-CB 3.98Å; L192-L200 WeakPolarHBondContact CA-O 3.41Å |
| 193 | E | 91.5 | Very high | 92.8 | Very high | 55 Ų | 55 | 57.3 Ų | 57.3 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 139.7 | -178.9 | -171.6 | 158.2 | -138.9 | 0 | 0 | 109.7 | K191 I195 N199 L200 V202 | K191-E193 WeakPolarHBondContact CE-OE2 3.49Å; K191-E193 IonicContact NZ-OE1 2.77Å; K191-E193 PolarHBondContact NZ-OE1 3.02Å; K191-E193 IonicContact NZ-OE2 3.1Å; K191-E193 PolarHBondContact NZ-OE2 3.24Å; K191-E193 VanDerWaalsContact NZ-OE2 3.1Å; E193-I195 HydrophobicContact CB-CD1 4.45Å; E193-I195 HydrophobicContact CB-CG1 4.38Å; E193-I195 HydrophobicContact CG-CD1 4.19Å; E193-I195 HydrophobicContact CG-CG1 3.91Å; E193-N199 CarbonylContact O-C 3.54Å; E193-N199 WeakPolarHBondContact O-CA 3.31Å; E193-L200 PolarHBondContact N-O 3.38Å; E193-L200 PolarHBondContact O-N 3.38Å; E193-V202 HydrophobicContact CB-CG1 4.35Å; E193-V202 HydrophobicContact CB-CG2 4.11Å; E193-V202 VanDerWaalsContact OE2-CG2 3.27Å; E193-V202 WeakPolarHBondContact OE2-CG2 3.28Å |
| 194 | H | 88.6 | Confident | 92.6 | Very high | 121 Ų | 121 | 52.9 Ų | 52.9 | 56% | 0.56 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 109.3 | 178.9 | -166.5 | 73.3 | 0 | 0 | 0 | 109.2 | G197 N199 | H194-G197 PolarHBondContact CE1-O 3.17Å; H194-G197 WeakPolarHBondContact NE2-CA 3.48Å; H194-N199 PolarHBondContact ND1-OD1 2.78Å |
| 195 | I | 82.8 | Confident | 92.3 | Very high | 31 Ų | 31 | 60.9 Ų | 60.9 | 16% | 0.159 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 121.8 | -176.6 | -55.8 | 178 | 0 | 0 | 0 | 107.6 | E193 G197 V198 L200 V202 | E193-I195 HydrophobicContact CB-CD1 4.45Å; E193-I195 HydrophobicContact CB-CG1 4.38Å; E193-I195 HydrophobicContact CG-CD1 4.19Å; E193-I195 HydrophobicContact CG-CG1 3.91Å; I195-G197 VanDerWaalsContact C-N 3.29Å; I195-G197 PolarHBondContact O-N 3.07Å; I195-V198 PolarHBondContact N-O 2.92Å; I195-V198 PolarHBondContact O-N 3.28Å; I195-V198 VanDerWaalsContact O-O 3.11Å; I195-L200 HydrophobicContact CB-CD1 4.24Å; I195-L200 HydrophobicContact CD1-CD1 4.36Å; I195-V202 HydrophobicContact CD1-CG1 4.25Å |
| 196 | D | 79.2 | Confident | 91.9 | Very high | 114 Ų | 114 | 58.8 Ų | 58.8 | 61% | 0.61 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 44.4 | 178.3 | -65.8 | -19.5 | 0 | 0 | 0 | 114 | V198 K284 | D196-V198 VanDerWaalsContact C-N 3.27Å; D196-V198 PolarHBondContact O-N 2.89Å; D196-K284 VanDerWaalsContact OD2-CD 3.3Å; D196-K284 WeakPolarHBondContact OD2-CD 3.32Å; D196-K284 WeakPolarHBondContact OD2-CE 3.43Å; D196-K284 IonicContact OD2-NZ 3.66Å; D196-K284 PolarHBondContact OD2-NZ 3.36Å |
| 197 | G | 80.3 | Confident | 91.5 | Very high | 59 Ų | 59 | 60.3 Ų | 60.3 | 61% | 0.608 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -0.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | H194 I195 | H194-G197 PolarHBondContact CE1-O 3.17Å; H194-G197 WeakPolarHBondContact NE2-CA 3.48Å; I195-G197 VanDerWaalsContact C-N 3.29Å; I195-G197 PolarHBondContact O-N 3.07Å |
| 198 | V | 84.4 | Confident | 91.3 | Very high | 74 Ų | 74 | 56.1 Ų | 56.1 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134.6 | -177.6 | -173.7 | 0 | 0 | 0 | 0 | 110.8 | I195 D196 L200 | I195-V198 PolarHBondContact N-O 2.92Å; I195-V198 PolarHBondContact O-N 3.28Å; I195-V198 VanDerWaalsContact O-O 3.11Å; D196-V198 VanDerWaalsContact C-N 3.27Å; D196-V198 PolarHBondContact O-N 2.89Å; V198-L200 HydrophobicContact CG1-CD2 3.8Å; V198-L200 HydrophobicContact CG1-CG 4.23Å; V198-L200 PolarHBondContact O-N 2.83Å |
| 199 | N | 89.4 | Confident | 91 | Very high | 98 Ų | 98 | 66 Ų | 66 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 110.9 | 172.8 | -70.3 | -28.3 | 0 | 0 | 0 | 110.2 | L192 E193 H194 | L192-N199 HydrophobicContact CD1-CB 4.04Å; L192-N199 HydrophobicContact CD2-CB 4.02Å; L192-N199 HydrophobicContact CG-CB 3.98Å; E193-N199 CarbonylContact O-C 3.54Å; E193-N199 WeakPolarHBondContact O-CA 3.31Å; H194-N199 PolarHBondContact ND1-OD1 2.78Å |
| 200 | L | 93.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.016 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 144.4 | -178.5 | -62.7 | 179.2 | 0 | 0 | 0 | 111.5 | L192 E193 I195 V198 T263 Y264 P285 | L192-L200 WeakPolarHBondContact CA-O 3.41Å; E193-L200 PolarHBondContact N-O 3.38Å; E193-L200 PolarHBondContact O-N 3.38Å; I195-L200 HydrophobicContact CB-CD1 4.24Å; I195-L200 HydrophobicContact CD1-CD1 4.36Å; V198-L200 HydrophobicContact CG1-CD2 3.8Å; V198-L200 HydrophobicContact CG1-CG 4.23Å; V198-L200 PolarHBondContact O-N 2.83Å; L200-T263 HydrophobicContact CD2-CG2 3.59Å; L200-Y264 HydrophobicContact CD2-CE1 4.48Å; L200-P285 HydrophobicContact CD1-CG 3.58Å; L200-P285 HydrophobicContact CD2-CG 3.82Å; L200-P285 HydrophobicContact CG-CG 4.32Å |
| 201 | T | 95 | Very high | 90.5 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 124.6 | 170.3 | -61.4 | 0 | 0 | 0 | 0 | 109.9 | L190 K191 F243 S244 V249 Y264 R267 | L190-T201 HydrophobicContact CB-CG2 3.94Å; L190-T201 HydrophobicContact CD1-CG2 3.83Å; L190-T201 HydrophobicContact CD2-CG2 4.33Å; L190-T201 HydrophobicContact CG-CG2 4.25Å; K191-T201 WeakPolarHBondContact O-CA 3.27Å; T201-F243 HydrophobicContact CG2-CD1 3.83Å; T201-F243 HydrophobicContact CG2-CE1 3.65Å; T201-S244 PolarHBondContact OG1-O 2.86Å; T201-V249 HydrophobicContact CG2-CG2 3.9Å; T201-Y264 PolarHBondContact N-OH 3.36Å; T201-Y264 VanDerWaalsContact N-OH 3.1Å; T201-Y264 VanDerWaalsContact O-CE1 3.29Å; T201-Y264 WeakPolarHBondContact O-CE1 3.44Å; T201-R267 PolarHBondContact O-NH1 3.31Å; T201-R267 PolarHBondContact O-NH2 3.25Å |
| 202 | V | 95.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.5 | 178.3 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | L190 K191 E193 I195 A280 | L190-V202 WeakPolarHBondContact CA-O 3.46Å; K191-V202 HydrophobicContact CD-CG2 3.99Å; K191-V202 HydrophobicContact CG-CG2 3.38Å; K191-V202 PolarHBondContact N-O 2.87Å; K191-V202 PolarHBondContact O-N 3.21Å; E193-V202 HydrophobicContact CB-CG1 4.35Å; E193-V202 HydrophobicContact CB-CG2 4.11Å; E193-V202 VanDerWaalsContact OE2-CG2 3.27Å; E193-V202 WeakPolarHBondContact OE2-CG2 3.28Å; I195-V202 HydrophobicContact CD1-CG1 4.25Å; V202-A280 HydrophobicContact CB-CB 3.99Å; V202-A280 HydrophobicContact CG1-CB 3.91Å |
| 203 | P | 95.3 | Very high | 90 | Very high | 33 Ų | 33 | 77.8 Ų | 77.8 | 21% | 0.214 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 138.1 | 171.8 | 31.8 | -33.6 | 0 | 0 | 0 | 111 | A189 L190 L253 | A189-P203 CarbonylContact O-C 3.59Å; A189-P203 WeakPolarHBondContact O-CA 3.41Å; L190-P203 HydrophobicContact CD2-CB 4.23Å; P203-L253 HydrophobicContact CB-CD1 4.5Å; P203-L253 HydrophobicContact CB-CD2 4.3Å; P203-L253 HydrophobicContact CG-CD2 4.22Å |
| 204 | V | 94.5 | Very high | 90 | Very high | 28 Ų | 28 | 81.4 Ų | 81.4 | 17% | 0.17 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 119.5 | 175.9 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | A189 K191 P207 V216 | A189-V204 HydrophobicContact CB-CB 4.45Å; A189-V204 PolarHBondContact O-N 3.44Å; K191-V204 HydrophobicContact CB-CG2 4.22Å; K191-V204 HydrophobicContact CD-CG2 3.73Å; K191-V204 HydrophobicContact CG-CG2 3.61Å; V204-P207 HydrophobicContact CG1-CB 4.19Å; V204-V216 HydrophobicContact CB-CG1 4.43Å; V204-V216 HydrophobicContact CB-CG2 4.36Å; V204-V216 HydrophobicContact CG1-CG2 4.46Å; V204-V216 HydrophobicContact CG2-CG1 4.49Å; V204-V216 HydrophobicContact CG2-CG2 3.81Å |
| 205 | K | 91.2 | Very high | 90.1 | Very high | 199 Ų | 199 | 77.2 Ų | 77.2 | 87% | 0.865 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -76.1 | 131 | 175.1 | -65.9 | -179.2 | -178 | 175.5 | 0 | 109.2 | ||
| 206 | A | 90 | Very high | 90.7 | Very high | 98 Ų | 98 | 76 Ų | 76 | 81% | 0.81 | 42% | 0.415 | S | S | * | . | S | Bend | trans | 45.7 | 63.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S208 | A206-S208 PolarHBondContact O-N 3.22Š|
| 207 | P | 91.3 | Very high | 91.5 | Very high | 36 Ų | 36 | 76 Ų | 76 | 23% | 0.234 | 41% | 0.41 | C | S | . | . | trans | -62.9 | 131.4 | -175.3 | 30 | -38.6 | 0 | 0 | 0 | 111.9 | A189 V204 D211 V216 | A189-P207 HydrophobicContact CB-CB 4.22Å; A189-P207 HydrophobicContact CB-CG 3.63Å; V204-P207 HydrophobicContact CG1-CB 4.19Å; P207-D211 HydrophobicContact CB-CB 4.26Å; P207-V216 HydrophobicContact CB-CG1 3.94Å | ||
| 208 | S | 92.5 | Very high | 92.3 | Very high | 54 Ų | 54 | 80 Ų | 80 | 38% | 0.378 | 41% | 0.41 | S | S | . | . | trans | -75.1 | 171.4 | 172.5 | 74.5 | 0 | 0 | 0 | 0 | 111.8 | A206 K210 D211 I212 | A206-S208 PolarHBondContact O-N 3.22Å; S208-K210 VanDerWaalsContact C-N 3.25Å; S208-K210 PolarHBondContact O-N 2.91Å; S208-K210 PolarHBondContact OG-N 2.92Å; S208-D211 WeakPolarHBondContact CA-OD2 3.32Å; S208-D211 VanDerWaalsContact CB-OD2 3.25Å; S208-D211 WeakPolarHBondContact CB-OD2 3.43Å; S208-D211 PolarHBondContact N-OD2 3.44Å; S208-D211 PolarHBondContact O-N 3.43Å; S208-D211 PolarHBondContact OG-N 3.38Å; S208-D211 PolarHBondContact OG-OD2 2.96Å; S208-I212 WeakPolarHBondContact O-CG1 3.39Å; S208-I212 PolarHBondContact O-N 3Å | ||
| 209 | R | 91.4 | Very high | 92.9 | Very high | 221 Ų | 221 | 76.5 Ų | 76.5 | 83% | 0.834 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.1 | -36.4 | 171.9 | -72.8 | -175.8 | 179.9 | 175.6 | 0.4 | 111.9 | I212 L213 | R209-I212 PolarHBondContact O-N 3.24Å; R209-L213 WeakPolarHBondContact O-CG 3.47Å; R209-L213 PolarHBondContact O-N 3.38Å |
| 210 | K | 92.4 | Very high | 93.4 | Very high | 135 Ų | 135 | 72.6 Ų | 72.6 | 59% | 0.587 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.7 | -46.6 | 177.6 | -179.2 | 179.6 | 170.2 | -177.5 | 0 | 110.7 | S208 I212 L213 E214 | S208-K210 VanDerWaalsContact C-N 3.25Å; S208-K210 PolarHBondContact O-N 2.91Å; S208-K210 PolarHBondContact OG-N 2.92Å; K210-I212 VanDerWaalsContact C-N 3.27Å; K210-I212 PolarHBondContact O-N 2.95Å; K210-L213 WeakPolarHBondContact O-CB 3.34Å; K210-L213 PolarHBondContact O-N 2.9Å; K210-E214 WeakPolarHBondContact CE-OE1 3.17Å; K210-E214 HydrophobicContact CG-CG 4.45Å; K210-E214 IonicContact NZ-OE1 3.78Å; K210-E214 WeakPolarHBondContact O-CG 3.49Å; K210-E214 PolarHBondContact O-N 3.05Å |
| 211 | D | 91.2 | Very high | 93.6 | Very high | 48 Ų | 48 | 72.5 Ų | 72.5 | 26% | 0.257 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.1 | -38.9 | 179.3 | -60.3 | -50.9 | 0 | 0 | 0 | 112.5 | P207 S208 L213 E214 G215 V216 | P207-D211 HydrophobicContact CB-CB 4.26Å; S208-D211 WeakPolarHBondContact CA-OD2 3.32Å; S208-D211 VanDerWaalsContact CB-OD2 3.25Å; S208-D211 WeakPolarHBondContact CB-OD2 3.43Å; S208-D211 PolarHBondContact N-OD2 3.44Å; S208-D211 PolarHBondContact O-N 3.43Å; S208-D211 PolarHBondContact OG-N 3.38Å; S208-D211 PolarHBondContact OG-OD2 2.96Å; D211-L213 VanDerWaalsContact C-N 3.34Å; D211-E214 CarbonylContact O-C 3.57Å; D211-E214 PolarHBondContact O-N 3.24Å; D211-G215 PolarHBondContact O-N 3.45Å; D211-V216 HydrophobicContact CB-CB 4.21Å; D211-V216 HydrophobicContact CB-CG2 3.79Å; D211-V216 VanDerWaalsContact O-CB 3.24Å; D211-V216 WeakPolarHBondContact O-CB 3.28Å; D211-V216 WeakPolarHBondContact O-CG2 3.42Å; D211-V216 PolarHBondContact O-N 3.27Å |
| 212 | I | 91.1 | Very high | 93.8 | Very high | 71 Ų | 71 | 74.7 Ų | 74.7 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 177.9 | -64.9 | 169 | 0 | 0 | 0 | 111.2 | S208 R209 K210 E214 G215 | S208-I212 WeakPolarHBondContact O-CG1 3.39Å; S208-I212 PolarHBondContact O-N 3Å; R209-I212 PolarHBondContact O-N 3.24Å; K210-I212 VanDerWaalsContact C-N 3.27Å; K210-I212 PolarHBondContact O-N 2.95Å; I212-E214 VanDerWaalsContact C-N 3.32Å; I212-G215 PolarHBondContact O-N 3.11Å |
| 213 | L | 90.2 | Very high | 93.9 | Very high | 156 Ų | 156 | 75.3 Ų | 75.3 | 82% | 0.817 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.9 | -34.3 | 174.6 | -67.1 | 170.3 | 0 | 0 | 0 | 111.5 | R209 K210 D211 G215 | R209-L213 WeakPolarHBondContact O-CG 3.47Å; R209-L213 PolarHBondContact O-N 3.38Å; K210-L213 WeakPolarHBondContact O-CB 3.34Å; K210-L213 PolarHBondContact O-N 2.9Å; D211-L213 VanDerWaalsContact C-N 3.34Å; L213-G215 PolarHBondContact O-N 3.23Å |
| 214 | E | 90 | Very high | 94.1 | Very high | 131 Ų | 131 | 79.1 Ų | 79.1 | 61% | 0.612 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 9.7 | 176.8 | -68.4 | 178.5 | 168.4 | 0 | 0 | 113.8 | K210 D211 I212 | K210-E214 WeakPolarHBondContact CE-OE1 3.17Å; K210-E214 HydrophobicContact CG-CG 4.45Å; K210-E214 IonicContact NZ-OE1 3.78Å; K210-E214 WeakPolarHBondContact O-CG 3.49Å; K210-E214 PolarHBondContact O-N 3.05Å; D211-E214 CarbonylContact O-C 3.57Å; D211-E214 PolarHBondContact O-N 3.24Å; I212-E214 VanDerWaalsContact C-N 3.32Å |
| 215 | G | 90.9 | Very high | 94.3 | Very high | 33 Ų | 33 | 78.9 Ų | 78.9 | 34% | 0.34 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.3 | 3.4 | 169 | 0 | 0 | 0 | 0 | 0 | 115.6 | D211 I212 L213 K217 | D211-G215 PolarHBondContact O-N 3.45Å; I212-G215 PolarHBondContact O-N 3.11Å; L213-G215 PolarHBondContact O-N 3.23Å; G215-K217 PolarHBondContact O-N 3.34Å |
| 216 | V | 96.2 | Very high | 94.6 | Very high | 6 Ų | 6 | 70.3 Ų | 70.3 | 4% | 0.036 | 35% | 0.354 | C | S | . | . | trans | -62.8 | 130.4 | 168.8 | 174 | 0 | 0 | 0 | 0 | 110.3 | A189 L190 K191 V204 P207 D211 | A189-V216 HydrophobicContact CB-CG1 3.71Å; L190-V216 WeakPolarHBondContact O-CA 3.39Å; K191-V216 HydrophobicContact CB-CG2 3.86Å; K191-V216 HydrophobicContact CD-CG2 4.49Å; K191-V216 HydrophobicContact CG-CG2 4.5Å; V204-V216 HydrophobicContact CB-CG1 4.43Å; V204-V216 HydrophobicContact CB-CG2 4.36Å; V204-V216 HydrophobicContact CG1-CG2 4.46Å; V204-V216 HydrophobicContact CG2-CG1 4.49Å; V204-V216 HydrophobicContact CG2-CG2 3.81Å; P207-V216 HydrophobicContact CB-CG1 3.94Å; D211-V216 HydrophobicContact CB-CB 4.21Å; D211-V216 HydrophobicContact CB-CG2 3.79Å; D211-V216 VanDerWaalsContact O-CB 3.24Å; D211-V216 WeakPolarHBondContact O-CB 3.28Å; D211-V216 WeakPolarHBondContact O-CG2 3.42Å; D211-V216 PolarHBondContact O-N 3.27Å | ||
| 217 | K | 96.4 | Very high | 95 | Very high | 114 Ų | 114 | 66.6 Ų | 66.6 | 50% | 0.496 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 132.1 | 175.9 | -59 | -59.7 | 178 | -167.6 | 0 | 110.7 | A189 L190 G215 T219 F243 | A189-K217 CarbonylContact C-O 3.56Å; A189-K217 WeakPolarHBondContact CA-O 3.46Å; L190-K217 PolarHBondContact N-O 2.94Å; L190-K217 PolarHBondContact O-N 3.4Å; G215-K217 PolarHBondContact O-N 3.34Å; K217-T219 PolarHBondContact O-N 2.85Å; K217-F243 HydrophobicContact CB-CD2 3.81Å; K217-F243 HydrophobicContact CB-CE2 3.91Å; K217-F243 HydrophobicContact CG-CD2 3.91Å; K217-F243 HydrophobicContact CG-CE2 3.76Å |
| 218 | K | 96.3 | Very high | 95.3 | Very high | 141 Ų | 141 | 68.7 Ų | 68.7 | 61% | 0.613 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 124.4 | 166.3 | -67.2 | -178.2 | -179.1 | 179 | 0 | 108.2 | ||
| 219 | T | 97.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 149.4 | -177.8 | 64.8 | 0 | 0 | 0 | 0 | 111.2 | Q187 A188 L190 K217 T241 F243 Q246 H250 | Q187-T219 WeakPolarHBondContact CA-O 3.49Å; Q187-T219 WeakPolarHBondContact CG-O 3.34Å; A188-T219 PolarHBondContact N-O 3.01Å; A188-T219 VanDerWaalsContact N-O 3.12Å; A188-T219 PolarHBondContact O-N 3.19Å; A188-T219 PolarHBondContact O-OG1 2.88Å; L190-T219 HydrophobicContact CB-CG2 4.23Å; L190-T219 HydrophobicContact CD1-CG2 3.75Å; L190-T219 WeakPolarHBondContact CD1-OG1 3.36Å; L190-T219 HydrophobicContact CG-CG2 3.92Å; L190-T219 WeakPolarHBondContact CG-OG1 3.3Å; K217-T219 PolarHBondContact O-N 2.85Å; T219-T241 WeakPolarHBondContact CA-OG1 3.33Å; T219-T241 WeakPolarHBondContact CB-OG1 3.48Å; T219-F243 HydrophobicContact CG2-CB 3.68Å; T219-F243 HydrophobicContact CG2-CD2 4.48Å; T219-F243 HydrophobicContact CG2-CG 4.09Å; T219-Q246 HydrophobicContact CG2-CG 4.41Å; T219-H250 PolarHBondContact OG1-NE2 3.26Å |
| 220 | L | 98.3 | Very high | 95.7 | Very high | 16 Ų | 16 | 58.9 Ų | 58.9 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 131 | -176.7 | 179.2 | 63.1 | 0 | 0 | 0 | 110.1 | K185 I186 Q187 L240 T241 Q246 | K185-L220 HydrophobicContact CB-CD1 4Å; K185-L220 HydrophobicContact CD-CD1 4.38Å; I186-L220 WeakPolarHBondContact O-CA 3.47Å; Q187-L220 HydrophobicContact CB-CD1 4.16Å; L220-L240 HydrophobicContact CB-CB 4.34Å; L220-L240 HydrophobicContact CD2-CB 4.28Å; L220-L240 HydrophobicContact CD2-CD1 3.54Å; L220-L240 HydrophobicContact CG-CB 4.26Å; L220-L240 HydrophobicContact CG-CD1 3.95Å; L220-L240 PolarHBondContact O-N 3.46Å; L220-T241 HydrophobicContact CB-CG2 4.39Å; L220-T241 PolarHBondContact N-OG1 2.95Å; L220-T241 PolarHBondContact O-N 3.03Å; L220-T241 PolarHBondContact O-OG1 3.4Å; L220-Q246 PolarHBondContact O-NE2 3.22Å; L220-Q246 VanDerWaalsContact O-NE2 3.17Å |
| 221 | S | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 140.5 | 169.5 | -48 | 0 | 0 | 0 | 0 | 109.6 | K185 I186 Q238 Q246 L247 H250 | K185-S221 CarbonylContact C-O 3.54Å; K185-S221 WeakPolarHBondContact CA-O 3.36Å; I186-S221 PolarHBondContact N-O 3.07Å; I186-S221 PolarHBondContact O-N 3.3Å; S221-Q238 WeakPolarHBondContact CA-O 3.14Å; S221-Q246 PolarHBondContact OG-NE2 3.05Å; S221-L247 WeakPolarHBondContact OG-CD2 3.48Å; S221-H250 WeakPolarHBondContact CB-ND1 3.38Å; S221-H250 PolarHBondContact OG-CE1 3.42Å; S221-H250 PolarHBondContact OG-ND1 3.26Å |
| 222 | H | 98.6 | Very high | 96.2 | Very high | 47 Ų | 47 | 52.5 Ų | 52.5 | 22% | 0.218 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 147.7 | 162.5 | -62.3 | 172.5 | 0 | 0 | 0 | 109.2 | G184 K185 L237 Q238 L240 | G184-H222 WeakPolarHBondContact O-CA 3.41Å; K185-H222 WeakPolarHBondContact CD-NE2 3.31Å; K185-H222 VanDerWaalsContact CE-NE2 3.28Å; K185-H222 WeakPolarHBondContact CE-NE2 3.42Å; H222-L237 WeakPolarHBondContact O-CA 3.22Å; H222-Q238 HydrophobicContact CB-CB 4.25Å; H222-Q238 PolarHBondContact N-O 3.34Å; H222-Q238 PolarHBondContact O-N 2.82Å; H222-L240 WeakPolarHBondContact NE2-CD1 3.38Å |
| 223 | F | 98.7 | Very high | 96.6 | Very high | 12 Ų | 12 | 49.1 Ų | 49.1 | 5% | 0.053 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 153 | 174.1 | 79.4 | -81.3 | 0 | 0 | 0 | 111.4 | P179 A181 E183 G184 I186 V235 Q236 L237 | P179-F223 HydrophobicContact CB-CE2 3.87Å; P179-F223 HydrophobicContact CG-CE2 4.45Å; A181-F223 HydrophobicContact CB-CZ 4.23Å; A181-F223 VanDerWaalsContact O-CE2 3.29Å; A181-F223 WeakPolarHBondContact O-CE2 3.25Å; E183-F223 CarbonylContact C-O 3.54Å; E183-F223 VanDerWaalsContact CA-O 3.24Å; E183-F223 WeakPolarHBondContact CA-O 3.42Å; E183-F223 WeakPolarHBondContact CB-O 3.21Å; G184-F223 VanDerWaalsContact C-CD1 3.48Å; G184-F223 PolarHBondContact N-O 2.78Å; G184-F223 VanDerWaalsContact O-CD1 3.32Å; G184-F223 WeakPolarHBondContact O-CD1 3.24Å; G184-F223 PolarHBondContact O-N 3.41Å; I186-F223 HydrophobicContact CD1-CB 4.36Å; I186-F223 HydrophobicContact CD1-CD1 3.8Å; I186-F223 HydrophobicContact CD1-CE1 4.36Å; I186-F223 HydrophobicContact CD1-CG 4.19Å; I186-F223 HydrophobicContact CG1-CD1 3.64Å; I186-F223 HydrophobicContact CG1-CE1 3.94Å; I186-F223 HydrophobicContact CG1-CG 4.5Å; F223-V235 HydrophobicContact CB-CG1 4.06Å; F223-V235 HydrophobicContact CD2-CG1 4.27Å; F223-Q236 CarbonylContact C-O 3.55Å; F223-Q236 WeakPolarHBondContact CA-O 3.48Å; F223-L237 HydrophobicContact CB-CD2 3.56Å |
| 224 | R | 98.5 | Very high | 97 | Very high | 113 Ų | 113 | 41.7 Ų | 41.7 | 43% | 0.426 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 128.4 | 172.9 | -179.5 | 175 | 179.5 | -124.8 | -3.6 | 109.5 | S182 E183 V226 V235 Q236 | S182-R224 CarbonylContact O-C 3.56Å; S182-R224 WeakPolarHBondContact O-CA 3.35Å; E183-R224 HydrophobicContact CB-CB 4.23Å; E183-R224 HydrophobicContact CB-CG 4.25Å; R224-V226 PolarHBondContact O-N 3.21Å; R224-V235 CarbonylContact O-C 3.58Å; R224-V235 WeakPolarHBondContact O-CA 3.44Å; R224-Q236 PolarHBondContact N-O 2.88Å; R224-Q236 PolarHBondContact O-N 3.3Å |
| 225 | V | 98.6 | Very high | 97.4 | Very high | 24 Ų | 24 | 35.5 Ų | 35.5 | 15% | 0.145 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 120.9 | 171.7 | -179.7 | 0 | 0 | 0 | 0 | 108 | P179 S182 T228 A233 V235 | P179-V225 HydrophobicContact CB-CG2 4.22Å; P179-V225 HydrophobicContact CG-CG2 4.05Å; S182-V225 PolarHBondContact O-N 3.5Å; V225-T228 HydrophobicContact CG1-CG2 3.55Å; V225-A233 HydrophobicContact CG1-CB 4.07Å; V225-V235 HydrophobicContact CG2-CG2 4.36Å |
| 226 | V | 98.1 | Very high | 97.8 | Very high | 18 Ų | 18 | 35.7 Ų | 35.7 | 11% | 0.109 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -42.1 | -178.2 | 179.2 | 0 | 0 | 0 | 0 | 111 | R224 L234 Q236 Q351 | R224-V226 PolarHBondContact O-N 3.21Å; V226-L234 HydrophobicContact CB-CD2 4.41Å; V226-L234 HydrophobicContact CB-CG 4.23Å; V226-L234 HydrophobicContact CG1-CD2 4.34Å; V226-L234 PolarHBondContact N-O 2.92Å; V226-Q236 HydrophobicContact CG2-CB 4.09Å; V226-Q236 HydrophobicContact CG2-CG 3.58Å; V226-Q351 HydrophobicContact CG1-CB 4.35Å; V226-Q351 HydrophobicContact CG1-CG 4.07Å |
| 227 | A | 98.2 | Very high | 97.9 | Very high | 21 Ų | 21 | 35.4 Ų | 35.4 | 17% | 0.174 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 153.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | A233 L234 L348 | A227-A233 CarbonylContact O-C 3.54Å; A227-A233 WeakPolarHBondContact O-CA 3.33Å; A227-L234 HydrophobicContact CB-CB 4.25Å; A227-L234 PolarHBondContact N-O 2.94Å; A227-L234 PolarHBondContact O-N 2.82Å; A227-L348 HydrophobicContact CB-CB 4.45Å; A227-L348 HydrophobicContact CB-CD2 3.92Å |
| 228 | T | 98.3 | Very high | 98 | Very high | 80 Ų | 80 | 32 Ų | 32 | 49% | 0.491 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 150.4 | 173.5 | 59.5 | 0 | 0 | 0 | 0 | 109.8 | I178 V225 C232 A233 | I178-T228 HydrophobicContact CD1-CG2 4.11Å; I178-T228 HydrophobicContact CG1-CG2 4.21Å; I178-T228 HydrophobicContact CG2-CG2 3.72Å; V225-T228 HydrophobicContact CG1-CG2 3.55Å; T228-C232 WeakPolarHBondContact CA-O 3.45Å; T228-A233 HydrophobicContact CG2-CB 4.17Å |
| 229 | G | 96.7 | Very high | 98.1 | Very high | 18 Ų | 18 | 26.5 Ų | 26.5 | 19% | 0.186 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.1 | 137.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G231 C232 | G229-G231 VanDerWaalsContact C-N 3.27Å; G229-G231 PolarHBondContact O-N 2.8Å; G229-C232 PolarHBondContact N-O 2.99Å; G229-C232 WeakPolarHBondContact O-CB 3.15Å; G229-C232 PolarHBondContact O-N 2.94Å |
| 230 | S | 95.3 | Very high | 98 | Very high | 50 Ų | 50 | 26.8 Ų | 26.8 | 35% | 0.35 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 40 | 175.8 | -39.2 | 0 | 0 | 0 | 0 | 113.6 | C232 R297 L346 | S230-C232 PolarHBondContact O-N 2.79Å; S230-R297 PolarHBondContact OG-NE 2.97Å; S230-R297 PolarHBondContact OG-NH2 3.15Å; S230-L346 PolarHBondContact OG-O 2.63Å |
| 231 | G | 95.4 | Very high | 97.9 | Very high | 48 Ų | 48 | 27.7 Ų | 27.7 | 50% | 0.495 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 5.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G177 G229 | G177-G231 CarbonylContact C-O 3.56Å; G177-G231 WeakPolarHBondContact CA-O 3.4Å; G177-G231 PolarHBondContact N-O 2.82Å; G229-G231 VanDerWaalsContact C-N 3.27Å; G229-G231 PolarHBondContact O-N 2.8Å |
| 232 | C | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 163.2 | 178.9 | -63.1 | 0 | 0 | 0 | 0 | 111.2 | T175 T228 G229 S230 L346 | T175-C232 VanDerWaalsContact O-CA 3.24Å; T175-C232 WeakPolarHBondContact O-CA 3.38Å; T175-C232 WeakPolarHBondContact O-CB 3.23Å; T228-C232 WeakPolarHBondContact CA-O 3.45Å; G229-C232 PolarHBondContact N-O 2.99Å; G229-C232 WeakPolarHBondContact O-CB 3.15Å; G229-C232 PolarHBondContact O-N 2.94Å; S230-C232 PolarHBondContact O-N 2.79Å; C232-L346 HydrophobicContact CB-CD1 3.89Å |
| 233 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 146.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V174 T175 I178 V225 A227 T228 V235 | V174-A233 CarbonylContact C-O 3.54Å; V174-A233 WeakPolarHBondContact CA-O 3.23Å; T175-A233 PolarHBondContact N-O 2.88Å; T175-A233 PolarHBondContact O-N 3.33Å; T175-A233 WeakPolarHBondContact OG1-CB 3.46Å; T175-A233 PolarHBondContact OG1-O 3.43Å; I178-A233 HydrophobicContact CG1-CB 4.27Å; I178-A233 HydrophobicContact CG2-CB 4.43Å; V225-A233 HydrophobicContact CG1-CB 4.07Å; A227-A233 CarbonylContact O-C 3.54Å; A227-A233 WeakPolarHBondContact O-CA 3.33Å; T228-A233 HydrophobicContact CG2-CB 4.17Å; A233-V235 HydrophobicContact CB-CG2 3.95Å |
| 234 | L | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 118.6 | 160.7 | 176.1 | 58.7 | 0 | 0 | 0 | 107.9 | C172 A173 V226 A227 F339 L343 L348 L350 | C172-L234 HydrophobicContact CB-CD1 4.28Å; A173-L234 CarbonylContact O-C 3.32Å; A173-L234 WeakPolarHBondContact O-CA 3.5Å; V226-L234 HydrophobicContact CB-CD2 4.41Å; V226-L234 HydrophobicContact CB-CG 4.23Å; V226-L234 HydrophobicContact CG1-CD2 4.34Å; V226-L234 PolarHBondContact N-O 2.92Å; A227-L234 HydrophobicContact CB-CB 4.25Å; A227-L234 PolarHBondContact N-O 2.94Å; A227-L234 PolarHBondContact O-N 2.82Å; L234-F339 HydrophobicContact CD1-CE1 4.15Å; L234-F339 HydrophobicContact CD1-CZ 4.23Å; L234-L343 HydrophobicContact CB-CD2 4.44Å; L234-L343 HydrophobicContact CD1-CD2 4.11Å; L234-L343 HydrophobicContact CD2-CD1 4.43Å; L234-L343 HydrophobicContact CD2-CD2 4.17Å; L234-L343 HydrophobicContact CG-CD2 4.48Å; L234-L348 HydrophobicContact CB-CB 4.4Å; L234-L348 HydrophobicContact CB-CD1 4.31Å; L234-L350 HydrophobicContact CD2-CB 4.07Å; L234-L350 HydrophobicContact CD2-CD1 3.9Å |
| 235 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.6 | -173.8 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | C172 A173 T175 P179 F223 R224 V225 A233 L237 | C172-V235 CarbonylContact C-O 3.54Å; C172-V235 WeakPolarHBondContact CA-O 3.42Å; A173-V235 PolarHBondContact N-O 3.23Å; A173-V235 PolarHBondContact O-N 2.86Å; T175-V235 HydrophobicContact CG2-CG2 3.9Å; P179-V235 HydrophobicContact CG-CG2 4.3Å; F223-V235 HydrophobicContact CB-CG1 4.06Å; F223-V235 HydrophobicContact CD2-CG1 4.27Å; R224-V235 CarbonylContact O-C 3.58Å; R224-V235 WeakPolarHBondContact O-CA 3.44Å; V225-V235 HydrophobicContact CG2-CG2 4.36Å; A233-V235 HydrophobicContact CB-CG2 3.95Å; V235-L237 HydrophobicContact CG1-CD2 3.87Å; V235-L237 HydrophobicContact CG1-CG 4.09Å |
| 236 | Q | 98.6 | Very high | 97 | Very high | 38 Ų | 38 | 29.6 Ų | 29.6 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 130.4 | 164.1 | -83.4 | 173.8 | -2.7 | 0 | 0 | 109.5 | T170 Y171 F223 R224 V226 | T170-Q236 HydrophobicContact CG2-CB 4.12Å; T170-Q236 HydrophobicContact CG2-CG 3.98Å; Y171-Q236 CarbonylContact O-C 3.53Å; Y171-Q236 VanDerWaalsContact O-CA 3.31Å; Y171-Q236 WeakPolarHBondContact O-CA 3.46Å; F223-Q236 CarbonylContact C-O 3.55Å; F223-Q236 WeakPolarHBondContact CA-O 3.48Å; R224-Q236 PolarHBondContact N-O 2.88Å; R224-Q236 PolarHBondContact O-N 3.3Å; V226-Q236 HydrophobicContact CG2-CB 4.09Å; V226-Q236 HydrophobicContact CG2-CG 3.58Å |
| 237 | L | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 126.3 | -179.1 | -64.3 | 169 | 0 | 0 | 0 | 110 | Y171 A173 H222 F223 V235 L247 M251 L312 | Y171-L237 PolarHBondContact N-O 3.1Å; Y171-L237 PolarHBondContact O-N 3.38Å; A173-L237 HydrophobicContact CB-CD1 3.78Å; H222-L237 WeakPolarHBondContact O-CA 3.22Å; F223-L237 HydrophobicContact CB-CD2 3.56Å; V235-L237 HydrophobicContact CG1-CD2 3.87Å; V235-L237 HydrophobicContact CG1-CG 4.09Å; L237-L247 HydrophobicContact CB-CD1 4.25Å; L237-L247 HydrophobicContact CB-CD2 4.05Å; L237-L247 HydrophobicContact CD1-CB 4.2Å; L237-L247 HydrophobicContact CD1-CD1 4.42Å; L237-L247 HydrophobicContact CD1-CD2 4.4Å; L237-M251 HydrophobicContact CD1-CG 3.99Å; L237-M251 HydrophobicContact CD1-SD 4.22Å; L237-M251 HydrophobicContact CD2-CG 4.48Å; L237-M251 HydrophobicContact CD2-SD 3.73Å; L237-L312 HydrophobicContact CD1-CD1 4.21Å |
| 238 | Q | 98.6 | Very high | 97.1 | Very high | 42 Ų | 42 | 28.7 Ų | 28.7 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 92.3 | -179.5 | -68.8 | -176.7 | -31.6 | 0 | 0 | 109.6 | P167 T170 S221 H222 L240 | P167-Q238 HydrophobicContact CB-CB 3.81Å; P167-Q238 HydrophobicContact CB-CG 4.31Å; T170-Q238 HydrophobicContact CG2-CG 4.04Å; T170-Q238 PolarHBondContact OG1-NE2 2.79Å; S221-Q238 WeakPolarHBondContact CA-O 3.14Å; H222-Q238 HydrophobicContact CB-CB 4.25Å; H222-Q238 PolarHBondContact N-O 3.34Å; H222-Q238 PolarHBondContact O-N 2.82Å; Q238-L240 PolarHBondContact O-N 2.9Å |
| 239 | P | 97.9 | Very high | 97 | Very high | 25 Ų | 25 | 25 Ų | 25 | 16% | 0.162 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 126.4 | 178.4 | 27.1 | -32.1 | 0 | 0 | 0 | 110.6 | Y171 T241 L247 | Y171-P239 HydrophobicContact CD2-CG 4.06Å; Y171-P239 HydrophobicContact CE2-CG 3.79Å; P239-T241 WeakPolarHBondContact CB-O 3.46Å; P239-L247 HydrophobicContact CB-CD2 4.05Å; P239-L247 HydrophobicContact CG-CD1 4.43Å; P239-L247 HydrophobicContact CG-CD2 4.35Å |
| 240 | L | 97.5 | Very high | 97.1 | Very high | 8 Ų | 8 | 24.1 Ų | 24.1 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -93.5 | -14.1 | 172.5 | -69 | 178.7 | 0 | 0 | 0 | 112.5 | Q162 Q165 P167 L220 H222 Q238 | Q162-L240 VanDerWaalsContact CG-O 3.25Å; Q162-L240 WeakPolarHBondContact CG-O 3.35Å; Q165-L240 HydrophobicContact CB-CD1 4.28Å; Q165-L240 VanDerWaalsContact O-CD2 3.27Å; Q165-L240 WeakPolarHBondContact O-CD2 3.39Å; P167-L240 HydrophobicContact CB-CD2 3.85Å; P167-L240 HydrophobicContact CG-CD2 4.29Å; L220-L240 HydrophobicContact CB-CB 4.34Å; L220-L240 HydrophobicContact CD2-CB 4.28Å; L220-L240 HydrophobicContact CD2-CD1 3.54Å; L220-L240 HydrophobicContact CG-CB 4.26Å; L220-L240 HydrophobicContact CG-CD1 3.95Å; L220-L240 PolarHBondContact O-N 3.46Å; H222-L240 WeakPolarHBondContact NE2-CD1 3.38Å; Q238-L240 PolarHBondContact O-N 2.9Å |
| 241 | T | 96 | Very high | 97.3 | Very high | 35 Ų | 35 | 21.7 Ų | 21.7 | 22% | 0.215 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -120.9 | 162.8 | 172.1 | 56.1 | 0 | 0 | 0 | 0 | 109.7 | T219 L220 P239 Q246 | T219-T241 WeakPolarHBondContact CA-OG1 3.33Å; T219-T241 WeakPolarHBondContact CB-OG1 3.48Å; L220-T241 HydrophobicContact CB-CG2 4.39Å; L220-T241 PolarHBondContact N-OG1 2.95Å; L220-T241 PolarHBondContact O-N 3.03Å; L220-T241 PolarHBondContact O-OG1 3.4Å; P239-T241 WeakPolarHBondContact CB-O 3.46Å; T241-Q246 PolarHBondContact O-OE1 3.33Å; T241-Q246 VanDerWaalsContact OG1-CD 3.23Å; T241-Q246 PolarHBondContact OG1-NE2 3.19Å; T241-Q246 PolarHBondContact OG1-OE1 3.33Å |
| 242 | V | 92.6 | Very high | 97.4 | Very high | 90 Ų | 90 | 19.6 Ų | 19.6 | 55% | 0.545 | 11% | 0.113 | S | C | . | . | trans | -118.2 | 117.4 | 174.5 | 175.3 | 0 | 0 | 0 | 0 | 107.7 | Q162 | Q162-V242 VanDerWaalsContact NE2-CG2 3.32Š| ||
| 243 | F | 95.1 | Very high | 97.4 | Very high | 41 Ų | 41 | 21.8 Ų | 21.8 | 18% | 0.18 | 13% | 0.125 | C | C | . | . | trans | -145.7 | 151.5 | 173.5 | -161.1 | -91.9 | 0 | 0 | 0 | 109 | L190 T201 K217 T219 S245 Q246 | L190-F243 HydrophobicContact CB-CD1 3.73Å; L190-F243 HydrophobicContact CB-CE1 3.69Å; L190-F243 HydrophobicContact CB-CG 4.31Å; L190-F243 HydrophobicContact CB-CZ 4.19Å; L190-F243 HydrophobicContact CD1-CD1 3.91Å; L190-F243 HydrophobicContact CD1-CG 4.43Å; L190-F243 HydrophobicContact CG-CD1 4.47Å; T201-F243 HydrophobicContact CG2-CD1 3.83Å; T201-F243 HydrophobicContact CG2-CE1 3.65Å; K217-F243 HydrophobicContact CB-CD2 3.81Å; K217-F243 HydrophobicContact CB-CE2 3.91Å; K217-F243 HydrophobicContact CG-CD2 3.91Å; K217-F243 HydrophobicContact CG-CE2 3.76Å; T219-F243 HydrophobicContact CG2-CB 3.68Å; T219-F243 HydrophobicContact CG2-CD2 4.48Å; T219-F243 HydrophobicContact CG2-CG 4.09Å; F243-S245 PolarHBondContact O-N 3.5Å; F243-Q246 HydrophobicContact CB-CB 4.17Å; F243-Q246 WeakPolarHBondContact O-CB 3.47Å; F243-Q246 PolarHBondContact O-N 2.97Å | ||
| 244 | S | 93.4 | Very high | 97.4 | Very high | 67 Ų | 67 | 24.6 Ų | 24.6 | 47% | 0.469 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 136.2 | 179.4 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | T201 Q246 | T201-S244 PolarHBondContact OG1-O 2.86Å; S244-Q246 PolarHBondContact O-N 2.76Å |
| 245 | S | 95.9 | Very high | 97.3 | Very high | 31 Ų | 31 | 27 Ų | 27 | 22% | 0.217 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 21 | 177.4 | -48.4 | 0 | 0 | 0 | 0 | 115.6 | F243 L247 Q248 V249 Y264 | F243-S245 PolarHBondContact O-N 3.5Å; S245-L247 VanDerWaalsContact C-N 3.31Å; S245-L247 PolarHBondContact O-N 2.82Å; S245-Q248 PolarHBondContact O-N 2.87Å; S245-V249 PolarHBondContact O-N 3Å; S245-V249 VanDerWaalsContact O-N 3.09Å; S245-Y264 WeakPolarHBondContact CB-OH 3.44Å; S245-Y264 WeakPolarHBondContact OG-CE2 3.34Å; S245-Y264 PolarHBondContact OG-OH 3.04Å |
| 246 | Q | 97.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 27.3 Ų | 27.3 | 3% | 0.033 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -53.8 | -48.2 | -172.6 | 178.6 | 179.2 | -49.2 | 0 | 0 | 111.8 | L190 T219 L220 S221 T241 F243 S244 V249 H250 | L190-Q246 HydrophobicContact CD1-CB 4.32Å; L190-Q246 HydrophobicContact CD1-CG 4.15Å; T219-Q246 HydrophobicContact CG2-CG 4.41Å; L220-Q246 PolarHBondContact O-NE2 3.22Å; L220-Q246 VanDerWaalsContact O-NE2 3.17Å; S221-Q246 PolarHBondContact OG-NE2 3.05Å; T241-Q246 PolarHBondContact O-OE1 3.33Å; T241-Q246 VanDerWaalsContact OG1-CD 3.23Å; T241-Q246 PolarHBondContact OG1-NE2 3.19Å; T241-Q246 PolarHBondContact OG1-OE1 3.33Å; F243-Q246 HydrophobicContact CB-CB 4.17Å; F243-Q246 WeakPolarHBondContact O-CB 3.47Å; F243-Q246 PolarHBondContact O-N 2.97Å; S244-Q246 PolarHBondContact O-N 2.76Å; Q246-V249 PolarHBondContact O-N 3.16Å; Q246-H250 VanDerWaalsContact O-CB 3.28Å; Q246-H250 WeakPolarHBondContact O-CB 3.48Å; Q246-H250 PolarHBondContact O-CD2 2.94Å; Q246-H250 VanDerWaalsContact O-CD2 3.22Å; Q246-H250 PolarHBondContact O-N 3.3Å |
| 247 | L | 98.3 | Very high | 97.3 | Very high | 12 Ų | 12 | 25.6 Ų | 25.6 | 6% | 0.063 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67 | -39.1 | -175.4 | -63.7 | -175.6 | 0 | 0 | 0 | 112.5 | Y171 S221 L237 P239 S245 H250 M251 L312 | Y171-L247 HydrophobicContact CD1-CD1 3.86Å; Y171-L247 HydrophobicContact CD2-CD1 3.57Å; Y171-L247 HydrophobicContact CE1-CD1 4.25Å; Y171-L247 HydrophobicContact CE2-CD1 4Å; Y171-L247 HydrophobicContact CG-CD1 3.51Å; S221-L247 WeakPolarHBondContact OG-CD2 3.48Å; L237-L247 HydrophobicContact CB-CD1 4.25Å; L237-L247 HydrophobicContact CB-CD2 4.05Å; L237-L247 HydrophobicContact CD1-CB 4.2Å; L237-L247 HydrophobicContact CD1-CD1 4.42Å; L237-L247 HydrophobicContact CD1-CD2 4.4Å; P239-L247 HydrophobicContact CB-CD2 4.05Å; P239-L247 HydrophobicContact CG-CD1 4.43Å; P239-L247 HydrophobicContact CG-CD2 4.35Å; S245-L247 VanDerWaalsContact C-N 3.31Å; S245-L247 PolarHBondContact O-N 2.82Å; L247-H250 PolarHBondContact O-N 2.78Å; L247-M251 WeakPolarHBondContact O-CB 3.45Å; L247-M251 WeakPolarHBondContact O-CG 3.27Å; L247-M251 PolarHBondContact O-N 2.93Å; L247-L312 HydrophobicContact CB-CD1 4.39Å; L247-L312 HydrophobicContact CB-CD2 4.06Å; L247-L312 HydrophobicContact CD1-CD1 4.02Å; L247-L312 HydrophobicContact CD1-CD2 4.38Å |
| 248 | Q | 98.2 | Very high | 97.3 | Very high | 9 Ų | 9 | 25.6 Ų | 25.6 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.7 | -50.9 | 175.2 | -74.6 | 170 | -95.5 | 0 | 0 | 111 | S245 H250 M251 V252 D261 Y264 L310 L312 | S245-Q248 PolarHBondContact O-N 2.87Å; Q248-H250 PolarHBondContact O-N 3.29Å; Q248-M251 PolarHBondContact O-N 3.29Å; Q248-V252 PolarHBondContact O-N 2.97Å; Q248-D261 VanDerWaalsContact CB-OD2 3.31Å; Q248-D261 WeakPolarHBondContact CB-OD2 3.48Å; Q248-D261 WeakPolarHBondContact CG-OD2 3.25Å; Q248-D261 VanDerWaalsContact NE2-CG 3.28Å; Q248-D261 PolarHBondContact NE2-OD1 3.39Å; Q248-D261 VanDerWaalsContact NE2-OD1 3.15Å; Q248-D261 PolarHBondContact NE2-OD2 3.48Å; Q248-Y264 HydrophobicContact CB-CD2 3.79Å; Q248-Y264 HydrophobicContact CB-CE2 4.31Å; Q248-Y264 HydrophobicContact CG-CD2 4.49Å; Q248-L310 HydrophobicContact CG-CD1 4.39Å; Q248-L310 HydrophobicContact CG-CD2 4.18Å; Q248-L312 HydrophobicContact CG-CD2 4.36Å |
| 249 | V | 98 | Very high | 97.3 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 179.1 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | L190 T201 S245 Q246 M251 V252 L253 Y264 | L190-V249 HydrophobicContact CD2-CG1 3.87Å; T201-V249 HydrophobicContact CG2-CG2 3.9Å; S245-V249 PolarHBondContact O-N 3Å; S245-V249 VanDerWaalsContact O-N 3.09Å; Q246-V249 PolarHBondContact O-N 3.16Å; V249-M251 VanDerWaalsContact C-N 3.31Å; V249-M251 PolarHBondContact O-N 3.34Å; V249-V252 WeakPolarHBondContact O-CB 3.45Å; V249-V252 PolarHBondContact O-N 3.42Å; V249-L253 HydrophobicContact CG1-CD1 4.46Å; V249-L253 WeakPolarHBondContact O-CG 3.24Å; V249-L253 PolarHBondContact O-N 3.12Å; V249-Y264 HydrophobicContact CG2-CD1 3.75Å; V249-Y264 HydrophobicContact CG2-CD2 4.48Å; V249-Y264 HydrophobicContact CG2-CE1 3.77Å; V249-Y264 HydrophobicContact CG2-CG 4.1Å |
| 250 | H | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.1 | -42.1 | 175.2 | -79.6 | -162.2 | 0 | 0 | 0 | 112 | I186 T219 S221 Q246 L247 Q248 L253 Q254 | I186-H250 HydrophobicContact CB-CB 4.18Å; I186-H250 HydrophobicContact CD1-CB 3.99Å; I186-H250 HydrophobicContact CG2-CB 3.69Å; I186-H250 PolarHBondContact O-CE1 3.19Å; T219-H250 PolarHBondContact OG1-NE2 3.26Å; S221-H250 WeakPolarHBondContact CB-ND1 3.38Å; S221-H250 PolarHBondContact OG-CE1 3.42Å; S221-H250 PolarHBondContact OG-ND1 3.26Å; Q246-H250 VanDerWaalsContact O-CB 3.28Å; Q246-H250 WeakPolarHBondContact O-CB 3.48Å; Q246-H250 PolarHBondContact O-CD2 2.94Å; Q246-H250 VanDerWaalsContact O-CD2 3.22Å; Q246-H250 PolarHBondContact O-N 3.3Å; L247-H250 PolarHBondContact O-N 2.78Å; Q248-H250 PolarHBondContact O-N 3.29Å; H250-L253 WeakPolarHBondContact O-CB 3.48Å; H250-L253 PolarHBondContact O-N 3.12Å; H250-Q254 PolarHBondContact O-N 3.47Å |
| 251 | M | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.3 | -35.3 | 177.8 | -74.4 | -45.1 | -42.4 | 0 | 0 | 113.2 | T175 P179 I186 L237 L247 Q248 V249 L253 Q254 L255 C256 V258 | T175-M251 HydrophobicContact CG2-CE 3.63Å; T175-M251 HydrophobicContact CG2-CG 4.41Å; T175-M251 HydrophobicContact CG2-SD 4.43Å; P179-M251 HydrophobicContact CG-CE 3.94Å; I186-M251 HydrophobicContact CD1-SD 4.29Å; L237-M251 HydrophobicContact CD1-CG 3.99Å; L237-M251 HydrophobicContact CD1-SD 4.22Å; L237-M251 HydrophobicContact CD2-CG 4.48Å; L237-M251 HydrophobicContact CD2-SD 3.73Å; L247-M251 WeakPolarHBondContact O-CB 3.45Å; L247-M251 WeakPolarHBondContact O-CG 3.27Å; L247-M251 PolarHBondContact O-N 2.93Å; Q248-M251 PolarHBondContact O-N 3.29Å; V249-M251 VanDerWaalsContact C-N 3.31Å; V249-M251 PolarHBondContact O-N 3.34Å; M251-L253 VanDerWaalsContact C-N 3.33Å; M251-L253 PolarHBondContact O-N 3.18Å; M251-Q254 HydrophobicContact CE-CB 4.17Å; M251-Q254 CarbonylContact O-C 3.53Å; M251-Q254 PolarHBondContact O-N 2.88Å; M251-Q254 VanDerWaalsContact O-N 3.15Å; M251-L255 PolarHBondContact O-N 2.74Å; M251-C256 WeakPolarHBondContact CB-O 3.47Å; M251-C256 HydrophobicContact CE-CB 3.79Å; M251-C256 WeakPolarHBondContact CE-O 3.49Å; M251-C256 CarbonylContact O-C 3.59Å; M251-C256 VanDerWaalsContact O-C 3.32Å; M251-C256 PolarHBondContact O-N 3.39Å; M251-V258 HydrophobicContact CB-CG2 4.02Å; M251-V258 HydrophobicContact CG-CG2 3.98Å |
| 252 | V | 98.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61 | -40.3 | 169.2 | 161.5 | 0 | 0 | 0 | 0 | 111.9 | Q248 V249 Q254 L255 P257 Y264 R267 V268 L277 | Q248-V252 PolarHBondContact O-N 2.97Å; V249-V252 WeakPolarHBondContact O-CB 3.45Å; V249-V252 PolarHBondContact O-N 3.42Å; V252-Q254 PolarHBondContact O-N 2.84Å; V252-L255 WeakPolarHBondContact O-CA 3.17Å; V252-L255 PolarHBondContact O-N 2.92Å; V252-P257 HydrophobicContact CG2-CB 3.93Å; V252-Y264 WeakPolarHBondContact CG2-O 3.44Å; V252-R267 HydrophobicContact CG1-CB 3.76Å; V252-V268 HydrophobicContact CB-CG2 4.37Å; V252-V268 HydrophobicContact CG1-CG2 3.95Å; V252-V268 HydrophobicContact CG2-CG2 4.39Å; V252-L277 HydrophobicContact CG1-CD1 3.59Å |
| 253 | L | 97.6 | Very high | 97.3 | Very high | 48 Ų | 48 | 20.8 Ų | 20.8 | 25% | 0.251 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -65.7 | -23.1 | 175.7 | -68.5 | 174.8 | 0 | 0 | 0 | 112.9 | A188 P203 V249 H250 M251 L277 | A188-L253 HydrophobicContact CB-CD1 3.52Å; P203-L253 HydrophobicContact CB-CD1 4.5Å; P203-L253 HydrophobicContact CB-CD2 4.3Å; P203-L253 HydrophobicContact CG-CD2 4.22Å; V249-L253 HydrophobicContact CG1-CD1 4.46Å; V249-L253 WeakPolarHBondContact O-CG 3.24Å; V249-L253 PolarHBondContact O-N 3.12Å; H250-L253 WeakPolarHBondContact O-CB 3.48Å; H250-L253 PolarHBondContact O-N 3.12Å; M251-L253 VanDerWaalsContact C-N 3.33Å; M251-L253 PolarHBondContact O-N 3.18Å; L253-L277 HydrophobicContact CD2-CD2 3.78Å |
| 254 | Q | 98.1 | Very high | 97.4 | Very high | 58 Ų | 58 | 19.1 Ų | 19.1 | 27% | 0.271 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 9.8 | 169.2 | -61.2 | -58.4 | -57.6 | 0 | 0 | 112.7 | I186 H250 M251 V252 C256 | I186-Q254 HydrophobicContact CD1-CG 3.6Å; I186-Q254 HydrophobicContact CG1-CG 3.97Å; H250-Q254 PolarHBondContact O-N 3.47Å; M251-Q254 HydrophobicContact CE-CB 4.17Å; M251-Q254 CarbonylContact O-C 3.53Å; M251-Q254 PolarHBondContact O-N 2.88Å; M251-Q254 VanDerWaalsContact O-N 3.15Å; V252-Q254 PolarHBondContact O-N 2.84Å; Q254-C256 PolarHBondContact O-N 3.2Å; Q254-C256 VanDerWaalsContact O-N 3.1Å; Q254-C256 PolarHBondContact O-SG 2.85Å |
| 255 | L | 98 | Very high | 97.5 | Very high | 52 Ų | 52 | 16.4 Ų | 16.4 | 27% | 0.272 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 17.5 | -175.3 | -53.1 | 175.9 | 0 | 0 | 0 | 114.1 | M251 V252 P257 V268 R275 F276 L277 | M251-L255 PolarHBondContact O-N 2.74Å; V252-L255 WeakPolarHBondContact O-CA 3.17Å; V252-L255 PolarHBondContact O-N 2.92Å; L255-P257 WeakPolarHBondContact O-CD 3.38Å; L255-V268 HydrophobicContact CB-CG1 4.33Å; L255-V268 HydrophobicContact CD2-CG1 4.41Å; L255-R275 HydrophobicContact CB-CB 4.19Å; L255-R275 HydrophobicContact CD1-CB 4.33Å; L255-R275 WeakPolarHBondContact CD1-O 3.38Å; L255-R275 PolarHBondContact O-NE 3.47Å; L255-R275 PolarHBondContact O-NH2 2.92Å; L255-F276 VanDerWaalsContact CD2-C 3.49Å; L255-L277 HydrophobicContact CD2-CB 3.93Å |
| 256 | C | 98.2 | Very high | 97.5 | Very high | 6 Ų | 6 | 15.3 Ų | 15.3 | 4% | 0.041 | 8% | 0.082 | C | C | . | . | trans | -126 | 66.6 | -173.4 | -64.1 | 0 | 0 | 0 | 0 | 109.9 | T175 N176 I178 P179 M251 Q254 | T175-C256 WeakPolarHBondContact CB-O 3.38Å; T175-C256 WeakPolarHBondContact CG2-O 3.4Å; N176-C256 WeakPolarHBondContact O-CA 3.32Å; I178-C256 PolarHBondContact O-SG 3Å; P179-C256 HydrophobicContact CG-CB 4.26Å; P179-C256 VanDerWaalsContact N-SG 3.39Å; M251-C256 WeakPolarHBondContact CB-O 3.47Å; M251-C256 HydrophobicContact CE-CB 3.79Å; M251-C256 WeakPolarHBondContact CE-O 3.49Å; M251-C256 CarbonylContact O-C 3.59Å; M251-C256 VanDerWaalsContact O-C 3.32Å; M251-C256 PolarHBondContact O-N 3.39Å; Q254-C256 PolarHBondContact O-N 3.2Å; Q254-C256 VanDerWaalsContact O-N 3.1Å; Q254-C256 PolarHBondContact O-SG 2.85Å | ||
| 257 | P | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.013 | 8% | 0.082 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 148.7 | -175.6 | 26.7 | -34.6 | 0 | 0 | 0 | 111.5 | T175 N176 V252 L255 V268 | T175-P257 WeakPolarHBondContact CA-O 3.41Å; N176-P257 HydrophobicContact CB-CG 4.5Å; N176-P257 PolarHBondContact N-O 2.89Å; N176-P257 WeakPolarHBondContact O-CD 3.47Å; V252-P257 HydrophobicContact CG2-CB 3.93Å; L255-P257 WeakPolarHBondContact O-CD 3.38Å; P257-V268 HydrophobicContact CG-CB 4.39Å; P257-V268 HydrophobicContact CG-CG2 4.3Å |
| 258 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | B | Isolated β-bridge | trans | -63.3 | 141.4 | 176 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | A173 V174 M251 D261 Q288 L310 H311 L312 | A173-V258 HydrophobicContact CB-CG1 4.45Å; A173-V258 HydrophobicContact CB-CG2 4.33Å; V174-V258 CarbonylContact O-C 3.47Å; V174-V258 WeakPolarHBondContact O-CA 3.36Å; M251-V258 HydrophobicContact CB-CG2 4.02Å; M251-V258 HydrophobicContact CG-CG2 3.98Å; V258-D261 HydrophobicContact CB-CB 4.33Å; V258-D261 WeakPolarHBondContact O-CB 3.39Å; V258-D261 PolarHBondContact O-N 3.11Å; V258-D261 VanDerWaalsContact O-N 3.15Å; V258-Q288 PolarHBondContact O-NE2 3.38Å; V258-L310 HydrophobicContact CB-CD1 3.96Å; V258-L310 HydrophobicContact CG1-CD1 3.64Å; V258-L310 HydrophobicContact CG1-CG 4.22Å; V258-H311 HydrophobicContact CG1-CB 4.38Å; V258-H311 VanDerWaalsContact CG1-O 3.23Å; V258-H311 WeakPolarHBondContact CG1-O 3.33Å; V258-L312 HydrophobicContact CG1-CB 4.28Å |
| 259 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 133 | 176.7 | -169.6 | 72 | 0 | 0 | 0 | 110 | V174 D261 L290 L294 L298 L308 H311 T342 | V174-L259 HydrophobicContact CB-CB 4.27Å; V174-L259 HydrophobicContact CG1-CB 4.22Å; V174-L259 HydrophobicContact CG1-CD2 4.07Å; V174-L259 WeakPolarHBondContact O-CB 3.4Å; V174-L259 PolarHBondContact O-N 3.02Å; L259-D261 VanDerWaalsContact C-N 3.32Å; L259-L290 HydrophobicContact CD1-CD1 3.89Å; L259-L290 HydrophobicContact CD1-CD2 3.73Å; L259-L290 HydrophobicContact CD1-CG 4.5Å; L259-L294 HydrophobicContact CD1-CD2 4.4Å; L259-L298 HydrophobicContact CD2-CD1 4.3Å; L259-L308 HydrophobicContact CD1-CD2 3.84Å; L259-L308 HydrophobicContact CD2-CD2 3.85Å; L259-L308 HydrophobicContact CG-CD2 3.49Å; L259-L308 VanDerWaalsContact CG-CD2 3.49Å; L259-H311 HydrophobicContact CB-CB 4.15Å; L259-H311 WeakPolarHBondContact O-CB 3.29Å; L259-H311 PolarHBondContact O-N 3.32Å; L259-H311 PolarHBondContact O-ND1 3.02Å; L259-T342 HydrophobicContact CD2-CG2 3.57Å |
| 260 | G | 97.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 5% | 0.052 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 7.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | H262 L308 P309 | G260-H262 PolarHBondContact O-N 3.29Å; G260-L308 WeakPolarHBondContact CA-O 3.34Å; G260-P309 WeakPolarHBondContact CA-O 3.31Å |
| 261 | D | 97.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | trans | -77.6 | 87.9 | 175.9 | -169.4 | -17.4 | 0 | 0 | 0 | 111.1 | Q248 V258 L259 T263 Y264 S265 L310 | Q248-D261 VanDerWaalsContact CB-OD2 3.31Å; Q248-D261 WeakPolarHBondContact CB-OD2 3.48Å; Q248-D261 WeakPolarHBondContact CG-OD2 3.25Å; Q248-D261 VanDerWaalsContact NE2-CG 3.28Å; Q248-D261 PolarHBondContact NE2-OD1 3.39Å; Q248-D261 VanDerWaalsContact NE2-OD1 3.15Å; Q248-D261 PolarHBondContact NE2-OD2 3.48Å; V258-D261 HydrophobicContact CB-CB 4.33Å; V258-D261 WeakPolarHBondContact O-CB 3.39Å; V258-D261 PolarHBondContact O-N 3.11Å; V258-D261 VanDerWaalsContact O-N 3.15Å; L259-D261 VanDerWaalsContact C-N 3.32Å; D261-T263 PolarHBondContact O-N 2.93Å; D261-T263 PolarHBondContact OD1-N 3.04Å; D261-Y264 PolarHBondContact OD1-N 2.76Å; D261-S265 WeakPolarHBondContact O-CB 3.48Å; D261-S265 PolarHBondContact O-N 3.38Å; D261-S265 PolarHBondContact O-OG 3.19Å; D261-L310 HydrophobicContact CB-CD1 3.77Å | ||
| 262 | H | 95.8 | Very high | 96.2 | Very high | 47 Ų | 47 | 31.8 Ų | 31.8 | 22% | 0.218 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 5.8 | 177.9 | -56.1 | -27.1 | 0 | 0 | 0 | 113.7 | G260 Q286 Q288 A305 A306 L308 | G260-H262 PolarHBondContact O-N 3.29Å; H262-Q286 CarbonylContact C-O 3.55Å; H262-Q286 CarbonylContact O-C 3.57Å; H262-Q288 PolarHBondContact ND1-N 3.17Å; H262-Q288 VanDerWaalsContact ND1-N 3.19Å; H262-A305 PolarHBondContact CE1-O 3.46Å; H262-A306 PolarHBondContact NE2-O 2.93Å; H262-L308 PolarHBondContact NE2-N 3.42Å; H262-L308 PolarHBondContact NE2-O 3.2Å |
| 263 | T | 94.6 | Very high | 95.6 | Very high | 47 Ų | 47 | 34.6 Ų | 34.6 | 29% | 0.288 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -48.5 | -177.9 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | L200 D261 P285 | L200-T263 HydrophobicContact CD2-CG2 3.59Å; D261-T263 PolarHBondContact O-N 2.93Å; D261-T263 PolarHBondContact OD1-N 3.04Å; T263-P285 HydrophobicContact CG2-CG 4.45Å |
| 264 | Y | 96.1 | Very high | 95.4 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -17.1 | -170.6 | -56.6 | -78.6 | 0 | 0 | 0 | 113.9 | L200 T201 S245 Q248 V249 V252 D261 A266 R267 | L200-Y264 HydrophobicContact CD2-CE1 4.48Å; T201-Y264 PolarHBondContact N-OH 3.36Å; T201-Y264 VanDerWaalsContact N-OH 3.1Å; T201-Y264 VanDerWaalsContact O-CE1 3.29Å; T201-Y264 WeakPolarHBondContact O-CE1 3.44Å; S245-Y264 WeakPolarHBondContact CB-OH 3.44Å; S245-Y264 WeakPolarHBondContact OG-CE2 3.34Å; S245-Y264 PolarHBondContact OG-OH 3.04Å; Q248-Y264 HydrophobicContact CB-CD2 3.79Å; Q248-Y264 HydrophobicContact CB-CE2 4.31Å; Q248-Y264 HydrophobicContact CG-CD2 4.49Å; V249-Y264 HydrophobicContact CG2-CD1 3.75Å; V249-Y264 HydrophobicContact CG2-CD2 4.48Å; V249-Y264 HydrophobicContact CG2-CE1 3.77Å; V249-Y264 HydrophobicContact CG2-CG 4.1Å; V252-Y264 WeakPolarHBondContact CG2-O 3.44Å; D261-Y264 PolarHBondContact OD1-N 2.76Å; Y264-A266 PolarHBondContact O-N 3.09Å; Y264-A266 VanDerWaalsContact O-N 3.15Å; Y264-R267 WeakPolarHBondContact O-CB 3.41Å; Y264-R267 PolarHBondContact O-N 2.87Å |
| 265 | S | 96.6 | Very high | 95.2 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -59.8 | -29.4 | -177.6 | 64.9 | 0 | 0 | 0 | 0 | 113.7 | D261 R267 V268 Q288 | D261-S265 WeakPolarHBondContact O-CB 3.48Å; D261-S265 PolarHBondContact O-N 3.38Å; D261-S265 PolarHBondContact O-OG 3.19Å; S265-R267 PolarHBondContact O-N 3.12Å; S265-V268 PolarHBondContact O-N 3.44Å; S265-Q288 WeakPolarHBondContact OG-CB 3.42Å; S265-Q288 WeakPolarHBondContact OG-CG 3.48Å |
| 266 | A | 95 | Very high | 95.1 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 7% | 0.066 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -51 | -26.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y264 V268 L278 T283 K284 Q286 | Y264-A266 PolarHBondContact O-N 3.09Å; Y264-A266 VanDerWaalsContact O-N 3.15Å; A266-V268 PolarHBondContact O-N 2.87Å; A266-L278 WeakPolarHBondContact O-CD1 3.28Å; A266-T283 HydrophobicContact CB-CG2 3.64Å; A266-T283 WeakPolarHBondContact O-CG2 3.46Å; A266-K284 WeakPolarHBondContact CB-O 3.11Å; A266-Q286 HydrophobicContact CB-CG 3.32Å |
| 267 | R | 95.8 | Very high | 95 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.019 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -77.1 | -2.1 | -179.6 | -62.6 | 178 | -177.2 | 172.4 | 2.4 | 113.2 | T201 V252 Y264 S265 L277 L278 T283 | T201-R267 PolarHBondContact O-NH1 3.31Å; T201-R267 PolarHBondContact O-NH2 3.25Å; V252-R267 HydrophobicContact CG1-CB 3.76Å; Y264-R267 WeakPolarHBondContact O-CB 3.41Å; Y264-R267 PolarHBondContact O-N 2.87Å; S265-R267 PolarHBondContact O-N 3.12Å; R267-L277 HydrophobicContact CB-CD1 4.37Å; R267-L277 CarbonylContact O-C 3.49Å; R267-L277 WeakPolarHBondContact O-CA 3.48Å; R267-L277 WeakPolarHBondContact O-CD1 3.19Å; R267-L278 PolarHBondContact O-N 3.27Å; R267-T283 HydrophobicContact CB-CG2 4.45Å; R267-T283 HydrophobicContact CG-CG2 3.77Å |
| 268 | V | 96.8 | Very high | 94.8 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 106.9 | 174.4 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | V252 L255 P257 S265 A266 R275 F276 | V252-V268 HydrophobicContact CB-CG2 4.37Å; V252-V268 HydrophobicContact CG1-CG2 3.95Å; V252-V268 HydrophobicContact CG2-CG2 4.39Å; L255-V268 HydrophobicContact CB-CG1 4.33Å; L255-V268 HydrophobicContact CD2-CG1 4.41Å; P257-V268 HydrophobicContact CG-CB 4.39Å; P257-V268 HydrophobicContact CG-CG2 4.3Å; S265-V268 PolarHBondContact O-N 3.44Å; A266-V268 PolarHBondContact O-N 2.87Å; V268-R275 HydrophobicContact CG1-CB 4.26Å; V268-F276 WeakPolarHBondContact CA-O 3.31Å |
| 269 | G | 93.6 | Very high | 94.4 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 13% | 0.134 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 161.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R275 F276 | G269-R275 VanDerWaalsContact O-CA 3.29Å; G269-R275 WeakPolarHBondContact O-CA 3.05Å; G269-F276 PolarHBondContact N-O 3.18Å; G269-F276 PolarHBondContact O-N 3.25Å |
| 270 | T | 92.6 | Very high | 93.9 | Very high | 80 Ų | 80 | 51.1 Ų | 51.1 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127.8 | 172.2 | -56.9 | 0 | 0 | 0 | 0 | 109.8 | Q274 | T270-Q274 CarbonylContact C-O 3.57Å; T270-Q274 VanDerWaalsContact CA-O 3.31Å; T270-Q274 WeakPolarHBondContact CA-O 3.38Å |
| 271 | V | 92.1 | Very high | 93.2 | Very high | 86 Ų | 86 | 56.8 Ų | 56.8 | 52% | 0.521 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 124.1 | 174.7 | 166.2 | 0 | 0 | 0 | 0 | 107.3 | G273 Q274 F276 | V271-G273 PolarHBondContact O-N 3.02Å; V271-G273 VanDerWaalsContact O-N 3.16Å; V271-Q274 PolarHBondContact N-O 3Å; V271-Q274 WeakPolarHBondContact O-CB 3.43Å; V271-Q274 PolarHBondContact O-N 3.22Å; V271-F276 HydrophobicContact CB-CE1 3.83Å; V271-F276 HydrophobicContact CG2-CE1 3.47Å; V271-F276 VanDerWaalsContact CG2-CE1 3.47Å; V271-F276 HydrophobicContact CG2-CZ 3.78Å |
| 272 | L | 90.2 | Very high | 92.5 | Very high | 172 Ų | 172 | 61 Ų | 61 | 90% | 0.901 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 38.4 | -178 | -55.5 | 176.5 | 0 | 0 | 0 | 113.3 | Q274 | L272-Q274 PolarHBondContact O-N 3.15Š|
| 273 | G | 86.6 | Confident | 92.1 | Very high | 62 Ų | 62 | 59.4 Ų | 59.4 | 64% | 0.639 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | -5.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V271 | V271-G273 PolarHBondContact O-N 3.02Å; V271-G273 VanDerWaalsContact O-N 3.16Å |
| 274 | Q | 92.4 | Very high | 91.7 | Very high | 143 Ų | 143 | 63.3 Ų | 63.3 | 67% | 0.668 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 128.4 | 176.4 | -62.7 | -60.2 | -36.1 | 0 | 0 | 110.8 | T270 V271 L272 | T270-Q274 CarbonylContact C-O 3.57Å; T270-Q274 VanDerWaalsContact CA-O 3.31Å; T270-Q274 WeakPolarHBondContact CA-O 3.38Å; V271-Q274 PolarHBondContact N-O 3Å; V271-Q274 WeakPolarHBondContact O-CB 3.43Å; V271-Q274 PolarHBondContact O-N 3.22Å; L272-Q274 PolarHBondContact O-N 3.15Å |
| 275 | R | 94.9 | Very high | 91.4 | Very high | 73 Ų | 73 | 65.7 Ų | 65.7 | 28% | 0.275 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 142.6 | 179.3 | -58.6 | 176.8 | 78.7 | 98.3 | -4.1 | 110.1 | N176 L255 V268 G269 | N176-R275 PolarHBondContact O-NH2 2.93Å; N176-R275 PolarHBondContact OD1-NH1 3.14Å; L255-R275 HydrophobicContact CB-CB 4.19Å; L255-R275 HydrophobicContact CD1-CB 4.33Å; L255-R275 WeakPolarHBondContact CD1-O 3.38Å; L255-R275 PolarHBondContact O-NE 3.47Å; L255-R275 PolarHBondContact O-NH2 2.92Å; V268-R275 HydrophobicContact CG1-CB 4.26Å; G269-R275 VanDerWaalsContact O-CA 3.29Å; G269-R275 WeakPolarHBondContact O-CA 3.05Å |
| 276 | F | 95.9 | Very high | 91.2 | Very high | 82 Ų | 82 | 70.4 Ų | 70.4 | 36% | 0.36 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 159.9 | 176.9 | 61.7 | -80.2 | 0 | 0 | 0 | 111.3 | L255 V268 G269 V271 L278 | L255-F276 VanDerWaalsContact CD2-C 3.49Å; V268-F276 WeakPolarHBondContact CA-O 3.31Å; G269-F276 PolarHBondContact N-O 3.18Å; G269-F276 PolarHBondContact O-N 3.25Å; V271-F276 HydrophobicContact CB-CE1 3.83Å; V271-F276 HydrophobicContact CG2-CE1 3.47Å; V271-F276 VanDerWaalsContact CG2-CE1 3.47Å; V271-F276 HydrophobicContact CG2-CZ 3.78Å; F276-L278 HydrophobicContact CD2-CD2 4.21Å; F276-L278 HydrophobicContact CE2-CD2 3.48Å; F276-L278 VanDerWaalsContact CE2-CD2 3.48Å; F276-L278 HydrophobicContact CE2-CG 4.16Å; F276-L278 HydrophobicContact CZ-CD2 4.28Å |
| 277 | L | 96.2 | Very high | 91.1 | Very high | 76 Ų | 76 | 77.4 Ų | 77.4 | 40% | 0.398 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 125.2 | -178.2 | -171.5 | 72.5 | 0 | 0 | 0 | 110 | V252 L253 L255 R267 | V252-L277 HydrophobicContact CG1-CD1 3.59Å; L253-L277 HydrophobicContact CD2-CD2 3.78Å; L255-L277 HydrophobicContact CD2-CB 3.93Å; R267-L277 HydrophobicContact CB-CD1 4.37Å; R267-L277 CarbonylContact O-C 3.49Å; R267-L277 WeakPolarHBondContact O-CA 3.48Å; R267-L277 WeakPolarHBondContact O-CD1 3.19Å |
| 278 | L | 94.4 | Very high | 91.1 | Very high | 60 Ų | 60 | 77.5 Ų | 77.5 | 31% | 0.314 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 147.6 | 171.1 | -65.4 | 169.8 | 0 | 0 | 0 | 110.5 | A266 R267 F276 T283 | A266-L278 WeakPolarHBondContact O-CD1 3.28Å; R267-L278 PolarHBondContact O-N 3.27Å; F276-L278 HydrophobicContact CD2-CD2 4.21Å; F276-L278 HydrophobicContact CE2-CD2 3.48Å; F276-L278 VanDerWaalsContact CE2-CD2 3.48Å; F276-L278 HydrophobicContact CE2-CG 4.16Å; F276-L278 HydrophobicContact CZ-CD2 4.28Å; L278-T283 WeakPolarHBondContact CB-OG1 3.29Å |
| 279 | P | 90.2 | Very high | 90.9 | Very high | 72 Ų | 72 | 82.3 Ų | 82.3 | 47% | 0.468 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 138.7 | 178.2 | -19.9 | 31.4 | 0 | 0 | 0 | 111.7 | E281 S282 T283 | P279-E281 WeakPolarHBondContact CB-OE2 3.49Å; P279-E281 PolarHBondContact O-N 3.26Å; P279-S282 PolarHBondContact O-N 2.81Å; P279-S282 PolarHBondContact O-OG 3.02Å; P279-T283 VanDerWaalsContact O-CB 3.3Å; P279-T283 WeakPolarHBondContact O-CB 3.38Å; P279-T283 PolarHBondContact O-N 3.15Å; P279-T283 PolarHBondContact O-OG1 3.48Å |
| 280 | A | 87.3 | Confident | 91 | Very high | 7 Ų | 7 | 82.3 Ų | 82.3 | 6% | 0.058 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -27.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V202 | V202-A280 HydrophobicContact CB-CB 3.99Å; V202-A280 HydrophobicContact CG1-CB 3.91Å |
| 281 | E | 81.8 | Confident | 91 | Very high | 123 Ų | 123 | 82.6 Ų | 82.6 | 58% | 0.575 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -31.3 | -176.4 | -53.8 | 76.4 | -167.7 | 0 | 0 | 111.9 | P279 | P279-E281 WeakPolarHBondContact CB-OE2 3.49Å; P279-E281 PolarHBondContact O-N 3.26Å |
| 282 | S | 82.9 | Confident | 91.2 | Very high | 89 Ų | 89 | 84 Ų | 84 | 62% | 0.622 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -4.5 | 180 | 60.8 | 0 | 0 | 0 | 0 | 113.7 | P279 | P279-S282 PolarHBondContact O-N 2.81Å; P279-S282 PolarHBondContact O-OG 3.02Å |
| 283 | T | 87.4 | Confident | 91.4 | Very high | 15 Ų | 15 | 79.2 Ų | 79.2 | 9% | 0.092 | 42% | 0.424 | C | S | . | . | trans | -106.7 | 108.5 | -176.3 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | A266 R267 L278 P279 | A266-T283 HydrophobicContact CB-CG2 3.64Å; A266-T283 WeakPolarHBondContact O-CG2 3.46Å; R267-T283 HydrophobicContact CB-CG2 4.45Å; R267-T283 HydrophobicContact CG-CG2 3.77Å; L278-T283 WeakPolarHBondContact CB-OG1 3.29Å; P279-T283 VanDerWaalsContact O-CB 3.3Å; P279-T283 WeakPolarHBondContact O-CB 3.38Å; P279-T283 PolarHBondContact O-N 3.15Å; P279-T283 PolarHBondContact O-OG1 3.48Å | ||
| 284 | K | 87.2 | Confident | 91.9 | Very high | 129 Ų | 129 | 76.6 Ų | 76.6 | 56% | 0.561 | 40% | 0.395 | S | S | * | . | trans | -78.2 | 150 | 176.4 | -56.4 | -169.2 | -176.2 | -151.8 | 0 | 111.7 | D196 A266 Q286 | D196-K284 VanDerWaalsContact OD2-CD 3.3Å; D196-K284 WeakPolarHBondContact OD2-CD 3.32Å; D196-K284 WeakPolarHBondContact OD2-CE 3.43Å; D196-K284 IonicContact OD2-NZ 3.66Å; D196-K284 PolarHBondContact OD2-NZ 3.36Å; A266-K284 WeakPolarHBondContact CB-O 3.11Å; K284-Q286 PolarHBondContact O-N 2.57Å | ||
| 285 | P | 90.3 | Very high | 92.1 | Very high | 55 Ų | 55 | 70.2 Ų | 70.2 | 36% | 0.357 | 37% | 0.365 | S | S | . | . | trans | -54.4 | 130.3 | 167.6 | -26.6 | 36.4 | 0 | 0 | 0 | 111.2 | L200 T263 | L200-P285 HydrophobicContact CD1-CG 3.58Å; L200-P285 HydrophobicContact CD2-CG 3.82Å; L200-P285 HydrophobicContact CG-CG 4.32Å; T263-P285 HydrophobicContact CG2-CG 4.45Å | ||
| 286 | Q | 90.9 | Very high | 92.2 | Very high | 109 Ų | 109 | 75.6 Ų | 75.6 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | trans | -145.9 | 154.8 | 174.8 | 52.3 | 173.8 | -7.3 | 0 | 0 | 109.7 | H262 A266 K284 Q288 | H262-Q286 CarbonylContact C-O 3.55Å; H262-Q286 CarbonylContact O-C 3.57Å; A266-Q286 HydrophobicContact CB-CG 3.32Å; K284-Q286 PolarHBondContact O-N 2.57Å; Q286-Q288 PolarHBondContact O-N 2.97Å | ||
| 287 | R | 93.8 | Very high | 92.2 | Very high | 155 Ų | 155 | 77.6 Ų | 77.6 | 59% | 0.585 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 136.2 | 174.5 | -78.1 | 157.2 | 171.3 | -126.7 | 9 | 109.5 | V289 A306 | R287-V289 PolarHBondContact O-N 3.41Å; R287-A306 HydrophobicContact CB-CB 4.08Å; R287-A306 HydrophobicContact CG-CB 3.97Å; R287-A306 VanDerWaalsContact NH1-CB 3.26Å |
| 288 | Q | 95.9 | Very high | 92.2 | Very high | 8 Ų | 8 | 74 Ų | 74 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 124.1 | -178.4 | -175.4 | 176.4 | 46.8 | 0 | 0 | 109 | V258 H262 S265 Q286 L290 | V258-Q288 PolarHBondContact O-NE2 3.38Å; H262-Q288 PolarHBondContact ND1-N 3.17Å; H262-Q288 VanDerWaalsContact ND1-N 3.19Å; S265-Q288 WeakPolarHBondContact OG-CB 3.42Å; S265-Q288 WeakPolarHBondContact OG-CG 3.48Å; Q286-Q288 PolarHBondContact O-N 2.97Å; Q288-L290 HydrophobicContact CG-CD2 3.84Å |
| 289 | V | 92.9 | Very high | 92.2 | Very high | 120 Ų | 120 | 75.6 Ų | 75.6 | 73% | 0.727 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -90.9 | 126 | 173.5 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | R287 | R287-V289 PolarHBondContact O-N 3.41Š|
| 290 | L | 95.1 | Very high | 92.4 | Very high | 12 Ų | 12 | 72.8 Ų | 72.8 | 6% | 0.063 | 36% | 0.359 | C | S | . | . | trans | -105.9 | 147.1 | 174.4 | -54.4 | -176.3 | 0 | 0 | 0 | 108.5 | L259 Q288 L294 L295 L298 A305 L308 | L259-L290 HydrophobicContact CD1-CD1 3.89Å; L259-L290 HydrophobicContact CD1-CD2 3.73Å; L259-L290 HydrophobicContact CD1-CG 4.5Å; Q288-L290 HydrophobicContact CG-CD2 3.84Å; L290-L294 HydrophobicContact CB-CD2 4.22Å; L290-L294 HydrophobicContact CB-CG 4.49Å; L290-L294 HydrophobicContact CD1-CD2 4.25Å; L290-L294 HydrophobicContact CD1-CG 4.41Å; L290-L294 HydrophobicContact CD2-CD2 3.96Å; L290-L294 HydrophobicContact CG-CD2 4.36Å; L290-L295 HydrophobicContact CB-CD2 4.06Å; L290-L295 HydrophobicContact CB-CG 4.12Å; L290-L295 HydrophobicContact CD1-CD2 4.28Å; L290-L298 HydrophobicContact CD1-CD1 3.97Å; L290-A305 HydrophobicContact CD1-CB 4.04Å; L290-A305 HydrophobicContact CG-CB 4.47Å; L290-L308 HydrophobicContact CD1-CD2 4.31Å | ||
| 291 | D | 93.6 | Very high | 92.7 | Very high | 86 Ų | 86 | 75.4 Ų | 75.4 | 46% | 0.46 | 37% | 0.374 | S | S | . | . | trans | -69.6 | 160.2 | 174 | 65.8 | 56.1 | 0 | 0 | 0 | 111.7 | A293 L294 L295 | D291-A293 PolarHBondContact O-N 3.19Å; D291-A293 WeakPolarHBondContact OD1-CB 3.28Å; D291-A293 PolarHBondContact OD1-N 3.4Å; D291-A293 VanDerWaalsContact OD1-N 3.09Å; D291-L294 PolarHBondContact O-N 3.28Å; D291-L294 WeakPolarHBondContact OD1-CB 3.41Å; D291-L294 PolarHBondContact OD1-N 3.37Å; D291-L295 WeakPolarHBondContact O-CG 3.36Å; D291-L295 PolarHBondContact O-N 3.33Å | ||
| 292 | E | 94.9 | Very high | 93.3 | Very high | 116 Ų | 116 | 73.7 Ų | 73.7 | 54% | 0.542 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.4 | -33.4 | -178.1 | -74 | -63.1 | 148.9 | 0 | 0 | 113.1 | R296 | E292-R296 WeakPolarHBondContact O-CB 3.19Å; E292-R296 VanDerWaalsContact O-CG 3.23Å; E292-R296 WeakPolarHBondContact O-CG 3.32Å; E292-R296 PolarHBondContact O-N 2.83Å |
| 293 | A | 95.3 | Very high | 93.7 | Very high | 71 Ų | 71 | 73.1 Ų | 73.1 | 59% | 0.587 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -68.3 | -42.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | D291 R296 R297 | D291-A293 PolarHBondContact O-N 3.19Å; D291-A293 WeakPolarHBondContact OD1-CB 3.28Å; D291-A293 PolarHBondContact OD1-N 3.4Å; D291-A293 VanDerWaalsContact OD1-N 3.09Å; A293-R296 PolarHBondContact O-N 2.82Å; A293-R297 WeakPolarHBondContact O-CB 3.43Å; A293-R297 PolarHBondContact O-N 3.4Å |
| 294 | L | 96.3 | Very high | 94 | Very high | 7 Ų | 7 | 73.5 Ų | 73.5 | 4% | 0.037 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.9 | -40.6 | 177.2 | -175.8 | 55.6 | 0 | 0 | 0 | 111.7 | L259 L290 D291 R297 L298 L346 | L259-L294 HydrophobicContact CD1-CD2 4.4Å; L290-L294 HydrophobicContact CB-CD2 4.22Å; L290-L294 HydrophobicContact CB-CG 4.49Å; L290-L294 HydrophobicContact CD1-CD2 4.25Å; L290-L294 HydrophobicContact CD1-CG 4.41Å; L290-L294 HydrophobicContact CD2-CD2 3.96Å; L290-L294 HydrophobicContact CG-CD2 4.36Å; D291-L294 PolarHBondContact O-N 3.28Å; D291-L294 WeakPolarHBondContact OD1-CB 3.41Å; D291-L294 PolarHBondContact OD1-N 3.37Å; L294-R297 PolarHBondContact O-N 3.17Å; L294-L298 HydrophobicContact CD1-CD1 3.98Å; L294-L298 HydrophobicContact CD1-CG 4.06Å; L294-L298 HydrophobicContact CG-CD1 3.98Å; L294-L298 HydrophobicContact CG-CG 4.46Å; L294-L298 WeakPolarHBondContact O-CB 3.42Å; L294-L298 WeakPolarHBondContact O-CG 3.38Å; L294-L298 PolarHBondContact O-N 3.5Å; L294-L346 HydrophobicContact CD1-CD2 3.55Å |
| 295 | L | 96.7 | Very high | 94.3 | Very high | 9 Ų | 9 | 67.5 Ų | 67.5 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 173.5 | -72.9 | 176 | 0 | 0 | 0 | 111.9 | L290 D291 R297 L298 H299 L300 P302 A305 | L290-L295 HydrophobicContact CB-CD2 4.06Å; L290-L295 HydrophobicContact CB-CG 4.12Å; L290-L295 HydrophobicContact CD1-CD2 4.28Å; D291-L295 WeakPolarHBondContact O-CG 3.36Å; D291-L295 PolarHBondContact O-N 3.33Å; L295-R297 VanDerWaalsContact C-N 3.31Å; L295-R297 PolarHBondContact O-N 3.1Å; L295-L298 PolarHBondContact O-N 3.47Å; L295-H299 PolarHBondContact O-N 2.85Å; L295-L300 HydrophobicContact CD2-CB 4.32Å; L295-L300 PolarHBondContact O-N 3.44Å; L295-L300 VanDerWaalsContact O-N 3.07Å; L295-P302 HydrophobicContact CD1-CG 3.96Å; L295-A305 HydrophobicContact CD2-CB 3.48Å; L295-A305 VanDerWaalsContact CD2-CB 3.48Å |
| 296 | R | 96.6 | Very high | 94.4 | Very high | 187 Ų | 187 | 65.5 Ų | 65.5 | 71% | 0.706 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.4 | -41.7 | 175.8 | -73.2 | 173.9 | -169.7 | -169.6 | 2.5 | 111.8 | E292 A293 H299 | E292-R296 WeakPolarHBondContact O-CB 3.19Å; E292-R296 VanDerWaalsContact O-CG 3.23Å; E292-R296 WeakPolarHBondContact O-CG 3.32Å; E292-R296 PolarHBondContact O-N 2.83Å; A293-R296 PolarHBondContact O-N 2.82Å; R296-H299 PolarHBondContact O-N 3.2Å; R296-H299 PolarHBondContact O-ND1 2.75Å |
| 297 | R | 96.4 | Very high | 94.5 | Very high | 124 Ų | 124 | 66.2 Ų | 66.2 | 47% | 0.468 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 179.1 | -171.1 | 61.1 | 151.6 | 179.4 | 1.4 | 113 | S230 A293 L294 L295 H299 C345 L346 | S230-R297 PolarHBondContact OG-NE 2.97Å; S230-R297 PolarHBondContact OG-NH2 3.15Å; A293-R297 WeakPolarHBondContact O-CB 3.43Å; A293-R297 PolarHBondContact O-N 3.4Å; L294-R297 PolarHBondContact O-N 3.17Å; L295-R297 VanDerWaalsContact C-N 3.31Å; L295-R297 PolarHBondContact O-N 3.1Å; R297-H299 VanDerWaalsContact C-N 3.28Å; R297-C345 VanDerWaalsContact CD-O 3.27Å; R297-C345 WeakPolarHBondContact CD-O 3.33Å; R297-C345 WeakPolarHBondContact CG-O 3.47Å; R297-C345 PolarHBondContact NE-O 3.41Å; R297-C345 VanDerWaalsContact NE-O 3.1Å; R297-C345 WeakPolarHBondContact O-CB 3.25Å; R297-L346 HydrophobicContact CG-CD2 3.92Å |
| 298 | L | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -82 | -8 | 177.8 | -65.8 | 174.9 | 0 | 0 | 0 | 113.2 | L259 L290 L294 L295 L300 R341 T342 C345 L346 | L259-L298 HydrophobicContact CD2-CD1 4.3Å; L290-L298 HydrophobicContact CD1-CD1 3.97Å; L294-L298 HydrophobicContact CD1-CD1 3.98Å; L294-L298 HydrophobicContact CD1-CG 4.06Å; L294-L298 HydrophobicContact CG-CD1 3.98Å; L294-L298 HydrophobicContact CG-CG 4.46Å; L294-L298 WeakPolarHBondContact O-CB 3.42Å; L294-L298 WeakPolarHBondContact O-CG 3.38Å; L294-L298 PolarHBondContact O-N 3.5Å; L295-L298 PolarHBondContact O-N 3.47Å; L298-L300 VanDerWaalsContact C-N 3.32Å; L298-L300 HydrophobicContact CB-CB 4.4Å; L298-L300 HydrophobicContact CB-CD1 3.83Å; L298-L300 HydrophobicContact CB-CG 3.85Å; L298-L300 HydrophobicContact CD1-CD1 4.14Å; L298-R341 PolarHBondContact O-NH1 3.27Å; L298-R341 PolarHBondContact O-NH2 3.23Å; L298-T342 HydrophobicContact CD2-CG2 3.98Å; L298-C345 HydrophobicContact CD2-CB 4.02Å; L298-L346 HydrophobicContact CD2-CD1 4.23Å; L298-L346 HydrophobicContact CD2-CD2 3.84Å; L298-L346 HydrophobicContact CD2-CG 3.88Å; L298-L346 HydrophobicContact CG-CD2 4.38Å |
| 299 | H | 95.3 | Very high | 94.5 | Very high | 93 Ų | 93 | 58.9 Ų | 58.9 | 43% | 0.431 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 50.3 | -171 | -51.8 | -66.1 | 0 | 0 | 0 | 111.4 | S54 L295 R296 R297 | S54-H299 PolarHBondContact O-CD2 3.38Å; L295-H299 PolarHBondContact O-N 2.85Å; R296-H299 PolarHBondContact O-N 3.2Å; R296-H299 PolarHBondContact O-ND1 2.75Å; R297-H299 VanDerWaalsContact C-N 3.28Å |
| 300 | L | 94.8 | Very high | 94.7 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 7% | 0.073 | 28% | 0.275 | C | S | . | . | trans | -123.2 | 143.8 | 179.9 | -63.6 | 177.7 | 0 | 0 | 0 | 110.8 | L57 F62 L295 L298 Q304 L308 | L57-L300 HydrophobicContact CB-CD2 4.39Å; F62-L300 HydrophobicContact CE1-CD1 4.48Å; F62-L300 HydrophobicContact CE1-CD2 4.06Å; F62-L300 HydrophobicContact CZ-CD1 4.24Å; F62-L300 HydrophobicContact CZ-CD2 3.92Å; L295-L300 HydrophobicContact CD2-CB 4.32Å; L295-L300 PolarHBondContact O-N 3.44Å; L295-L300 VanDerWaalsContact O-N 3.07Å; L298-L300 VanDerWaalsContact C-N 3.32Å; L298-L300 HydrophobicContact CB-CB 4.4Å; L298-L300 HydrophobicContact CB-CD1 3.83Å; L298-L300 HydrophobicContact CB-CG 3.85Å; L298-L300 HydrophobicContact CD1-CD1 4.14Å; L300-Q304 HydrophobicContact CB-CB 4.37Å; L300-Q304 HydrophobicContact CD2-CB 4.08Å; L300-L308 HydrophobicContact CD1-CD1 3.88Å | ||
| 301 | T | 94.1 | Very high | 94.9 | Very high | 62 Ų | 62 | 52.7 Ų | 52.7 | 38% | 0.38 | 27% | 0.272 | S | S | . | . | trans | -78.8 | 162.7 | 163.7 | 67.5 | 0 | 0 | 0 | 0 | 110.6 | S303 Q304 A305 | T301-S303 PolarHBondContact O-N 3.03Å; T301-S303 PolarHBondContact OG1-OG 2.89Å; T301-Q304 PolarHBondContact O-N 3.17Å; T301-Q304 VanDerWaalsContact OG1-CG 3.32Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.36Å; T301-Q304 PolarHBondContact OG1-N 2.99Å; T301-Q304 PolarHBondContact OG1-OE1 2.98Å; T301-A305 PolarHBondContact O-N 3.4Å | ||
| 302 | P | 92.9 | Very high | 95.1 | Very high | 87 Ų | 87 | 48.8 Ų | 48.8 | 57% | 0.565 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -55.7 | -36.7 | 172.4 | -26.8 | 34.6 | 0 | 0 | 0 | 113.4 | L295 A305 A306 | L295-P302 HydrophobicContact CD1-CG 3.96Å; P302-A305 PolarHBondContact O-N 3.22Å; P302-A306 WeakPolarHBondContact O-CB 3.5Å; P302-A306 PolarHBondContact O-N 2.85Å; P302-A306 VanDerWaalsContact O-N 3.12Å |
| 303 | S | 92.3 | Very high | 95.3 | Very high | 76 Ų | 76 | 43.3 Ų | 43.3 | 53% | 0.531 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.7 | -37.5 | 178.9 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | T301 | T301-S303 PolarHBondContact O-N 3.03Å; T301-S303 PolarHBondContact OG1-OG 2.89Å |
| 304 | Q | 93.1 | Very high | 95.5 | Very high | 23 Ų | 23 | 39.9 Ų | 39.9 | 11% | 0.107 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.5 | -40.8 | 175 | -69.4 | 170.9 | -33.8 | 0 | 0 | 112.2 | L57 G58 L300 T301 A306 Q307 L308 | L57-Q304 PolarHBondContact O-NE2 2.98Å; G58-Q304 PolarHBondContact O-NE2 3.26Å; L300-Q304 HydrophobicContact CB-CB 4.37Å; L300-Q304 HydrophobicContact CD2-CB 4.08Å; T301-Q304 PolarHBondContact O-N 3.17Å; T301-Q304 VanDerWaalsContact OG1-CG 3.32Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.36Å; T301-Q304 PolarHBondContact OG1-N 2.99Å; T301-Q304 PolarHBondContact OG1-OE1 2.98Å; Q304-A306 PolarHBondContact O-N 3.45Å; Q304-Q307 CarbonylContact O-C 3.59Å; Q304-Q307 WeakPolarHBondContact O-CA 3.29Å; Q304-Q307 PolarHBondContact O-N 2.92Å; Q304-L308 PolarHBondContact O-N 2.74Å |
| 305 | A | 93.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.4 | -31.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H262 L290 L295 T301 P302 Q307 L308 | H262-A305 PolarHBondContact CE1-O 3.46Å; L290-A305 HydrophobicContact CD1-CB 4.04Å; L290-A305 HydrophobicContact CG-CB 4.47Å; L295-A305 HydrophobicContact CD2-CB 3.48Å; L295-A305 VanDerWaalsContact CD2-CB 3.48Å; T301-A305 PolarHBondContact O-N 3.4Å; P302-A305 PolarHBondContact O-N 3.22Å; A305-Q307 PolarHBondContact O-N 3.09Å; A305-L308 WeakPolarHBondContact O-CB 3.45Å; A305-L308 PolarHBondContact O-N 3.22Å |
| 306 | A | 92.4 | Very high | 95.6 | Very high | 14 Ų | 14 | 43.5 Ų | 43.5 | 12% | 0.116 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -3.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115 | H262 R287 P302 Q304 | H262-A306 PolarHBondContact NE2-O 2.93Å; R287-A306 HydrophobicContact CB-CB 4.08Å; R287-A306 HydrophobicContact CG-CB 3.97Å; R287-A306 VanDerWaalsContact NH1-CB 3.26Å; P302-A306 WeakPolarHBondContact O-CB 3.5Å; P302-A306 PolarHBondContact O-N 2.85Å; P302-A306 VanDerWaalsContact O-N 3.12Å; Q304-A306 PolarHBondContact O-N 3.45Å |
| 307 | Q | 92.2 | Very high | 95.7 | Very high | 123 Ų | 123 | 34.7 Ų | 34.7 | 58% | 0.575 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116 | 10.3 | 172.7 | -56.9 | -176.1 | 17.7 | 0 | 0 | 111.8 | F62 Q304 A305 | F62-Q307 HydrophobicContact CE2-CB 4.39Å; Q304-Q307 CarbonylContact O-C 3.59Å; Q304-Q307 WeakPolarHBondContact O-CA 3.29Å; Q304-Q307 PolarHBondContact O-N 2.92Å; A305-Q307 PolarHBondContact O-N 3.09Å |
| 308 | L | 94.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 127.1 | -173.6 | -169.2 | 65.7 | 0 | 0 | 0 | 110.1 | F62 L259 G260 H262 L290 L300 Q304 A305 | F62-L308 HydrophobicContact CD1-CD1 4.27Å; F62-L308 HydrophobicContact CE1-CD1 3.47Å; F62-L308 VanDerWaalsContact CE1-CD1 3.47Å; F62-L308 HydrophobicContact CE2-CD1 4.22Å; F62-L308 HydrophobicContact CZ-CB 4.47Å; F62-L308 HydrophobicContact CZ-CD1 3.44Å; F62-L308 VanDerWaalsContact CZ-CD1 3.44Å; L259-L308 HydrophobicContact CD1-CD2 3.84Å; L259-L308 HydrophobicContact CD2-CD2 3.85Å; L259-L308 HydrophobicContact CG-CD2 3.49Å; L259-L308 VanDerWaalsContact CG-CD2 3.49Å; G260-L308 WeakPolarHBondContact CA-O 3.34Å; H262-L308 PolarHBondContact NE2-N 3.42Å; H262-L308 PolarHBondContact NE2-O 3.2Å; L290-L308 HydrophobicContact CD1-CD2 4.31Å; L300-L308 HydrophobicContact CD1-CD1 3.88Å; Q304-L308 PolarHBondContact O-N 2.74Å; A305-L308 WeakPolarHBondContact O-CB 3.45Å; A305-L308 PolarHBondContact O-N 3.22Å |
| 309 | P | 96.2 | Very high | 95.6 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 4% | 0.039 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 154 | 176.6 | -24 | 35.5 | 0 | 0 | 0 | 111.2 | F62 L65 G260 H311 Y338 | F62-P309 HydrophobicContact CB-CG 3.64Å; F62-P309 HydrophobicContact CD1-CG 4.48Å; F62-P309 HydrophobicContact CD2-CG 4.1Å; F62-P309 HydrophobicContact CG-CG 3.83Å; L65-P309 HydrophobicContact CD1-CG 3.93Å; L65-P309 HydrophobicContact CD2-CB 4.03Å; L65-P309 HydrophobicContact CD2-CG 3.88Å; L65-P309 HydrophobicContact CG-CG 4.09Å; G260-P309 WeakPolarHBondContact CA-O 3.31Å; P309-H311 PolarHBondContact O-CE1 3.02Å; P309-H311 PolarHBondContact O-N 2.97Å; P309-H311 PolarHBondContact O-ND1 3.15Å; P309-Y338 HydrophobicContact CB-CD1 4.21Å; P309-Y338 HydrophobicContact CB-CD2 3.66Å; P309-Y338 HydrophobicContact CB-CE1 4.07Å; P309-Y338 HydrophobicContact CB-CE2 3.52Å; P309-Y338 HydrophobicContact CB-CG 4.02Å; P309-Y338 HydrophobicContact CG-CD1 4.2Å; P309-Y338 HydrophobicContact CG-CD2 3.92Å; P309-Y338 HydrophobicContact CG-CE2 4.28Å; P309-Y338 HydrophobicContact CG-CG 3.89Å |
| 310 | L | 98.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 120.7 | 175.1 | -173.6 | 68.8 | 0 | 0 | 0 | 108 | Q97 E137 Q248 V258 D261 L312 Y338 | Q97-L310 VanDerWaalsContact NE2-N 3.11Å; Q97-L310 PolarHBondContact OE1-O 2.84Å; E137-L310 HydrophobicContact CB-CD2 4.08Å; E137-L310 WeakPolarHBondContact O-CD2 3.43Å; Q248-L310 HydrophobicContact CG-CD1 4.39Å; Q248-L310 HydrophobicContact CG-CD2 4.18Å; V258-L310 HydrophobicContact CB-CD1 3.96Å; V258-L310 HydrophobicContact CG1-CD1 3.64Å; V258-L310 HydrophobicContact CG1-CG 4.22Å; D261-L310 HydrophobicContact CB-CD1 3.77Å; L310-L312 HydrophobicContact CD2-CB 3.75Å; L310-L312 HydrophobicContact CD2-CD2 4.12Å; L310-L312 HydrophobicContact CG-CB 3.77Å; L310-L312 PolarHBondContact O-N 2.95Å; L310-Y338 PolarHBondContact O-OH 2.69Å; L310-Y338 VanDerWaalsContact O-OH 3.05Å |
| 311 | H | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -82.5 | 59.6 | 174.9 | -70 | 63.2 | 0 | 0 | 0 | 109.3 | A173 V174 V258 L259 P309 Y338 F339 T342 | A173-H311 WeakPolarHBondContact CA-O 3.09Å; V174-H311 HydrophobicContact CB-CB 3.76Å; V174-H311 HydrophobicContact CG2-CB 4.09Å; V174-H311 PolarHBondContact N-O 3.12Å; V174-H311 VanDerWaalsContact N-O 3.1Å; V258-H311 HydrophobicContact CG1-CB 4.38Å; V258-H311 VanDerWaalsContact CG1-O 3.23Å; V258-H311 WeakPolarHBondContact CG1-O 3.33Å; L259-H311 HydrophobicContact CB-CB 4.15Å; L259-H311 WeakPolarHBondContact O-CB 3.29Å; L259-H311 PolarHBondContact O-N 3.32Å; L259-H311 PolarHBondContact O-ND1 3.02Å; P309-H311 PolarHBondContact O-CE1 3.02Å; P309-H311 PolarHBondContact O-N 2.97Å; P309-H311 PolarHBondContact O-ND1 3.15Å; H311-Y338 AromaticContact CE1-CD2 3.79Å; H311-Y338 AromaticContact NE2-CD2 3.75Å; H311-F339 HydrophobicContact CB-CD2 4.1Å; H311-F339 HydrophobicContact CB-CE2 3.97Å; H311-T342 WeakPolarHBondContact NE2-CB 3.24Å; H311-T342 PolarHBondContact NE2-OG1 3.24Å | ||
| 312 | L | 98.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 112.1 | 173 | -176.7 | 62.1 | 0 | 0 | 0 | 108.6 | S138 S139 Y171 A173 L237 L247 Q248 V258 L310 | S138-L312 WeakPolarHBondContact CA-O 3.34Å; S138-L312 WeakPolarHBondContact OG-CD2 3.49Å; S139-L312 PolarHBondContact N-O 3.35Å; Y171-L312 HydrophobicContact CD1-CD1 3.98Å; Y171-L312 HydrophobicContact CD1-CG 4.09Å; Y171-L312 HydrophobicContact CG-CD1 4.33Å; A173-L312 HydrophobicContact CB-CD1 3.99Å; L237-L312 HydrophobicContact CD1-CD1 4.21Å; L247-L312 HydrophobicContact CB-CD1 4.39Å; L247-L312 HydrophobicContact CB-CD2 4.06Å; L247-L312 HydrophobicContact CD1-CD1 4.02Å; L247-L312 HydrophobicContact CD1-CD2 4.38Å; Q248-L312 HydrophobicContact CG-CD2 4.36Å; V258-L312 HydrophobicContact CG1-CB 4.28Å; L310-L312 HydrophobicContact CD2-CB 3.75Å; L310-L312 HydrophobicContact CD2-CD2 4.12Å; L310-L312 HydrophobicContact CG-CB 3.77Å; L310-L312 PolarHBondContact O-N 2.95Å |
| 313 | H | 98.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 123.5 | -170.6 | -179.5 | 76.2 | 0 | 0 | 0 | 110.4 | N94 S139 G140 Y171 C172 H315 A333 P334 L335 F339 | N94-H313 PolarHBondContact OD1-CE1 2.8Å; S139-H313 WeakPolarHBondContact O-CA 3.46Å; S139-H313 PolarHBondContact OG-ND1 3.1Å; G140-H313 WeakPolarHBondContact CA-CE1 3.36Å; G140-H313 WeakPolarHBondContact CA-ND1 3.47Å; G140-H313 PolarHBondContact N-ND1 3.4Å; Y171-H313 CarbonylContact C-O 3.53Å; Y171-H313 WeakPolarHBondContact CA-O 3.49Å; C172-H313 PolarHBondContact N-O 3.05Å; C172-H313 PolarHBondContact O-N 2.91Å; H313-H315 VanDerWaalsContact C-N 3.28Å; H313-H315 PolarHBondContact O-N 3.42Å; H313-A333 PolarHBondContact NE2-O 3.03Å; H313-P334 PolarHBondContact CE1-O 2.88Å; H313-P334 PolarHBondContact NE2-O 3.39Å; H313-L335 HydrophobicContact CB-CD2 4.42Å; H313-F339 HydrophobicContact CB-CD2 4.12Å; H313-F339 HydrophobicContact CB-CE2 3.91Å |
| 314 | L | 98.5 | Very high | 92 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 88.3 | 170.5 | 177.5 | 52.2 | 0 | 0 | 0 | 109 | S139 G140 L141 A169 Y171 L317 | S139-L314 PolarHBondContact O-N 2.85Å; G140-L314 WeakPolarHBondContact CA-O 3.33Å; L141-L314 HydrophobicContact CB-CD2 4.11Å; L141-L314 HydrophobicContact CB-CG 4Å; L141-L314 PolarHBondContact N-O 3.32Å; L141-L314 WeakPolarHBondContact O-CD2 3.45Å; A169-L314 HydrophobicContact CB-CD1 3.86Å; Y171-L314 HydrophobicContact CD1-CB 3.93Å; Y171-L314 HydrophobicContact CD1-CD1 4.47Å; Y171-L314 HydrophobicContact CD2-CD1 3.97Å; Y171-L314 HydrophobicContact CE1-CB 3.59Å; Y171-L314 HydrophobicContact CE1-CD1 4.23Å; Y171-L314 HydrophobicContact CE1-CG 4.34Å; Y171-L314 HydrophobicContact CE2-CD1 3.69Å; Y171-L314 HydrophobicContact CG-CD1 4.34Å; L314-L317 HydrophobicContact CD1-CD2 4.13Å; L314-L317 HydrophobicContact CD1-CG 4.44Å; L314-L317 HydrophobicContact CD2-CD1 4.45Å; L314-L317 HydrophobicContact CD2-CD2 4.18Å; L314-L317 HydrophobicContact CD2-CG 4.36Å |
| 315 | H | 97.9 | Very high | 91.1 | Very high | 32 Ų | 32 | 48 Ų | 48 | 15% | 0.148 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | -33.6 | -173.1 | -177.8 | 50.1 | 0 | 0 | 0 | 112.5 | T170 C172 H313 L332 A333 | T170-H315 PolarHBondContact O-N 3.36Å; T170-H315 VanDerWaalsContact O-N 3.12Å; C172-H315 HydrophobicContact CB-CB 4.37Å; H313-H315 VanDerWaalsContact C-N 3.28Å; H313-H315 PolarHBondContact O-N 3.42Å; H315-L332 CarbonylContact O-C 3.47Å; H315-L332 VanDerWaalsContact O-CA 3.32Å; H315-L332 WeakPolarHBondContact O-CA 3.37Å; H315-A333 PolarHBondContact CE1-O 3.39Å; H315-A333 PolarHBondContact ND1-O 2.92Å; H315-A333 PolarHBondContact O-N 2.79Å |
| 316 | R | 97.9 | Very high | 90.6 | Very high | 60 Ų | 60 | 50.6 Ų | 50.6 | 23% | 0.226 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 138.5 | -167.8 | 171 | -171.1 | 146.1 | -173 | -17.9 | 113.8 | L141 A169 T170 E330 L331 L332 | L141-R316 VanDerWaalsContact CD1-CA 3.49Å; A169-R316 WeakPolarHBondContact CA-O 3.36Å; T170-R316 PolarHBondContact N-O 3.16Å; T170-R316 PolarHBondContact O-N 3.2Å; R316-E330 WeakPolarHBondContact CD-OE1 3.36Å; R316-E330 HydrophobicContact CG-CG 3.95Å; R316-E330 WeakPolarHBondContact CG-OE1 3.44Å; R316-E330 IonicContact CZ-OE1 3.63Å; R316-E330 IonicContact NE-OE1 2.69Å; R316-E330 PolarHBondContact NE-OE1 2.84Å; R316-E330 IonicContact NH1-OE1 3.76Å; R316-L331 CarbonylContact C-O 3.57Å; R316-L331 VanDerWaalsContact CA-O 3.24Å; R316-L331 WeakPolarHBondContact CA-O 3.37Å; R316-L332 HydrophobicContact CB-CD2 3.74Å; R316-L332 HydrophobicContact CG-CD2 3.82Å |
| 317 | L | 97.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 139.6 | 170.2 | -70.6 | 173.3 | 0 | 0 | 0 | 110.6 | R132 L141 L143 T168 A169 L314 L331 | R132-L317 HydrophobicContact CB-CD1 4.31Å; R132-L317 HydrophobicContact CG-CD1 4.32Å; R132-L317 HydrophobicContact CG-CD2 4.21Å; L141-L317 HydrophobicContact CB-CD1 3.78Å; L141-L317 HydrophobicContact CB-CG 4.17Å; L141-L317 HydrophobicContact CD1-CB 4Å; L141-L317 HydrophobicContact CD1-CD1 4.15Å; L141-L317 HydrophobicContact CD1-CG 3.76Å; L143-L317 HydrophobicContact CB-CD1 4.3Å; T168-L317 CarbonylContact O-C 3.6Å; T168-L317 WeakPolarHBondContact O-CA 3.39Å; A169-L317 HydrophobicContact CB-CD2 3.84Å; L314-L317 HydrophobicContact CD1-CD2 4.13Å; L314-L317 HydrophobicContact CD1-CG 4.44Å; L314-L317 HydrophobicContact CD2-CD1 4.45Å; L314-L317 HydrophobicContact CD2-CD2 4.18Å; L314-L317 HydrophobicContact CD2-CG 4.36Å; L317-L331 HydrophobicContact CB-CB 4.34Å; L317-L331 PolarHBondContact N-O 2.8Å; L317-L331 PolarHBondContact O-N 3.33Å |
| 318 | L | 96.4 | Very high | 89.9 | Confident | 35 Ų | 35 | 53.8 Ų | 53.8 | 18% | 0.183 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 126.4 | 173 | -62.4 | 177.5 | 0 | 0 | 0 | 109.7 | F157 T168 P328 E330 | F157-L318 WeakPolarHBondContact CE1-O 3.37Å; T168-L318 PolarHBondContact O-N 3.25Å; L318-P328 HydrophobicContact CB-CB 4.47Å; L318-P328 HydrophobicContact CD2-CB 4.42Å; L318-E330 HydrophobicContact CD2-CB 4.2Å; L318-E330 HydrophobicContact CD2-CG 4.11Å |
| 319 | L | 94.9 | Very high | 89.9 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 155.9 | 174 | -55.6 | -172.2 | 0 | 0 | 0 | 110.3 | L90 L143 L154 F158 P328 I329 L331 | L90-L319 HydrophobicContact CD1-CD1 3.95Å; L143-L319 HydrophobicContact CD2-CD1 4.23Å; L143-L319 HydrophobicContact CD2-CD2 3.53Å; L154-L319 HydrophobicContact CD2-CD2 4.36Å; F158-L319 HydrophobicContact CE1-CD2 4.4Å; F158-L319 HydrophobicContact CE2-CD2 4.32Å; F158-L319 HydrophobicContact CZ-CD2 3.6Å; L319-P328 VanDerWaalsContact O-CA 3.29Å; L319-P328 WeakPolarHBondContact O-CA 3.36Å; L319-P328 WeakPolarHBondContact O-CB 3.45Å; L319-I329 HydrophobicContact CB-CB 4.17Å; L319-I329 PolarHBondContact N-O 2.71Å; L319-I329 PolarHBondContact O-N 2.98Å; L319-I329 VanDerWaalsContact O-N 3.07Å; L319-L331 HydrophobicContact CD1-CD1 3.76Å; L319-L331 HydrophobicContact CD1-CG 4.13Å; L319-L331 HydrophobicContact CD2-CD1 4.46Å; L319-L331 HydrophobicContact CG-CD1 4.12Å; L319-L331 HydrophobicContact CG-CG 4.34Å |
| 320 | P | 92 | Very high | 89.8 | Confident | 35 Ų | 35 | 61.5 Ų | 61.5 | 23% | 0.227 | 32% | 0.32 | C | S | . | . | trans | -60.9 | 142.9 | 173.5 | 27.1 | -33.4 | 0 | 0 | 0 | 110 | L154 F157 | L154-P320 HydrophobicContact CD2-CG 4Å; F157-P320 HydrophobicContact CB-CG 4.45Å; F157-P320 HydrophobicContact CD1-CG 4.37Å; F157-P320 HydrophobicContact CD2-CB 3.79Å; F157-P320 HydrophobicContact CD2-CG 3.88Å; F157-P320 HydrophobicContact CE2-CB 3.78Å; F157-P320 HydrophobicContact CE2-CG 4.2Å; F157-P320 HydrophobicContact CG-CB 4.39Å; F157-P320 HydrophobicContact CG-CG 3.96Å; F157-P320 HydrophobicContact CZ-CB 4.37Å | ||
| 321 | G | 84.8 | Confident | 89.7 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 12% | 0.124 | 32% | 0.322 | C | S | . | . | trans | -62.7 | 166.4 | 168 | 0 | 0 | 0 | 0 | 0 | 111.8 | R323 | G321-R323 VanDerWaalsContact C-N 3.26Å; G321-R323 PolarHBondContact O-N 2.93Å | ||
| 322 | T | 75.5 | Confident | 89.6 | Confident | 117 Ų | 117 | 65.7 Ų | 65.7 | 72% | 0.718 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -60.3 | -36.9 | -179.6 | 32.4 | 0 | 0 | 0 | 0 | 112.5 | D326 | T322-D326 WeakPolarHBondContact CB-OD2 3.48Å; T322-D326 PolarHBondContact N-OD2 3.3Å; T322-D326 PolarHBondContact OG1-OD2 3.12Å |
| 323 | R | 74.7 | Confident | 89.5 | Confident | 193 Ų | 193 | 65.5 Ų | 65.5 | 73% | 0.728 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -118.9 | 162.1 | 173.5 | -54.3 | 173.3 | 176.3 | -177.4 | -1 | 109.8 | G321 R325 D326 | G321-R323 VanDerWaalsContact C-N 3.26Å; G321-R323 PolarHBondContact O-N 2.93Å; R323-R325 PolarHBondContact O-N 2.9Å; R323-D326 VanDerWaalsContact CB-OD2 3.28Å; R323-D326 WeakPolarHBondContact CB-OD2 3.08Å; R323-D326 WeakPolarHBondContact CG-OD2 3.3Å; R323-D326 PolarHBondContact N-OD2 3.42Å; R323-D326 PolarHBondContact O-N 2.85Å |
| 324 | A | 66.9 | Low | 89.4 | Confident | 115 Ų | 115 | 69.1 Ų | 69.1 | 95% | 0.95 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 325 | R | 73.7 | Confident | 89.3 | Confident | 248 Ų | 248 | 70.5 Ų | 70.5 | 94% | 0.936 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -3.4 | 179 | -63.6 | -171.7 | -177.6 | -136.5 | 2.2 | 113.9 | R323 | R323-R325 PolarHBondContact O-N 2.9Š|
| 326 | D | 82.3 | Confident | 89.2 | Confident | 58 Ų | 58 | 69.5 Ų | 69.5 | 31% | 0.31 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -72.5 | 150.6 | -177.2 | -65 | -11.5 | 0 | 0 | 0 | 110.2 | T322 R323 | T322-D326 WeakPolarHBondContact CB-OD2 3.48Å; T322-D326 PolarHBondContact N-OD2 3.3Å; T322-D326 PolarHBondContact OG1-OD2 3.12Å; R323-D326 VanDerWaalsContact CB-OD2 3.28Å; R323-D326 WeakPolarHBondContact CB-OD2 3.08Å; R323-D326 WeakPolarHBondContact CG-OD2 3.3Å; R323-D326 PolarHBondContact N-OD2 3.42Å; R323-D326 PolarHBondContact O-N 2.85Å |
| 327 | T | 82.8 | Confident | 89.1 | Confident | 124 Ų | 124 | 69.2 Ų | 69.2 | 76% | 0.761 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 133.5 | 171.5 | 39.8 | 0 | 0 | 0 | 0 | 110 | I329 | T327-I329 PolarHBondContact O-N 2.79Š|
| 328 | P | 88.7 | Confident | 89 | Confident | 79 Ų | 79 | 69.2 Ų | 69.2 | 51% | 0.513 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 139.8 | 174.8 | -25.8 | 34.4 | 0 | 0 | 0 | 111.3 | L318 L319 E330 | L318-P328 HydrophobicContact CB-CB 4.47Å; L318-P328 HydrophobicContact CD2-CB 4.42Å; L319-P328 VanDerWaalsContact O-CA 3.29Å; L319-P328 WeakPolarHBondContact O-CA 3.36Å; L319-P328 WeakPolarHBondContact O-CB 3.45Å; P328-E330 PolarHBondContact O-N 2.93Å |
| 329 | I | 92.5 | Very high | 89 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 39% | 0.39 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 125.2 | 173.7 | -59.3 | 167.1 | 0 | 0 | 0 | 107.4 | L319 T327 | L319-I329 HydrophobicContact CB-CB 4.17Å; L319-I329 PolarHBondContact N-O 2.71Å; L319-I329 PolarHBondContact O-N 2.98Å; L319-I329 VanDerWaalsContact O-N 3.07Å; T327-I329 PolarHBondContact O-N 2.79Å |
| 330 | E | 94.6 | Very high | 89.1 | Confident | 95 Ų | 95 | 68.8 Ų | 68.8 | 44% | 0.444 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 128 | 179.3 | -169.5 | 168.8 | -146.8 | 0 | 0 | 110.5 | R316 L318 P328 L332 | R316-E330 WeakPolarHBondContact CD-OE1 3.36Å; R316-E330 HydrophobicContact CG-CG 3.95Å; R316-E330 WeakPolarHBondContact CG-OE1 3.44Å; R316-E330 IonicContact CZ-OE1 3.63Å; R316-E330 IonicContact NE-OE1 2.69Å; R316-E330 PolarHBondContact NE-OE1 2.84Å; R316-E330 IonicContact NH1-OE1 3.76Å; L318-E330 HydrophobicContact CD2-CB 4.2Å; L318-E330 HydrophobicContact CD2-CG 4.11Å; P328-E330 PolarHBondContact O-N 2.93Å; E330-L332 HydrophobicContact CG-CD2 3.91Å; E330-L332 HydrophobicContact CG-CG 4.16Å |
| 331 | L | 96.3 | Very high | 89.3 | Confident | 9 Ų | 9 | 67.7 Ų | 67.7 | 5% | 0.047 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.9 | 169.5 | -58.2 | -179.6 | 0 | 0 | 0 | 108.3 | T92 L141 L143 R316 L317 L319 | T92-L331 HydrophobicContact CG2-CB 4.5Å; T92-L331 HydrophobicContact CG2-CD1 4.25Å; L141-L331 HydrophobicContact CD1-CB 4.3Å; L141-L331 WeakPolarHBondContact CD1-O 3.45Å; L141-L331 HydrophobicContact CD2-CB 4.47Å; L143-L331 HydrophobicContact CD1-CD1 3.79Å; L143-L331 HydrophobicContact CD2-CD1 4.36Å; R316-L331 CarbonylContact C-O 3.57Å; R316-L331 VanDerWaalsContact CA-O 3.24Å; R316-L331 WeakPolarHBondContact CA-O 3.37Å; L317-L331 HydrophobicContact CB-CB 4.34Å; L317-L331 PolarHBondContact N-O 2.8Å; L317-L331 PolarHBondContact O-N 3.33Å; L319-L331 HydrophobicContact CD1-CD1 3.76Å; L319-L331 HydrophobicContact CD1-CG 4.13Å; L319-L331 HydrophobicContact CD2-CD1 4.46Å; L319-L331 HydrophobicContact CG-CD1 4.12Å; L319-L331 HydrophobicContact CG-CG 4.34Å |
| 332 | L | 96.7 | Very high | 89.9 | Confident | 82 Ų | 82 | 67.2 Ų | 67.2 | 43% | 0.429 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.6 | -179.7 | -61.6 | 176.9 | 0 | 0 | 0 | 110.1 | V84 H315 R316 E330 | V84-L332 WeakPolarHBondContact CG1-O 3.3Å; H315-L332 CarbonylContact O-C 3.47Å; H315-L332 VanDerWaalsContact O-CA 3.32Å; H315-L332 WeakPolarHBondContact O-CA 3.37Å; R316-L332 HydrophobicContact CB-CD2 3.74Å; R316-L332 HydrophobicContact CG-CD2 3.82Å; E330-L332 HydrophobicContact CG-CD2 3.91Å; E330-L332 HydrophobicContact CG-CG 4.16Å |
| 333 | A | 95.6 | Very high | 91 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | trans | -105.5 | 135.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | N94 L141 H313 H315 | N94-A333 HydrophobicContact CB-CB 4.28Å; L141-A333 HydrophobicContact CD2-CB 3.64Å; L141-A333 HydrophobicContact CG-CB 3.6Å; H313-A333 PolarHBondContact NE2-O 3.03Å; H315-A333 PolarHBondContact CE1-O 3.39Å; H315-A333 PolarHBondContact ND1-O 2.92Å; H315-A333 PolarHBondContact O-N 2.79Å | ||
| 334 | P | 96.2 | Very high | 92 | Very high | 75 Ų | 75 | 58 Ų | 58 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 144.7 | 171.8 | 26.8 | -31.4 | 0 | 0 | 0 | 110.4 | N94 H313 | N94-P334 PolarHBondContact ND2-O 2.75Å; H313-P334 PolarHBondContact CE1-O 2.88Å; H313-P334 PolarHBondContact NE2-O 3.39Å |
| 335 | L | 96.6 | Very high | 93.4 | Very high | 30 Ų | 30 | 53 Ų | 53 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 138.2 | 175.6 | -64.5 | 178.2 | 0 | 0 | 0 | 110.2 | C172 H313 F339 L343 L350 | C172-L335 HydrophobicContact CB-CD2 4.39Å; H313-L335 HydrophobicContact CB-CD2 4.42Å; L335-F339 HydrophobicContact CB-CD1 4.49Å; L335-F339 HydrophobicContact CD1-CD1 3.93Å; L335-F339 HydrophobicContact CD1-CE1 4.13Å; L335-F339 HydrophobicContact CD2-CD1 4.08Å; L335-F339 HydrophobicContact CD2-CE1 4.1Å; L335-F339 HydrophobicContact CD2-CG 4.4Å; L335-F339 HydrophobicContact CD2-CZ 4.41Å; L335-F339 HydrophobicContact CG-CD1 4.41Å; L335-L343 HydrophobicContact CD1-CD1 3.44Å; L335-L343 VanDerWaalsContact CD1-CD1 3.44Å; L335-L350 HydrophobicContact CD1-CD2 4.15Å; L335-L350 HydrophobicContact CG-CD2 4.42Å |
| 336 | P | 95.8 | Very high | 94.5 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 7% | 0.071 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 155.9 | 177.7 | 26.9 | -33 | 0 | 0 | 0 | 110.9 | Y338 F339 S340 | P336-Y338 HydrophobicContact CB-CD1 3.82Å; P336-Y338 HydrophobicContact CB-CE1 3.52Å; P336-Y338 HydrophobicContact CG-CD1 3.99Å; P336-Y338 HydrophobicContact CG-CE1 3.36Å; P336-Y338 HydrophobicContact CG-CE2 4.25Å; P336-Y338 PolarHBondContact O-N 2.84Å; P336-F339 HydrophobicContact CG-CB 3.76Å; P336-F339 WeakPolarHBondContact O-CB 3.4Å; P336-F339 PolarHBondContact O-N 3.43Å; P336-S340 PolarHBondContact O-N 2.68Å; P336-S340 PolarHBondContact O-OG 3.5Å |
| 337 | P | 95.6 | Very high | 95.2 | Very high | 53 Ų | 53 | 40.3 Ų | 40.3 | 34% | 0.344 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -54.8 | -43.5 | -175.5 | -30.5 | 36.7 | 0 | 0 | 0 | 114.7 | L52 P63 F339 S340 R341 | L52-P337 HydrophobicContact CD2-CB 4.32Å; P63-P337 HydrophobicContact CB-CB 3.86Å; P337-F339 VanDerWaalsContact C-N 3.28Å; P337-F339 PolarHBondContact O-N 2.8Å; P337-S340 PolarHBondContact O-N 3.26Å; P337-R341 WeakPolarHBondContact O-CB 3.4Å; P337-R341 PolarHBondContact O-N 3.38Å |
| 338 | Y | 95.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.1 | -40.8 | 176.5 | 71.6 | -98.1 | 0 | 0 | 0 | 112.2 | P63 L65 Q97 S139 P309 L310 H311 P336 T342 | P63-Y338 PolarHBondContact O-N 3.22Å; L65-Y338 HydrophobicContact CD2-CE1 4.42Å; Q97-Y338 PolarHBondContact OE1-OH 2.89Å; S139-Y338 PolarHBondContact OG-OH 3.2Å; P309-Y338 HydrophobicContact CB-CD1 4.21Å; P309-Y338 HydrophobicContact CB-CD2 3.66Å; P309-Y338 HydrophobicContact CB-CE1 4.07Å; P309-Y338 HydrophobicContact CB-CE2 3.52Å; P309-Y338 HydrophobicContact CB-CG 4.02Å; P309-Y338 HydrophobicContact CG-CD1 4.2Å; P309-Y338 HydrophobicContact CG-CD2 3.92Å; P309-Y338 HydrophobicContact CG-CE2 4.28Å; P309-Y338 HydrophobicContact CG-CG 3.89Å; L310-Y338 PolarHBondContact O-OH 2.69Å; L310-Y338 VanDerWaalsContact O-OH 3.05Å; H311-Y338 AromaticContact CE1-CD2 3.79Å; H311-Y338 AromaticContact NE2-CD2 3.75Å; P336-Y338 HydrophobicContact CB-CD1 3.82Å; P336-Y338 HydrophobicContact CB-CE1 3.52Å; P336-Y338 HydrophobicContact CG-CD1 3.99Å; P336-Y338 HydrophobicContact CG-CE1 3.36Å; P336-Y338 HydrophobicContact CG-CE2 4.25Å; P336-Y338 PolarHBondContact O-N 2.84Å; Y338-T342 PolarHBondContact O-N 3.4Å; Y338-T342 VanDerWaalsContact O-N 3.11Å; Y338-T342 PolarHBondContact O-OG1 2.96Å |
| 339 | F | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.4 | -46.2 | -179 | -164.2 | -57.5 | 0 | 0 | 0 | 109.8 | C172 V174 L234 H311 H313 L335 P336 P337 R341 T342 L343 | C172-F339 HydrophobicContact CB-CZ 4.04Å; V174-F339 HydrophobicContact CG2-CD1 4.29Å; V174-F339 HydrophobicContact CG2-CE1 3.63Å; V174-F339 HydrophobicContact CG2-CE2 4.46Å; V174-F339 HydrophobicContact CG2-CZ 3.72Å; L234-F339 HydrophobicContact CD1-CE1 4.15Å; L234-F339 HydrophobicContact CD1-CZ 4.23Å; H311-F339 HydrophobicContact CB-CD2 4.1Å; H311-F339 HydrophobicContact CB-CE2 3.97Å; H313-F339 HydrophobicContact CB-CD2 4.12Å; H313-F339 HydrophobicContact CB-CE2 3.91Å; L335-F339 HydrophobicContact CB-CD1 4.49Å; L335-F339 HydrophobicContact CD1-CD1 3.93Å; L335-F339 HydrophobicContact CD1-CE1 4.13Å; L335-F339 HydrophobicContact CD2-CD1 4.08Å; L335-F339 HydrophobicContact CD2-CE1 4.1Å; L335-F339 HydrophobicContact CD2-CG 4.4Å; L335-F339 HydrophobicContact CD2-CZ 4.41Å; L335-F339 HydrophobicContact CG-CD1 4.41Å; P336-F339 HydrophobicContact CG-CB 3.76Å; P336-F339 WeakPolarHBondContact O-CB 3.4Å; P336-F339 PolarHBondContact O-N 3.43Å; P337-F339 VanDerWaalsContact C-N 3.28Å; P337-F339 PolarHBondContact O-N 2.8Å; F339-R341 VanDerWaalsContact C-N 3.34Å; F339-R341 PolarHBondContact O-N 2.93Å; F339-T342 WeakPolarHBondContact O-CB 3.27Å; F339-T342 PolarHBondContact O-N 3.25Å; F339-L343 HydrophobicContact CD1-CD1 3.94Å; F339-L343 HydrophobicContact CD1-CD2 4.32Å; F339-L343 HydrophobicContact CD1-CG 3.85Å; F339-L343 HydrophobicContact CE1-CD1 3.88Å; F339-L343 HydrophobicContact CE1-CD2 3.91Å; F339-L343 HydrophobicContact CE1-CG 3.9Å; F339-L343 WeakPolarHBondContact O-CG 3.42Å; F339-L343 PolarHBondContact O-N 3.24Å |
| 340 | S | 96.9 | Very high | 95.7 | Very high | 30 Ų | 30 | 36.1 Ų | 36.1 | 21% | 0.21 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.9 | -41.5 | 177.8 | -61 | 0 | 0 | 0 | 0 | 112.3 | P336 P337 L343 Q344 | P336-S340 PolarHBondContact O-N 2.68Å; P336-S340 PolarHBondContact O-OG 3.5Å; P337-S340 PolarHBondContact O-N 3.26Å; S340-L343 PolarHBondContact O-N 3.48Å; S340-Q344 WeakPolarHBondContact O-CG 3.47Å; S340-Q344 PolarHBondContact O-N 3.36Å; S340-Q344 VanDerWaalsContact O-N 3.08Å |
| 341 | R | 95.9 | Very high | 94.3 | Very high | 11 Ų | 11 | 41 Ų | 41 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.2 | -47.6 | 173.8 | -179.5 | -175.2 | 179 | -86.3 | 3.9 | 111.1 | G55 L57 L298 P337 F339 L343 Q344 C345 | G55-R341 PolarHBondContact O-NH2 3.26Å; L57-R341 VanDerWaalsContact CD1-NE 3.27Å; L298-R341 PolarHBondContact O-NH1 3.27Å; L298-R341 PolarHBondContact O-NH2 3.23Å; P337-R341 WeakPolarHBondContact O-CB 3.4Å; P337-R341 PolarHBondContact O-N 3.38Å; F339-R341 VanDerWaalsContact C-N 3.34Å; F339-R341 PolarHBondContact O-N 2.93Å; R341-L343 VanDerWaalsContact C-N 3.34Å; R341-L343 PolarHBondContact O-N 3.04Å; R341-Q344 WeakPolarHBondContact O-CB 3.09Å; R341-Q344 PolarHBondContact O-N 3.1Å; R341-C345 PolarHBondContact O-N 3.38Å; R341-C345 PolarHBondContact O-SG 3.41Å |
| 342 | T | 97.2 | Very high | 94.2 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.1 | -44.3 | 177.8 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | V174 L259 L298 H311 Y338 F339 Q344 C345 L346 | V174-T342 HydrophobicContact CG1-CG2 4.19Å; V174-T342 HydrophobicContact CG2-CG2 4.42Å; L259-T342 HydrophobicContact CD2-CG2 3.57Å; L298-T342 HydrophobicContact CD2-CG2 3.98Å; H311-T342 WeakPolarHBondContact NE2-CB 3.24Å; H311-T342 PolarHBondContact NE2-OG1 3.24Å; Y338-T342 PolarHBondContact O-N 3.4Å; Y338-T342 VanDerWaalsContact O-N 3.11Å; Y338-T342 PolarHBondContact O-OG1 2.96Å; F339-T342 WeakPolarHBondContact O-CB 3.27Å; F339-T342 PolarHBondContact O-N 3.25Å; T342-Q344 VanDerWaalsContact C-N 3.32Å; T342-Q344 PolarHBondContact O-N 2.77Å; T342-C345 PolarHBondContact O-N 3.36Å; T342-L346 HydrophobicContact CG2-CD1 3.64Å; T342-L346 HydrophobicContact CG2-CG 4.33Å; T342-L346 WeakPolarHBondContact O-CB 3.48Å; T342-L346 VanDerWaalsContact O-CG 3.27Å; T342-L346 WeakPolarHBondContact O-CG 3.46Å; T342-L346 PolarHBondContact O-N 3.31Å |
| 343 | L | 97.8 | Very high | 94.1 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.2 | -45 | 176.2 | -68.8 | -174 | 0 | 0 | 0 | 111.8 | V174 L234 L335 F339 S340 R341 L346 G347 L348 | V174-L343 HydrophobicContact CG2-CD2 3.69Å; L234-L343 HydrophobicContact CB-CD2 4.44Å; L234-L343 HydrophobicContact CD1-CD2 4.11Å; L234-L343 HydrophobicContact CD2-CD1 4.43Å; L234-L343 HydrophobicContact CD2-CD2 4.17Å; L234-L343 HydrophobicContact CG-CD2 4.48Å; L335-L343 HydrophobicContact CD1-CD1 3.44Å; L335-L343 VanDerWaalsContact CD1-CD1 3.44Å; F339-L343 HydrophobicContact CD1-CD1 3.94Å; F339-L343 HydrophobicContact CD1-CD2 4.32Å; F339-L343 HydrophobicContact CD1-CG 3.85Å; F339-L343 HydrophobicContact CE1-CD1 3.88Å; F339-L343 HydrophobicContact CE1-CD2 3.91Å; F339-L343 HydrophobicContact CE1-CG 3.9Å; F339-L343 WeakPolarHBondContact O-CG 3.42Å; F339-L343 PolarHBondContact O-N 3.24Å; S340-L343 PolarHBondContact O-N 3.48Å; R341-L343 VanDerWaalsContact C-N 3.34Å; R341-L343 PolarHBondContact O-N 3.04Å; L343-L346 PolarHBondContact O-N 2.75Å; L343-G347 PolarHBondContact O-N 3.2Å; L343-L348 HydrophobicContact CB-CB 4.35Å; L343-L348 WeakPolarHBondContact CB-O 2.83Å; L343-L348 HydrophobicContact CD2-CB 3.6Å; L343-L348 HydrophobicContact CD2-CD1 3.96Å; L343-L348 HydrophobicContact CD2-CG 4.44Å; L343-L348 PolarHBondContact O-N 3.35Å |
| 344 | Q | 96.8 | Very high | 94 | Very high | 105 Ų | 105 | 42.7 Ų | 42.7 | 49% | 0.491 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.9 | -47.8 | 176.8 | -69.9 | 171.5 | -4.5 | 0 | 0 | 112.2 | S340 R341 T342 L346 G347 | S340-Q344 WeakPolarHBondContact O-CG 3.47Å; S340-Q344 PolarHBondContact O-N 3.36Å; S340-Q344 VanDerWaalsContact O-N 3.08Å; R341-Q344 WeakPolarHBondContact O-CB 3.09Å; R341-Q344 PolarHBondContact O-N 3.1Å; T342-Q344 VanDerWaalsContact C-N 3.32Å; T342-Q344 PolarHBondContact O-N 2.77Å; Q344-L346 PolarHBondContact O-N 3.28Å; Q344-G347 PolarHBondContact O-N 2.93Å |
| 345 | C | 96.8 | Very high | 93.9 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 7% | 0.068 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.5 | -37.3 | 177 | -75 | 0 | 0 | 0 | 0 | 112.5 | R297 L298 R341 T342 | R297-C345 VanDerWaalsContact CD-O 3.27Å; R297-C345 WeakPolarHBondContact CD-O 3.33Å; R297-C345 WeakPolarHBondContact CG-O 3.47Å; R297-C345 PolarHBondContact NE-O 3.41Å; R297-C345 VanDerWaalsContact NE-O 3.1Å; R297-C345 WeakPolarHBondContact O-CB 3.25Å; L298-C345 HydrophobicContact CD2-CB 4.02Å; R341-C345 PolarHBondContact O-N 3.38Å; R341-C345 PolarHBondContact O-SG 3.41Å; T342-C345 PolarHBondContact O-N 3.36Å |
| 346 | L | 97.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -88.7 | -10.6 | -176.5 | -62.4 | 175.7 | 0 | 0 | 0 | 113.9 | V174 S230 C232 L294 R297 L298 T342 L343 Q344 L348 | V174-L346 HydrophobicContact CG1-CD1 3.82Å; S230-L346 PolarHBondContact OG-O 2.63Å; C232-L346 HydrophobicContact CB-CD1 3.89Å; L294-L346 HydrophobicContact CD1-CD2 3.55Å; R297-L346 HydrophobicContact CG-CD2 3.92Å; L298-L346 HydrophobicContact CD2-CD1 4.23Å; L298-L346 HydrophobicContact CD2-CD2 3.84Å; L298-L346 HydrophobicContact CD2-CG 3.88Å; L298-L346 HydrophobicContact CG-CD2 4.38Å; T342-L346 HydrophobicContact CG2-CD1 3.64Å; T342-L346 HydrophobicContact CG2-CG 4.33Å; T342-L346 WeakPolarHBondContact O-CB 3.48Å; T342-L346 VanDerWaalsContact O-CG 3.27Å; T342-L346 WeakPolarHBondContact O-CG 3.46Å; T342-L346 PolarHBondContact O-N 3.31Å; L343-L346 PolarHBondContact O-N 2.75Å; Q344-L346 PolarHBondContact O-N 3.28Å; L346-L348 HydrophobicContact CB-CD1 3.81Å; L346-L348 HydrophobicContact CB-CG 3.79Å; L346-L348 HydrophobicContact CD1-CD1 3.84Å; L346-L348 HydrophobicContact CG-CD1 4.5Å |
| 347 | G | 96 | Very high | 93.6 | Very high | 38 Ų | 38 | 43.5 Ų | 43.5 | 39% | 0.392 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 31.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113 | L343 Q344 | L343-G347 PolarHBondContact O-N 3.2Å; Q344-G347 PolarHBondContact O-N 2.93Å |
| 348 | L | 96.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | trans | -98 | 137 | 179.9 | -62.5 | 174 | 0 | 0 | 0 | 109.9 | V174 A227 L234 L343 L346 | V174-L348 HydrophobicContact CG1-CD1 4.18Å; A227-L348 HydrophobicContact CB-CB 4.45Å; A227-L348 HydrophobicContact CB-CD2 3.92Å; L234-L348 HydrophobicContact CB-CB 4.4Å; L234-L348 HydrophobicContact CB-CD1 4.31Å; L343-L348 HydrophobicContact CB-CB 4.35Å; L343-L348 WeakPolarHBondContact CB-O 2.83Å; L343-L348 HydrophobicContact CD2-CB 3.6Å; L343-L348 HydrophobicContact CD2-CD1 3.96Å; L343-L348 HydrophobicContact CD2-CG 4.44Å; L343-L348 PolarHBondContact O-N 3.35Å; L346-L348 HydrophobicContact CB-CD1 3.81Å; L346-L348 HydrophobicContact CB-CG 3.79Å; L346-L348 HydrophobicContact CD1-CD1 3.84Å; L346-L348 HydrophobicContact CG-CD1 4.5Å | ||
| 349 | H | 92.2 | Very high | 93.2 | Very high | 137 Ų | 137 | 46 Ų | 46 | 63% | 0.634 | 24% | 0.24 | S | C | * | . | trans | -124 | 130.4 | 179.3 | -61 | -71.8 | 0 | 0 | 0 | 110.5 | ||||
| 350 | L | 85.4 | Confident | 92.9 | Very high | 51 Ų | 51 | 49.8 Ų | 49.8 | 27% | 0.267 | 26% | 0.26 | S | S | . | . | trans | -77.7 | 123.3 | 167.1 | -169.6 | 69.5 | 0 | 0 | 0 | 107.2 | L234 L335 | L234-L350 HydrophobicContact CD2-CB 4.07Å; L234-L350 HydrophobicContact CD2-CD1 3.9Å; L335-L350 HydrophobicContact CD1-CD2 4.15Å; L335-L350 HydrophobicContact CG-CD2 4.42Å | ||
| 351 | Q | 65.5 | Low | 92.5 | Very high | 198 Ų | 198 | 51.6 Ų | 51.6 | 93% | 0.925 | 27% | 0.265 | S | S | * | . | trans | -72.8 | 0 | 178.5 | -71.1 | -172.7 | -26.9 | 0 | 0 | 112.4 | V226 | V226-Q351 HydrophobicContact CG1-CB 4.35Å; V226-Q351 HydrophobicContact CG1-CG 4.07Å |
Retrieved 351 of 351 residues in 189.1 ms
(Link to these results)