| 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 | Very low | 37.2 | Very low | 225 Ų | 225 | 124.5 Ų | 124.5 | 100% | 1.108 | 69% | 0.69 | S | S | * | * | 0 | 92.3 | 0 | -65.9 | 179.9 | 78.1 | 0 | 0 | 105.6 | |||||
| 2 | T | 38.9 | Very low | 36.7 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 74% | 0.736 | 67% | 0.672 | S | S | * | * | 73.8 | 124.4 | 86.5 | 55 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 3 | S | 36.2 | Very low | 37 | Very low | 91 Ų | 91 | 119.6 Ų | 119.6 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | cis | -166.6 | 159.2 | -4.4 | -114.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 4 | D | 43.5 | Very low | 36.3 | Very low | 124 Ų | 124 | 122.1 Ų | 122.1 | 66% | 0.663 | 67% | 0.666 | S | S | * | * | 28.4 | 142.4 | 129 | -59.6 | -86.8 | 0 | 0 | 0 | 121.1 | |||||
| 5 | Q | 40 | Very low | 35.8 | Very low | 150 Ų | 150 | 122.5 Ų | 122.5 | 70% | 0.701 | 67% | 0.674 | S | S | * | * | cis | -148.1 | 155.3 | -6.1 | -80.2 | -114.5 | -27.9 | 0 | 0 | 107 | ||||
| 6 | D | 39.3 | Very low | 35.3 | Very low | 119 Ų | 119 | 125 Ų | 125 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | 52.5 | 122.4 | 74 | -109.6 | -61.1 | 0 | 0 | 0 | 112.4 | |||||
| 7 | T | 38.4 | Very low | 34.9 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 72% | 0.718 | 69% | 0.69 | S | S | * | * | -158.2 | 155.8 | 55.3 | 32.6 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 8 | K | 38.5 | Very low | 34.5 | Very low | 172 Ų | 172 | 127.7 Ų | 127.7 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | cis | 86.1 | 134.4 | 36.8 | -164.1 | -174.9 | -175 | -62.5 | 0 | 112.5 | ||||
| 9 | V | 36.2 | Very low | 34 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 58% | 0.582 | 70% | 0.699 | S | S | * | * | cis | -176.5 | -178.9 | -20.5 | 87.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 10 | V | 33.5 | Very low | 33.7 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 61% | 0.612 | 71% | 0.708 | S | S | * | * | -153.9 | 151.8 | -93.1 | 84.4 | 0 | 0 | 0 | 0 | 114.5 | D428 S429 | V10-D428 PolarHBondContact N-O 3.29Å; V10-D428 CarbonylContact O-C 3.54Å; V10-S429 VanDerWaalsContact CA-OG 3.3Å; V10-S429 WeakPolarHBondContact CA-OG 3.39Å | |||
| 11 | A | 33 | Very low | 33.4 | Very low | 54 Ų | 54 | 131.6 Ų | 131.6 | 45% | 0.446 | 71% | 0.711 | S | S | . | * | trans | 68.8 | 160.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | D428 S429 | A11-D428 CarbonylContact O-C 3.55Å; A11-D428 VanDerWaalsContact O-C 3.28Å; A11-D428 VanDerWaalsContact O-CA 3.29Å; A11-D428 WeakPolarHBondContact O-CA 3.37Å; A11-S429 VanDerWaalsContact C-OG 3.22Å; A11-S429 WeakPolarHBondContact CA-OG 3.32Å; A11-S429 PolarHBondContact N-OG 2.99Å; A11-S429 WeakPolarHBondContact O-CB 3.13Å; A11-S429 PolarHBondContact O-N 2.85Å; A11-S429 PolarHBondContact O-OG 3.21Å | ||
| 12 | E | 30.5 | Very low | 33.2 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 48% | 0.477 | 69% | 0.694 | S | S | . | * | trans | 70.8 | 166.6 | 154.6 | -82 | -162.1 | 90.2 | 0 | 0 | 123.2 | Q14 L427 | E12-Q14 PolarHBondContact OE1-NE2 2.93Å; E12-L427 HydrophobicContact CB-CD2 3.57Å; E12-L427 HydrophobicContact CG-CD2 4.04Å; E12-L427 VanDerWaalsContact OE2-CD2 3.29Å; E12-L427 WeakPolarHBondContact OE2-CD2 3.46Å | ||
| 13 | P | 41.2 | Very low | 32.6 | Very low | 84 Ų | 84 | 129.7 Ų | 129.7 | 55% | 0.545 | 69% | 0.688 | S | S | . | * | cis | -122.9 | 160 | -2 | 19.4 | 4.3 | 0 | 0 | 0 | 118.1 | L427 | P13-L427 HydrophobicContact CB-CD2 4.42Š| ||
| 14 | Q | 27.4 | Very low | 32.1 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | trans | 31.3 | 146.1 | 137.5 | -56.3 | 172.1 | 36 | 0 | 0 | 120.8 | E12 | E12-Q14 PolarHBondContact OE1-NE2 2.93Š| ||
| 15 | V | 28.5 | Very low | 31.3 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 78% | 0.776 | 69% | 0.694 | S | S | * | * | -168.2 | 145.9 | 75.3 | 155.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 16 | Q | 27.2 | Very low | 30.7 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | trans | 7.2 | 127.8 | 151.2 | -136.3 | 91.3 | -17.7 | 0 | 0 | 120.3 | ||||
| 17 | Q | 28.7 | Very low | 30.4 | Very low | 185 Ų | 185 | 132.2 Ų | 132.2 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | -174.5 | 150.1 | 107.1 | -101.4 | -179 | 20.6 | 0 | 0 | 116.7 | |||||
| 18 | V | 27.1 | Very low | 29.8 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 69% | 0.685 | 71% | 0.71 | S | S | * | * | trans | -40.6 | 146.6 | 159 | -175 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 19 | Q | 26.3 | Very low | 29.5 | Very low | 187 Ų | 187 | 132.8 Ų | 132.8 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | -171.2 | 176.9 | 70.6 | -159.5 | 140 | -13.1 | 0 | 0 | 115.6 | |||||
| 20 | E | 27.9 | Very low | 29.2 | Very low | 186 Ų | 186 | 133 Ų | 133 | 87% | 0.869 | 72% | 0.722 | S | S | * | * | trans | -102 | 129.5 | -175.6 | 174.4 | -165.7 | 158.9 | 0 | 0 | 113.3 | ||||
| 21 | A | 26.4 | Very low | 29.1 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | -179.8 | 143.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 22 | K | 28.9 | Very low | 29.3 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | cis | 90.7 | 119.7 | 23.2 | -164.7 | 168.9 | -173.3 | -88.6 | 0 | 115.9 | ||||
| 23 | E | 25.3 | Very low | 29.6 | Very low | 128 Ų | 128 | 141 Ų | 141 | 60% | 0.598 | 76% | 0.76 | S | S | * | * | trans | 77.6 | 137.2 | 160.7 | -98.3 | -178.9 | 99.6 | 0 | 0 | 122 | ||||
| 24 | N | 26.1 | Very low | 29.4 | Very low | 130 Ų | 130 | 144 Ų | 144 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | trans | 69.1 | 151.1 | 144.2 | -63.9 | -20.5 | 0 | 0 | 0 | 119.8 | ||||
| 25 | S | 27.4 | Very low | 30.2 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -169.6 | -175.8 | -20.1 | 58.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 26 | H | 26.8 | Very low | 31.1 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | 127 | 159.8 | 143.1 | -148.6 | 67.7 | 0 | 0 | 0 | 116.6 | ||||
| 27 | L | 32.5 | Very low | 32.3 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -85.4 | 173.3 | -161.8 | -51.2 | 169.4 | 0 | 0 | 0 | 110.7 | ||||
| 28 | E | 27 | Very low | 32.8 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | -154.1 | -171.7 | 61.8 | -138.6 | -176.2 | 128.3 | 0 | 0 | 114.6 | |||||
| 29 | S | 32.3 | Very low | 34.1 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -134.7 | 141.6 | -166.6 | -170.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 30 | A | 29.1 | Very low | 34.8 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -140.8 | 165.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 31 | K | 31.6 | Very low | 35.5 | Very low | 194 Ų | 194 | 136.7 Ų | 136.7 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -121.7 | 132.6 | -160.9 | -76.8 | 175.9 | 177.9 | 166.6 | 0 | 115.4 | ||||
| 32 | V | 36.6 | Very low | 35.8 | Very low | 132 Ų | 132 | 144 Ų | 144 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | 62.6 | 154.5 | 127.2 | -174.6 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 33 | S | 38 | Very low | 36.1 | Very low | 99 Ų | 99 | 140.2 Ų | 140.2 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | trans | 82.5 | 147.2 | 171.7 | -98.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 34 | D | 35.3 | Very low | 36.5 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | cis | -132.3 | 170 | 9 | -92.4 | -48.8 | 0 | 0 | 0 | 114.6 | ||||
| 35 | L | 44.4 | Very low | 36.7 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -128.9 | 158.5 | 173 | -80.9 | 173.8 | 0 | 0 | 0 | 112.3 | ||||
| 36 | N | 48.1 | Very low | 36.7 | Very low | 127 Ų | 127 | 147 Ų | 147 | 68% | 0.679 | 81% | 0.809 | S | S | * | * | trans | -50.6 | 125.9 | -172.9 | -179.6 | -10.3 | 0 | 0 | 0 | 113.9 | N38 | N36-N38 PolarHBondContact O-N 3.18Å; N36-N38 PolarHBondContact OD1-N 2.73Å | ||
| 37 | P | 51.6 | Low | 36.9 | Very low | 131 Ų | 131 | 148.3 Ų | 148.3 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -80.3 | -7.1 | -174.4 | 32.2 | -37.3 | 0 | 0 | 0 | 116.4 | ||
| 38 | N | 40.1 | Very low | 36.8 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -112.6 | 27.9 | -164.6 | -152.6 | 11.8 | 0 | 0 | 0 | 115.9 | N36 | N36-N38 PolarHBondContact O-N 3.18Å; N36-N38 PolarHBondContact OD1-N 2.73Å | ||
| 39 | A | 54.3 | Low | 36.9 | Very low | 93 Ų | 93 | 145 Ų | 145 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -99.5 | 124.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 40 | K | 41.3 | Very low | 36.8 | Very low | 192 Ų | 192 | 146.8 Ų | 146.8 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -129.5 | 115 | -178.9 | -165.4 | 177.1 | -174.6 | -178.8 | 0 | 109.9 | ||||
| 41 | A | 42.8 | Very low | 36.8 | Very low | 101 Ų | 101 | 148.8 Ų | 148.8 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -115.3 | 141.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 42 | W | 32.8 | Very low | 36.7 | Very low | 247 Ų | 247 | 145.6 Ų | 145.6 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | trans | -91.2 | 132.7 | 176 | -64.1 | -65.3 | 0 | 0 | 0 | 110.9 | ||||
| 43 | A | 35.5 | Very low | 36.2 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -135.7 | 142 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 44 | N | 32.9 | Very low | 35.8 | Very low | 173 Ų | 173 | 145 Ų | 145 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | trans | -72.3 | 149 | -170.9 | -61.3 | -62.3 | 0 | 0 | 0 | 112.6 | ||||
| 45 | H | 30.2 | Very low | 35.5 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | trans | -108.3 | 117.8 | 170.4 | -151.3 | -68.8 | 0 | 0 | 0 | 109.4 | ||||
| 46 | M | 27.8 | Very low | 34.8 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 84% | 0.837 | 81% | 0.812 | S | S | * | * | trans | -74.2 | 142.9 | 161.6 | -76.7 | 168.6 | 55.1 | 0 | 0 | 108.9 | ||||
| 47 | F | 31.1 | Very low | 33.9 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | -99 | 143.7 | 158.8 | -87.5 | -86.6 | 0 | 0 | 0 | 109.5 | ||||
| 48 | S | 29.3 | Very low | 32.8 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | trans | -132.7 | 137.4 | 165.3 | -170.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 49 | L | 30.9 | Very low | 32.3 | Very low | 168 Ų | 168 | 139 Ų | 139 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | trans | -146.3 | 141 | 168.9 | -145.1 | 79.8 | 0 | 0 | 0 | 108.4 | ||||
| 50 | D | 28.6 | Very low | 31.1 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -87.4 | 160.6 | -160 | -57.9 | -78.9 | 0 | 0 | 0 | 115 | ||||
| 51 | T | 30.2 | Very low | 30.5 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | -84.2 | 133.7 | 177 | 49.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 52 | S | 29 | Very low | 29.8 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 88% | 0.881 | 81% | 0.814 | S | S | * | * | 173.4 | 128.9 | 120.9 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 53 | G | 26.7 | Very low | 29.5 | Very low | 76 Ų | 76 | 135.1 Ų | 135.1 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | 176.6 | 132 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 54 | T | 28.2 | Very low | 29.9 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | -109.5 | 158 | -160.8 | -36.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 55 | A | 29.5 | Very low | 29.7 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 65% | 0.645 | 81% | 0.806 | S | S | * | * | trans | 108.6 | 103.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 56 | D | 30.1 | Very low | 29.8 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | 80.3 | 134.8 | 125.8 | -55.7 | -11.4 | 0 | 0 | 0 | 124 | |||||
| 57 | T | 28.9 | Very low | 29.9 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | 93.1 | 82.2 | 147.7 | -51.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 58 | T | 29.3 | Very low | 29.6 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | 90.7 | 109.8 | 114.9 | -59.2 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 59 | T | 28.7 | Very low | 29.5 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | 90.1 | 118.2 | 135.9 | -67 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 60 | A | 28.6 | Very low | 29.2 | Very low | 95 Ų | 95 | 133 Ų | 133 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 64 | 159.2 | 148.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 61 | A | 28.8 | Very low | 29.2 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | cis | -133.6 | -174.2 | 6.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 62 | L | 28.6 | Very low | 29.1 | Very low | 177 Ų | 177 | 129.4 Ų | 129.4 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | trans | -91.1 | 169.9 | -169 | -70.9 | 166.6 | 0 | 0 | 0 | 114.8 | ||||
| 63 | Q | 27.5 | Very low | 29.1 | Very low | 177 Ų | 177 | 128.4 Ų | 128.4 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -91.3 | -156.2 | 173.3 | -61.7 | -145.2 | -21.3 | 0 | 0 | 112 | ||||
| 64 | P | 43 | Very low | 29.1 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | -123.7 | 165.8 | -86.5 | 37.7 | -23 | 0 | 0 | 0 | 113.2 | |||||
| 65 | W | 29.1 | Very low | 30 | Very low | 262 Ų | 262 | 130.6 Ų | 130.6 | 99% | 0.992 | 78% | 0.778 | S | S | * | * | trans | -127.2 | 163.8 | 174.5 | -69.5 | -29.1 | 0 | 0 | 0 | 114.8 | ||||
| 66 | K | 31 | Very low | 29.8 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 70% | 0.704 | 79% | 0.785 | S | S | * | * | trans | -168.6 | 161.6 | -151.9 | -146.7 | -100.9 | -164.9 | -178.4 | 0 | 109.3 | ||||
| 67 | E | 30 | Very low | 30.7 | Very low | 159 Ų | 159 | 129.2 Ų | 129.2 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | 74.7 | 152 | 171.7 | -111.1 | 76.3 | -100.5 | 0 | 0 | 119.3 | ||||
| 68 | G | 25.6 | Very low | 30.7 | Very low | 66 Ų | 66 | 133.2 Ų | 133.2 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | 93.1 | 123.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 69 | C | 26.5 | Very low | 30.7 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | cis | 57.8 | 131.5 | 25.6 | -60.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 70 | D | 25.8 | Very low | 30.7 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | cis | -154.9 | 160.7 | 25.7 | -135 | -53.1 | 0 | 0 | 0 | 115.3 | ||||
| 71 | S | 28.4 | Very low | 30.7 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | trans | 39.4 | 122.5 | 149.1 | -68.6 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 72 | S | 28.7 | Very low | 30.7 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | 97 | 160.7 | 122.4 | 78.4 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 73 | A | 29 | Very low | 30.7 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | 90.1 | 132.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 74 | D | 26.5 | Very low | 30.6 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -113.3 | -171.2 | -177.9 | -147.6 | 20.3 | 0 | 0 | 0 | 108.8 | ||||
| 75 | P | 46.6 | Very low | 29.9 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | -129 | 160.6 | -116.1 | 38.5 | -19.4 | 0 | 0 | 0 | 118.1 | |||||
| 76 | G | 24.9 | Very low | 30.2 | Very low | 76 Ų | 76 | 130.7 Ų | 130.7 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | 70.3 | -161.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 77 | P | 49 | Very low | 30.2 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | cis | -139.8 | 128.5 | -24.2 | 34.9 | -16.6 | 0 | 0 | 0 | 114.9 | ||||
| 78 | E | 29.6 | Very low | 30.1 | Very low | 207 Ų | 207 | 129 Ų | 129 | 97% | 0.967 | 77% | 0.77 | S | S | * | * | trans | -160.3 | 151.1 | 170 | -104.8 | 166.3 | -162.1 | 0 | 0 | 108.6 | ||||
| 79 | G | 29.2 | Very low | 30.2 | Very low | 69 Ų | 69 | 134.3 Ų | 134.3 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | cis | 169.8 | 129.7 | -9.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 80 | F | 28.8 | Very low | 30.3 | Very low | 204 Ų | 204 | 135.6 Ų | 135.6 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | 56.7 | 108 | 163.9 | -105.9 | -111 | 0 | 0 | 0 | 121.5 | ||||
| 81 | E | 28.2 | Very low | 31.1 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | 56.6 | 162.7 | 118 | -80.7 | -66.7 | 172.9 | 0 | 0 | 125.3 | |||||
| 82 | A | 28.8 | Very low | 31.1 | Very low | 73 Ų | 73 | 136 Ų | 136 | 60% | 0.603 | 76% | 0.763 | S | S | * | * | trans | 82.3 | 86.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 83 | S | 27.9 | Very low | 31.3 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | 73 | 147.3 | 115.2 | 68.3 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 84 | E | 26.9 | Very low | 31.2 | Very low | 191 Ų | 191 | 136.6 Ų | 136.6 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | trans | 69 | 150 | 160.4 | -66.5 | -176.3 | 165.9 | 0 | 0 | 119.3 | ||||
| 85 | D | 28.3 | Very low | 31.5 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | cis | -167.4 | 169.7 | -22.9 | 175.2 | 46.8 | 0 | 0 | 0 | 109.5 | ||||
| 86 | K | 33.8 | Very low | 31.5 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | trans | 100.3 | 116.8 | 175.7 | -59.4 | 152.3 | -173.3 | 161.4 | 0 | 113.3 | ||||
| 87 | A | 31.2 | Very low | 31.6 | Very low | 71 Ų | 71 | 140.2 Ų | 140.2 | 59% | 0.587 | 75% | 0.754 | S | S | * | * | cis | 69.1 | 140.9 | 45 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 88 | Y | 28.1 | Very low | 30.6 | Very low | 215 Ų | 215 | 142.5 Ų | 142.5 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | cis | -144.4 | -179.6 | 9.2 | -42.4 | -109.7 | 0 | 0 | 0 | 108.7 | ||||
| 89 | K | 28.3 | Very low | 31.7 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | cis | -156.1 | 155 | 0.5 | -159 | -162.8 | 169.8 | -82.2 | 0 | 109.3 | ||||
| 90 | E | 29.2 | Very low | 32.9 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | trans | -90.5 | 174.8 | 164.4 | -159.5 | -157.1 | 85.1 | 0 | 0 | 111.9 | E92 | E90-E92 PolarHBondContact OE1-N 2.96Š| ||
| 91 | P | 41.1 | Very low | 33.7 | Very low | 84 Ų | 84 | 135.4 Ų | 135.4 | 55% | 0.545 | 73% | 0.734 | S | S | . | * | -151.7 | 146.1 | 114.5 | 34.8 | -16.8 | 0 | 0 | 0 | 118.9 | |||||
| 92 | E | 29 | Very low | 33.9 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | trans | 74.4 | 141.4 | 142.5 | -65.6 | 171.9 | 90.4 | 0 | 0 | 118 | E90 | E90-E92 PolarHBondContact OE1-N 2.96Š| ||
| 93 | L | 33.2 | Very low | 34.4 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | cis | -167 | 170.6 | -5.1 | -110.7 | 172.7 | 0 | 0 | 0 | 107.4 | ||||
| 94 | A | 27.1 | Very low | 34.4 | Very low | 86 Ų | 86 | 138.6 Ų | 138.6 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | cis | -154.3 | 172.9 | 5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 95 | D | 31.7 | Very low | 34.4 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | trans | -147.8 | 153.1 | 169.2 | -148.8 | -6.9 | 0 | 0 | 0 | 109.8 | ||||
| 96 | P | 48.2 | Very low | 34.3 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | -151.4 | -173.6 | 103.7 | 43.3 | -25.1 | 0 | 0 | 0 | 113.7 | |||||
| 97 | D | 27.1 | Very low | 34 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | cis | -160 | -178.9 | 24.2 | -147.1 | -40.5 | 0 | 0 | 0 | 111.6 | ||||
| 98 | E | 26.8 | Very low | 33.8 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -120.2 | -138.2 | -163.5 | -154.1 | -163.4 | 80.7 | 0 | 0 | 117.1 | ||||
| 99 | P | 52.4 | Low | 34.3 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 62% | 0.623 | 75% | 0.75 | S | S | * | * | trans | -116.7 | -147.6 | -139.6 | 45.8 | -27.4 | 0 | 0 | 0 | 113.6 | ||||
| 100 | P | 55.3 | Low | 34.4 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | cis | -126.6 | -139 | -9.8 | 35.2 | -9.5 | 0 | 0 | 0 | 111.2 | ||||
| 101 | P | 44.9 | Very low | 35.1 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | cis | -138.4 | -162.1 | -10.7 | 44.6 | -23.5 | 0 | 0 | 0 | 116.8 | ||||
| 102 | E | 31.5 | Very low | 34.5 | Very low | 174 Ų | 174 | 131 Ų | 131 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | -87.7 | 179.1 | 171.9 | -35.4 | -177.5 | 149.3 | 0 | 0 | 113.7 | ||||
| 103 | P | 40 | Very low | 34.5 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | -159 | -176.8 | 64.5 | 44.1 | -20.5 | 0 | 0 | 0 | 120.4 | |||||
| 104 | V | 28.1 | Very low | 34.1 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -25.2 | 153.7 | 174.3 | -80 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 105 | M | 26.6 | Very low | 34.1 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | 177.1 | 136.5 | 126.1 | -87.7 | -83.4 | 94.4 | 0 | 0 | 111.6 | |||||
| 106 | L | 27.7 | Very low | 33.8 | Very low | 152 Ų | 152 | 127.1 Ų | 127.1 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | 53.8 | 140.3 | 100.3 | -110.5 | 70.4 | 0 | 0 | 0 | 116.8 | |||||
| 107 | A | 27.6 | Very low | 33 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | cis | -160 | 178.4 | 8.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 108 | E | 26.3 | Very low | 32.9 | Very low | 184 Ų | 184 | 130.1 Ų | 130.1 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -62.8 | 160.9 | 164.5 | -174.5 | -179.2 | 137.3 | 0 | 0 | 112.2 | ||||
| 109 | P | 39.2 | Very low | 33 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | cis | -139.1 | -179.8 | 32 | 31.9 | -6.6 | 0 | 0 | 0 | 119.8 | ||||
| 110 | A | 30.1 | Very low | 32.6 | Very low | 88 Ų | 88 | 126.8 Ų | 126.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -82.5 | -161.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 111 | P | 43 | Very low | 31.4 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | cis | -148.7 | -179.1 | 24.4 | 46.8 | -26 | 0 | 0 | 0 | 118.9 | ||||
| 112 | V | 29.7 | Very low | 31.8 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | 59 | 161.6 | 164.2 | -49.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 113 | A | 28.1 | Very low | 31.7 | Very low | 93 Ų | 93 | 125.6 Ų | 125.6 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | cis | -145 | 170.9 | 7.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 114 | T | 24.1 | Very low | 31.3 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -66.3 | 160.5 | -171.5 | 50.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 115 | V | 27.8 | Very low | 32.4 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | trans | 86.5 | 132.5 | 151.7 | -137.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 116 | T | 25.4 | Very low | 32.4 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | trans | 106.1 | 116.3 | 136 | -0.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 117 | L | 30.3 | Very low | 32.8 | Very low | 141 Ų | 141 | 130.8 Ų | 130.8 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 51.2 | 134.4 | 145.3 | -103.5 | 77.6 | 0 | 0 | 0 | 124.9 | ||||
| 118 | E | 26.7 | Very low | 33.5 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | 55.1 | 146 | 143.7 | -73.5 | -170.5 | 132.8 | 0 | 0 | 123.4 | ||||
| 119 | G | 28.3 | Very low | 33.9 | Very low | 72 Ų | 72 | 128.9 Ų | 128.9 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | 126.4 | 113.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 120 | P | 44.4 | Very low | 34 | Very low | 128 Ų | 128 | 129 Ų | 129 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | trans | -105.6 | -173 | 179.5 | 40.5 | -35.2 | 0 | 0 | 0 | 114.7 | ||||
| 121 | E | 28.9 | Very low | 33.9 | Very low | 187 Ų | 187 | 128.5 Ų | 128.5 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | 90.7 | 152.4 | 170.3 | -77.1 | -132.7 | 87.5 | 0 | 0 | 119.6 | ||||
| 122 | P | 53.1 | Low | 33.8 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -133.3 | 176.8 | -140.8 | 44.6 | -30.2 | 0 | 0 | 0 | 116.6 | ||||
| 123 | A | 29.6 | Very low | 34.3 | Very low | 87 Ų | 87 | 130 Ų | 130 | 72% | 0.719 | 77% | 0.773 | S | S | * | * | trans | -173.6 | 128.1 | 145 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 124 | Y | 33 | Very low | 34.4 | Very low | 227 Ų | 227 | 129 Ų | 129 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | trans | 69.1 | 160.5 | 141 | -83.7 | -107.5 | 0 | 0 | 0 | 121.4 | ||||
| 125 | P | 49.6 | Very low | 34.8 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -138.7 | -176.5 | -138.8 | 46.9 | -31.4 | 0 | 0 | 0 | 118.4 | ||||
| 126 | G | 28.1 | Very low | 35.2 | Very low | 67 Ų | 67 | 131.2 Ų | 131.2 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | 103.3 | 151.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 127 | Y | 35.7 | Very low | 35.5 | Very low | 237 Ų | 237 | 129.2 Ų | 129.2 | 93% | 0.929 | 78% | 0.776 | S | S | * | * | cis | -137.5 | -178.1 | 3.2 | -112.8 | -107.3 | 0 | 0 | 0 | 109.5 | ||||
| 128 | P | 42.8 | Very low | 35.6 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | trans | -118.4 | 178.3 | -149.8 | 44.6 | -38.7 | 0 | 0 | 0 | 118.4 | ||||
| 129 | D | 33.5 | Very low | 36.3 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 67.8 | 168 | 152 | -117.3 | 28.8 | 0 | 0 | 0 | 118.2 | ||||
| 130 | P | 42.6 | Very low | 36.7 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | cis | -122.5 | 150 | -1.9 | 38.7 | -23.9 | 0 | 0 | 0 | 116.8 | ||||
| 131 | G | 28.1 | Very low | 37 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -165.1 | 49.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 132 | Q | 39.4 | Very low | 37.9 | Very low | 164 Ų | 164 | 121.9 Ų | 121.9 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | -67.4 | 171.5 | -178.6 | -90.4 | -166.1 | -15.2 | 0 | 0 | 114.7 | ||||
| 133 | P | 40.5 | Very low | 37.9 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | cis | -126.2 | 163.4 | 2.7 | 36.6 | -20.9 | 0 | 0 | 0 | 115.5 | ||||
| 134 | G | 30.8 | Very low | 39.1 | Very low | 73 Ų | 73 | 124.3 Ų | 124.3 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | trans | 170.9 | 51.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 135 | H | 32.7 | Very low | 40.8 | Very low | 167 Ų | 167 | 117.8 Ų | 117.8 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | -21 | 140.8 | 157.8 | -65 | -92.4 | 0 | 0 | 0 | 116.5 | ||||
| 136 | T | 34.9 | Very low | 41.9 | Very low | 129 Ų | 129 | 117.7 Ų | 117.7 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | cis | -149.8 | 159.8 | 0.4 | 43.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 137 | G | 33 | Very low | 44.5 | Very low | 74 Ų | 74 | 117 Ų | 117 | 76% | 0.763 | 70% | 0.702 | S | S | * | * | cis | 100.2 | 75 | 27 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 138 | S | 32.1 | Very low | 46.9 | Very low | 103 Ų | 103 | 107 Ų | 107 | 72% | 0.72 | 67% | 0.671 | S | S | * | * | trans | -154.7 | 66.9 | 173.3 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 139 | D | 41.2 | Very low | 49.2 | Very low | 173 Ų | 173 | 106.5 Ų | 106.5 | 93% | 0.925 | 66% | 0.663 | S | S | * | * | trans | -67 | 123.2 | 149 | -100.1 | -51.3 | 0 | 0 | 0 | 107.8 | ||||
| 140 | S | 36.7 | Very low | 52 | Low | 82 Ų | 82 | 106.2 Ų | 106.2 | 57% | 0.573 | 65% | 0.651 | S | S | * | * | trans | -138.6 | 109.9 | -177.1 | 67.7 | 0 | 0 | 0 | 0 | 112.3 | P142 | S140-P142 WeakPolarHBondContact O-CD 3.48Š| ||
| 141 | P | 51.2 | Low | 54.4 | Low | 126 Ų | 126 | 105.4 Ų | 105.4 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | trans | -107.9 | 64.9 | 167.9 | 38 | -30.9 | 0 | 0 | 0 | 113.6 | ||||
| 142 | P | 48.3 | Very low | 57.5 | Low | 77 Ų | 77 | 105.4 Ų | 105.4 | 50% | 0.5 | 62% | 0.619 | S | S | . | * | trans | -84.4 | -23.7 | 166 | 35.3 | -33.9 | 0 | 0 | 0 | 112.8 | S140 N144 S145 Q146 | S140-P142 WeakPolarHBondContact O-CD 3.48Å; P142-N144 PolarHBondContact O-N 3.1Å; P142-S145 PolarHBondContact O-N 3.39Å; P142-S145 VanDerWaalsContact O-N 3.11Å; P142-Q146 PolarHBondContact O-N 2.68Å | ||
| 143 | D | 52 | Low | 60.2 | Low | 118 Ų | 118 | 97.7 Ų | 97.7 | 63% | 0.631 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 48.1 | -165.1 | -141.9 | 58.3 | 0 | 0 | 0 | 113.5 | E147 | D143-E147 VanDerWaalsContact CA-OE2 3.32Å; D143-E147 WeakPolarHBondContact CA-OE2 3.34Å |
| 144 | N | 54.7 | Low | 62.8 | Low | 129 Ų | 129 | 95.9 Ų | 95.9 | 69% | 0.69 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.8 | -34.7 | 175.1 | -161 | -17.8 | 0 | 0 | 0 | 109.9 | P142 E147 G148 | P142-N144 PolarHBondContact O-N 3.1Å; N144-E147 PolarHBondContact N-OE2 3.34Å; N144-G148 PolarHBondContact O-N 2.78Å |
| 145 | S | 68.8 | Low | 65.8 | Low | 90 Ų | 90 | 97.1 Ų | 97.1 | 63% | 0.629 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70 | -40 | 170.4 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | P142 L149 | P142-S145 PolarHBondContact O-N 3.39Å; P142-S145 VanDerWaalsContact O-N 3.11Å; S145-L149 WeakPolarHBondContact O-CG 3.49Å; S145-L149 PolarHBondContact O-N 3.31Å |
| 146 | Q | 73.7 | Confident | 68.7 | Low | 116 Ų | 116 | 90.5 Ų | 90.5 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 175 | -178.5 | 176.7 | -87.1 | 0 | 0 | 111.4 | P142 L149 R150 | P142-Q146 PolarHBondContact O-N 2.68Å; Q146-L149 WeakPolarHBondContact O-CB 3.27Å; Q146-L149 PolarHBondContact O-N 2.64Å; Q146-R150 WeakPolarHBondContact O-CB 3.47Å; Q146-R150 PolarHBondContact O-N 2.9Å |
| 147 | E | 81.7 | Confident | 71.5 | Confident | 53 Ų | 53 | 84.4 Ų | 84.4 | 25% | 0.248 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -68.4 | -40.7 | 179.6 | -76.6 | 42.8 | -106.4 | 0 | 0 | 110.5 | D143 N144 L149 R150 E151 | D143-E147 VanDerWaalsContact CA-OE2 3.32Å; D143-E147 WeakPolarHBondContact CA-OE2 3.34Å; N144-E147 PolarHBondContact N-OE2 3.34Å; E147-L149 PolarHBondContact O-N 2.91Å; E147-R150 PolarHBondContact O-N 2.75Å; E147-E151 WeakPolarHBondContact O-CB 3.22Å; E147-E151 PolarHBondContact O-N 2.97Å |
| 148 | G | 87.3 | Confident | 74.3 | Confident | 28 Ų | 28 | 83.4 Ų | 83.4 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N144 N152 | N144-G148 PolarHBondContact O-N 2.78Å; G148-N152 WeakPolarHBondContact O-CB 3.48Å; G148-N152 PolarHBondContact O-N 2.8Å; G148-N152 PolarHBondContact O-ND2 2.89Å; G148-N152 VanDerWaalsContact O-ND2 3.07Å |
| 149 | L | 90 | Very high | 77.1 | Confident | 92 Ų | 92 | 84.5 Ų | 84.5 | 48% | 0.482 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 173.3 | -73.3 | 169 | 0 | 0 | 0 | 111.7 | S145 Q146 E147 E151 N152 L153 | S145-L149 WeakPolarHBondContact O-CG 3.49Å; S145-L149 PolarHBondContact O-N 3.31Å; Q146-L149 WeakPolarHBondContact O-CB 3.27Å; Q146-L149 PolarHBondContact O-N 2.64Å; E147-L149 PolarHBondContact O-N 2.91Å; L149-E151 VanDerWaalsContact C-N 3.35Å; L149-E151 PolarHBondContact O-N 2.89Å; L149-N152 PolarHBondContact O-N 3.44Å; L149-L153 VanDerWaalsContact O-CB 3.31Å; L149-L153 WeakPolarHBondContact O-CB 3.45Å; L149-L153 PolarHBondContact O-N 3.09Å |
| 150 | R | 91.6 | Very high | 79.4 | Confident | 125 Ų | 125 | 76.7 Ų | 76.7 | 47% | 0.472 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 177 | -168.9 | 179.9 | -173.2 | 178.4 | 3.4 | 111.7 | Q146 E147 K154 L202 I206 | Q146-R150 WeakPolarHBondContact O-CB 3.47Å; Q146-R150 PolarHBondContact O-N 2.9Å; E147-R150 PolarHBondContact O-N 2.75Å; R150-K154 VanDerWaalsContact O-CB 3.27Å; R150-K154 WeakPolarHBondContact O-CB 3.31Å; R150-K154 PolarHBondContact O-N 2.89Å; R150-L202 HydrophobicContact CG-CD1 4.48Å; R150-I206 HydrophobicContact CG-CD1 3.86Å; R150-I206 HydrophobicContact CG-CG1 4.12Å |
| 151 | E | 93.6 | Very high | 81.9 | Confident | 105 Ų | 105 | 73 Ų | 73 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 173.2 | -87.1 | -160.3 | -159.3 | 0 | 0 | 112.9 | E147 L149 L153 K154 K155 | E147-E151 WeakPolarHBondContact O-CB 3.22Å; E147-E151 PolarHBondContact O-N 2.97Å; L149-E151 VanDerWaalsContact C-N 3.35Å; L149-E151 PolarHBondContact O-N 2.89Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-K154 WeakPolarHBondContact O-CB 3.2Å; E151-K154 PolarHBondContact O-N 2.91Å; E151-K155 WeakPolarHBondContact O-CB 3.41Å; E151-K155 WeakPolarHBondContact O-CD 3.34Å; E151-K155 WeakPolarHBondContact O-CG 3.32Å; E151-K155 PolarHBondContact O-N 3.13Å; E151-K155 WeakPolarHBondContact OE2-CE 3.26Å; E151-K155 IonicContact OE2-NZ 3.35Å; E151-K155 PolarHBondContact OE2-NZ 3.24Å |
| 152 | N | 93.9 | Very high | 83.6 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 41% | 0.406 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.7 | -38.3 | 178.8 | -71.7 | -27.2 | 0 | 0 | 0 | 111.2 | G148 L149 T156 L196 | G148-N152 WeakPolarHBondContact O-CB 3.48Å; G148-N152 PolarHBondContact O-N 2.8Å; G148-N152 PolarHBondContact O-ND2 2.89Å; G148-N152 VanDerWaalsContact O-ND2 3.07Å; L149-N152 PolarHBondContact O-N 3.44Å; N152-T156 WeakPolarHBondContact O-CB 3.48Å; N152-T156 PolarHBondContact O-N 3.24Å; N152-T156 PolarHBondContact O-OG1 3.34Å; N152-L196 HydrophobicContact CB-CD1 4.32Å; N152-L196 HydrophobicContact CB-CD2 4.36Å |
| 153 | L | 95 | Very high | 85.2 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 171.8 | 179.1 | 53.9 | 0 | 0 | 0 | 111 | L149 E151 T156 L157 V193 L196 S197 L202 I203 I206 | L149-L153 VanDerWaalsContact O-CB 3.31Å; L149-L153 WeakPolarHBondContact O-CB 3.45Å; L149-L153 PolarHBondContact O-N 3.09Å; E151-L153 VanDerWaalsContact C-N 3.34Å; L153-T156 PolarHBondContact O-N 2.97Å; L153-L157 HydrophobicContact CD1-CD1 3.86Å; L153-L157 HydrophobicContact CD1-CG 4.09Å; L153-L157 HydrophobicContact CG-CD1 3.95Å; L153-L157 WeakPolarHBondContact O-CB 3.47Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.11Å; L153-L157 PolarHBondContact O-N 2.66Å; L153-V193 HydrophobicContact CD1-CG1 3.83Å; L153-L196 HydrophobicContact CB-CB 4.28Å; L153-L196 HydrophobicContact CD1-CB 4.24Å; L153-S197 VanDerWaalsContact CD2-CB 3.49Å; L153-L202 HydrophobicContact CD2-CD2 4.2Å; L153-L202 HydrophobicContact CD2-CG 4.25Å; L153-I203 HydrophobicContact CD1-CG1 4.32Å; L153-I203 HydrophobicContact CD2-CG1 4.16Å; L153-I206 HydrophobicContact CB-CD1 4.14Å; L153-I206 HydrophobicContact CD2-CD1 3.46Å; L153-I206 VanDerWaalsContact CD2-CD1 3.46Å; L153-I206 HydrophobicContact CG-CD1 3.69Å |
| 154 | K | 94.7 | Very high | 86.7 | Confident | 75 Ų | 75 | 69.5 Ų | 69.5 | 33% | 0.326 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -53.6 | -55.3 | 172.9 | -174.6 | -172.3 | 166.5 | 170 | 0 | 111.8 | R150 E151 T156 L157 E158 I206 L210 | R150-K154 VanDerWaalsContact O-CB 3.27Å; R150-K154 WeakPolarHBondContact O-CB 3.31Å; R150-K154 PolarHBondContact O-N 2.89Å; E151-K154 WeakPolarHBondContact O-CB 3.2Å; E151-K154 PolarHBondContact O-N 2.91Å; K154-T156 VanDerWaalsContact C-N 3.26Å; K154-T156 PolarHBondContact O-N 3.19Å; K154-L157 PolarHBondContact O-N 2.84Å; K154-E158 WeakPolarHBondContact CE-OE1 3.45Å; K154-E158 IonicContact NZ-OE1 2.65Å; K154-E158 WeakPolarHBondContact O-CB 3.26Å; K154-E158 WeakPolarHBondContact O-CG 3.34Å; K154-E158 PolarHBondContact O-N 2.93Å; K154-I206 HydrophobicContact CB-CG2 3.83Å; K154-I206 HydrophobicContact CG-CG2 4.08Å; K154-L210 HydrophobicContact CD-CD2 4.18Å; K154-L210 HydrophobicContact CG-CD2 3.52Å |
| 155 | K | 93.9 | Very high | 88.3 | Confident | 100 Ų | 100 | 64.6 Ų | 64.6 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60 | -35.4 | 179.4 | -67.9 | 158.7 | -165.4 | 164.9 | 0 | 112.3 | E151 F159 | E151-K155 WeakPolarHBondContact O-CB 3.41Å; E151-K155 WeakPolarHBondContact O-CD 3.34Å; E151-K155 WeakPolarHBondContact O-CG 3.32Å; E151-K155 PolarHBondContact O-N 3.13Å; E151-K155 WeakPolarHBondContact OE2-CE 3.26Å; E151-K155 IonicContact OE2-NZ 3.35Å; E151-K155 PolarHBondContact OE2-NZ 3.24Å; K155-F159 WeakPolarHBondContact O-CB 3.34Å; K155-F159 PolarHBondContact O-N 3.47Å |
| 156 | T | 93.9 | Very high | 89.1 | Confident | 28 Ų | 28 | 60.3 Ų | 60.3 | 17% | 0.172 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.3 | -42.7 | 176.9 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | N152 L153 K154 F159 C160 H192 V193 L196 | N152-T156 WeakPolarHBondContact O-CB 3.48Å; N152-T156 PolarHBondContact O-N 3.24Å; N152-T156 PolarHBondContact O-OG1 3.34Å; L153-T156 PolarHBondContact O-N 2.97Å; K154-T156 VanDerWaalsContact C-N 3.26Å; K154-T156 PolarHBondContact O-N 3.19Å; T156-F159 PolarHBondContact O-N 3.08Å; T156-C160 WeakPolarHBondContact O-CB 3.37Å; T156-C160 PolarHBondContact O-N 2.84Å; T156-C160 PolarHBondContact O-SG 3.48Å; T156-C160 VanDerWaalsContact O-SG 3.37Å; T156-H192 HydrophobicContact CG2-CB 3.73Å; T156-V193 HydrophobicContact CG2-CG2 3.98Å; T156-L196 HydrophobicContact CG2-CD1 4.37Å; T156-L196 VanDerWaalsContact OG1-CD1 3.26Å; T156-L196 WeakPolarHBondContact OG1-CD1 3.31Å |
| 157 | L | 93.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.6 | -41.2 | 176 | -67.7 | 166.2 | 0 | 0 | 0 | 111.7 | L153 K154 F159 C160 L161 V187 V193 I203 I206 L207 L210 | L153-L157 HydrophobicContact CD1-CD1 3.86Å; L153-L157 HydrophobicContact CD1-CG 4.09Å; L153-L157 HydrophobicContact CG-CD1 3.95Å; L153-L157 WeakPolarHBondContact O-CB 3.47Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.11Å; L153-L157 PolarHBondContact O-N 2.66Å; K154-L157 PolarHBondContact O-N 2.84Å; L157-F159 VanDerWaalsContact C-N 3.33Å; L157-F159 PolarHBondContact O-N 3.22Å; L157-C160 PolarHBondContact O-N 3.08Å; L157-L161 WeakPolarHBondContact O-CB 3.33Å; L157-L161 PolarHBondContact O-N 3.44Å; L157-V187 HydrophobicContact CD2-CG1 3.55Å; L157-V193 HydrophobicContact CD2-CG1 3.94Å; L157-V193 HydrophobicContact CD2-CG2 3.81Å; L157-I203 HydrophobicContact CD1-CG2 4.29Å; L157-I203 HydrophobicContact CD2-CG2 4.33Å; L157-I206 HydrophobicContact CD1-CB 4.27Å; L157-I206 HydrophobicContact CD1-CG2 3.79Å; L157-L207 HydrophobicContact CB-CD2 4Å; L157-L207 HydrophobicContact CD1-CD2 4.16Å; L157-L207 HydrophobicContact CD1-CG 4.22Å; L157-L207 HydrophobicContact CD2-CD2 4.16Å; L157-L207 HydrophobicContact CG-CD2 4.33Å; L157-L210 HydrophobicContact CB-CD1 4.16Å |
| 158 | E | 91.8 | Very high | 89.8 | Confident | 54 Ų | 54 | 57.4 Ų | 57.4 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.4 | -44 | 171 | -74.7 | 173.5 | 162.8 | 0 | 0 | 111.7 | K154 S162 L210 | K154-E158 WeakPolarHBondContact CE-OE1 3.45Å; K154-E158 IonicContact NZ-OE1 2.65Å; K154-E158 WeakPolarHBondContact O-CB 3.26Å; K154-E158 WeakPolarHBondContact O-CG 3.34Å; K154-E158 PolarHBondContact O-N 2.93Å; E158-S162 WeakPolarHBondContact O-CA 3.41Å; E158-S162 WeakPolarHBondContact O-CB 3.24Å; E158-S162 PolarHBondContact O-N 3.16Å; E158-L210 HydrophobicContact CG-CD1 3.78Å; E158-L210 HydrophobicContact CG-CD2 3.48Å; E158-L210 VanDerWaalsContact CG-CD2 3.48Å; E158-L210 HydrophobicContact CG-CG 4.24Å; E158-L210 VanDerWaalsContact OE1-CD2 3.31Å; E158-L210 WeakPolarHBondContact OE1-CD2 3.11Å |
| 159 | F | 91.8 | Very high | 89.9 | Confident | 125 Ų | 125 | 57.8 Ų | 57.8 | 55% | 0.548 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.2 | -52.4 | 176.4 | 177.3 | -95.5 | 0 | 0 | 0 | 112.2 | K155 T156 L157 L161 S162 N165 | K155-F159 WeakPolarHBondContact O-CB 3.34Å; K155-F159 PolarHBondContact O-N 3.47Å; T156-F159 PolarHBondContact O-N 3.08Å; L157-F159 VanDerWaalsContact C-N 3.33Å; L157-F159 PolarHBondContact O-N 3.22Å; F159-L161 VanDerWaalsContact C-N 3.31Å; F159-L161 PolarHBondContact O-N 3.05Å; F159-S162 VanDerWaalsContact O-CB 3.26Å; F159-S162 WeakPolarHBondContact O-CB 3.45Å; F159-S162 PolarHBondContact O-N 2.8Å; F159-S162 VanDerWaalsContact O-N 3.15Å; F159-S162 PolarHBondContact O-OG 2.98Å; F159-N165 WeakPolarHBondContact O-CB 3.33Å |
| 160 | C | 89.8 | Confident | 90 | Very high | 9 Ų | 9 | 59.4 Ų | 59.4 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.1 | -36.3 | -176.9 | -72.7 | 0 | 0 | 0 | 0 | 112.9 | T156 L157 N165 L172 L190 | T156-C160 WeakPolarHBondContact O-CB 3.37Å; T156-C160 PolarHBondContact O-N 2.84Å; T156-C160 PolarHBondContact O-SG 3.48Å; T156-C160 VanDerWaalsContact O-SG 3.37Å; L157-C160 PolarHBondContact O-N 3.08Å; C160-N165 PolarHBondContact O-ND2 2.84Å; C160-L172 WeakPolarHBondContact O-CD1 3.11Å; C160-L190 HydrophobicContact CB-CD1 3.93Å |
| 161 | L | 88.6 | Confident | 90.1 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 8 | 178.8 | -57.9 | 175.6 | 0 | 0 | 0 | 113.3 | L157 F159 V187 L207 V213 V222 | L157-L161 WeakPolarHBondContact O-CB 3.33Å; L157-L161 PolarHBondContact O-N 3.44Å; F159-L161 VanDerWaalsContact C-N 3.31Å; F159-L161 PolarHBondContact O-N 3.05Å; L161-V187 HydrophobicContact CD1-CG1 4.48Å; L161-V187 HydrophobicContact CD2-CG2 4.12Å; L161-L207 HydrophobicContact CD1-CD2 3.51Å; L161-V213 HydrophobicContact CB-CG1 3.72Å; L161-V213 HydrophobicContact CD1-CG1 3.88Å; L161-V213 HydrophobicContact CG-CG1 4.43Å; L161-V222 HydrophobicContact CD1-CG1 3.84Å; L161-V222 HydrophobicContact CD1-CG2 3.97Å; L161-V222 HydrophobicContact CD2-CG1 4.42Å |
| 162 | S | 86.9 | Confident | 90 | Very high | 12 Ų | 12 | 53.9 Ų | 53.9 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -59.5 | 153 | 173.8 | 66.9 | 0 | 0 | 0 | 0 | 111.5 | E158 F159 E164 N165 L166 | E158-S162 WeakPolarHBondContact O-CA 3.41Å; E158-S162 WeakPolarHBondContact O-CB 3.24Å; E158-S162 PolarHBondContact O-N 3.16Å; F159-S162 VanDerWaalsContact O-CB 3.26Å; F159-S162 WeakPolarHBondContact O-CB 3.45Å; F159-S162 PolarHBondContact O-N 2.8Å; F159-S162 VanDerWaalsContact O-N 3.15Å; F159-S162 PolarHBondContact O-OG 2.98Å; S162-E164 PolarHBondContact O-N 2.78Å; S162-N165 PolarHBondContact O-N 2.96Å; S162-N165 WeakPolarHBondContact OG-CB 3.23Å; S162-N165 PolarHBondContact OG-N 3.17Å; S162-L166 WeakPolarHBondContact O-CB 3.21Å; S162-L166 PolarHBondContact O-N 2.95Å |
| 163 | R | 81.6 | Confident | 89.9 | Confident | 104 Ų | 104 | 51.4 Ų | 51.4 | 39% | 0.392 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -29.3 | -179.2 | 171.3 | 171.5 | 176.4 | -72.3 | -0.4 | 112.4 | A167 A305 I306 | R163-A167 WeakPolarHBondContact O-CB 3.28Å; R163-A167 PolarHBondContact O-N 2.9Å; R163-A305 PolarHBondContact NE-O 2.85Å; R163-A305 PolarHBondContact NH2-O 2.85Å; R163-I306 HydrophobicContact CB-CG2 4.46Å; R163-I306 HydrophobicContact CG-CG2 3.95Å |
| 164 | E | 83.6 | Confident | 89.7 | Confident | 132 Ų | 132 | 55.3 Ų | 55.3 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -41.9 | 179.5 | 49.1 | -87.5 | -147.3 | 0 | 0 | 112.7 | S162 A167 S168 | S162-E164 PolarHBondContact O-N 2.78Å; E164-A167 PolarHBondContact O-N 3.06Å; E164-S168 PolarHBondContact O-N 2.9Å; E164-S168 PolarHBondContact O-OG 3.46Å |
| 165 | N | 87.4 | Confident | 89.6 | Confident | 26 Ų | 26 | 55.3 Ų | 55.3 | 14% | 0.139 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.3 | -51.8 | 171.2 | -169.1 | 74.7 | 0 | 0 | 0 | 109.9 | F159 C160 S162 A167 S168 D169 | F159-N165 WeakPolarHBondContact O-CB 3.33Å; C160-N165 PolarHBondContact O-ND2 2.84Å; S162-N165 PolarHBondContact O-N 2.96Å; S162-N165 WeakPolarHBondContact OG-CB 3.23Å; S162-N165 PolarHBondContact OG-N 3.17Å; N165-A167 PolarHBondContact O-N 3.25Å; N165-A167 VanDerWaalsContact O-N 3.07Å; N165-S168 CarbonylContact O-C 3.55Å; N165-S168 PolarHBondContact O-N 3.33Å; N165-S168 PolarHBondContact O-OG 2.98Å; N165-S168 VanDerWaalsContact O-OG 3.09Å; N165-D169 PolarHBondContact ND2-OD2 2.83Å; N165-D169 VanDerWaalsContact O-CB 3.23Å; N165-D169 WeakPolarHBondContact O-CB 3.43Å; N165-D169 PolarHBondContact O-N 3.29Å |
| 166 | L | 86.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.3 | -10.4 | -179.6 | -155.8 | 76.1 | 0 | 0 | 0 | 114.3 | S162 L172 I173 M176 P224 I308 | S162-L166 WeakPolarHBondContact O-CB 3.21Å; S162-L166 PolarHBondContact O-N 2.95Å; L166-L172 HydrophobicContact CD1-CB 3.45Å; L166-L172 VanDerWaalsContact CD1-CB 3.45Å; L166-L172 HydrophobicContact CD1-CD1 4.01Å; L166-L172 HydrophobicContact CD1-CG 4.36Å; L166-I173 WeakPolarHBondContact O-CD1 3.24Å; L166-I173 WeakPolarHBondContact O-CG1 3.28Å; L166-M176 HydrophobicContact CD1-SD 4.48Å; L166-M176 HydrophobicContact CD2-CE 3.65Å; L166-M176 HydrophobicContact CD2-SD 3.89Å; L166-M176 HydrophobicContact CG-SD 4.14Å; L166-P224 HydrophobicContact CD2-CG 3.25Å; L166-I308 HydrophobicContact CD2-CD1 4.29Å |
| 167 | A | 83 | Confident | 89.3 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 21% | 0.207 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -86 | -13.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R163 E164 N165 A307 | R163-A167 WeakPolarHBondContact O-CB 3.28Å; R163-A167 PolarHBondContact O-N 2.9Å; E164-A167 PolarHBondContact O-N 3.06Å; N165-A167 PolarHBondContact O-N 3.25Å; N165-A167 VanDerWaalsContact O-N 3.07Å; A167-A307 WeakPolarHBondContact CB-O 3.17Å |
| 168 | S | 86.5 | Confident | 88.9 | Confident | 82 Ų | 82 | 58.9 Ų | 58.9 | 57% | 0.573 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -121.6 | -26.8 | -175.3 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | E164 N165 M170 | E164-S168 PolarHBondContact O-N 2.9Å; E164-S168 PolarHBondContact O-OG 3.46Å; N165-S168 CarbonylContact O-C 3.55Å; N165-S168 PolarHBondContact O-N 3.33Å; N165-S168 PolarHBondContact O-OG 2.98Å; N165-S168 VanDerWaalsContact O-OG 3.09Å; S168-M170 PolarHBondContact O-N 2.94Å |
| 169 | D | 90.3 | Very high | 88.6 | Confident | 37 Ų | 37 | 61 Ų | 61 | 20% | 0.198 | 32% | 0.322 | C | S | . | . | trans | -72.7 | 91.1 | 178.8 | -170.1 | -32.6 | 0 | 0 | 0 | 110.9 | N165 Y171 L172 I173 | N165-D169 PolarHBondContact ND2-OD2 2.83Å; N165-D169 VanDerWaalsContact O-CB 3.23Å; N165-D169 WeakPolarHBondContact O-CB 3.43Å; N165-D169 PolarHBondContact O-N 3.29Å; D169-Y171 PolarHBondContact O-N 2.8Å; D169-Y171 WeakPolarHBondContact OD1-CB 3.49Å; D169-Y171 PolarHBondContact OD1-N 2.76Å; D169-L172 HydrophobicContact CB-CB 4.23Å; D169-L172 HydrophobicContact CB-CD1 4.45Å; D169-L172 PolarHBondContact O-N 3.11Å; D169-L172 PolarHBondContact OD1-N 3.5Å; D169-L172 WeakPolarHBondContact OD2-CD1 3.41Å; D169-L172 WeakPolarHBondContact OD2-CG 3.32Å; D169-I173 WeakPolarHBondContact O-CB 3.46Å; D169-I173 WeakPolarHBondContact O-CD1 3.5Å; D169-I173 WeakPolarHBondContact O-CG1 3.27Å; D169-I173 PolarHBondContact O-N 2.8Å | ||
| 170 | M | 91.4 | Very high | 88.4 | Confident | 126 Ų | 126 | 57.6 Ų | 57.6 | 62% | 0.621 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.2 | -27.9 | 179.2 | -66.4 | -118.5 | 66.2 | 0 | 0 | 113.1 | S168 S174 | S168-M170 PolarHBondContact O-N 2.94Å; M170-S174 VanDerWaalsContact O-CB 3.3Å; M170-S174 WeakPolarHBondContact O-CB 3.1Å; M170-S174 PolarHBondContact O-N 2.83Å; M170-S174 VanDerWaalsContact O-N 3.08Å; M170-S174 PolarHBondContact O-OG 3.14Å |
| 171 | Y | 93.6 | Very high | 88.5 | Confident | 114 Ų | 114 | 58.6 Ų | 58.6 | 45% | 0.447 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.8 | -56 | 177.7 | 174 | -106.4 | 0 | 0 | 0 | 110.1 | D169 I173 S174 Q175 T186 L190 | D169-Y171 PolarHBondContact O-N 2.8Å; D169-Y171 WeakPolarHBondContact OD1-CB 3.49Å; D169-Y171 PolarHBondContact OD1-N 2.76Å; Y171-I173 VanDerWaalsContact C-N 3.31Å; Y171-I173 PolarHBondContact O-N 3.19Å; Y171-S174 PolarHBondContact O-N 3.05Å; Y171-S174 PolarHBondContact O-OG 3.28Å; Y171-Q175 HydrophobicContact CD2-CG 4.37Å; Y171-Q175 HydrophobicContact CE1-CG 4.4Å; Y171-Q175 HydrophobicContact CE2-CG 4.05Å; Y171-Q175 VanDerWaalsContact O-CG 3.25Å; Y171-Q175 WeakPolarHBondContact O-CG 3.38Å; Y171-Q175 PolarHBondContact O-N 3.08Å; Y171-Q175 PolarHBondContact OH-NE2 3.28Å; Y171-T186 HydrophobicContact CE1-CG2 3.66Å; Y171-L190 HydrophobicContact CD1-CD2 4.12Å; Y171-L190 HydrophobicContact CE1-CD2 4.05Å |
| 172 | L | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 178.9 | -69.4 | 178.7 | 0 | 0 | 0 | 111.9 | C160 L166 D169 S174 Q175 M176 V182 T186 L190 | C160-L172 WeakPolarHBondContact O-CD1 3.11Å; L166-L172 HydrophobicContact CD1-CB 3.45Å; L166-L172 VanDerWaalsContact CD1-CB 3.45Å; L166-L172 HydrophobicContact CD1-CD1 4.01Å; L166-L172 HydrophobicContact CD1-CG 4.36Å; D169-L172 HydrophobicContact CB-CB 4.23Å; D169-L172 HydrophobicContact CB-CD1 4.45Å; D169-L172 PolarHBondContact O-N 3.11Å; D169-L172 PolarHBondContact OD1-N 3.5Å; D169-L172 WeakPolarHBondContact OD2-CD1 3.41Å; D169-L172 WeakPolarHBondContact OD2-CG 3.32Å; L172-S174 VanDerWaalsContact C-N 3.33Å; L172-S174 PolarHBondContact O-N 3.25Å; L172-Q175 CarbonylContact O-C 3.28Å; L172-Q175 PolarHBondContact O-N 3.27Å; L172-Q175 VanDerWaalsContact O-N 3.13Å; L172-M176 VanDerWaalsContact O-CG 3.26Å; L172-M176 WeakPolarHBondContact O-CG 3.32Å; L172-M176 PolarHBondContact O-N 3.5Å; L172-V182 HydrophobicContact CD2-CG1 4.17Å; L172-T186 HydrophobicContact CD2-CG2 4.27Å; L172-L190 HydrophobicContact CD1-CD1 4.26Å; L172-L190 HydrophobicContact CD2-CD1 4.23Å; L172-L190 HydrophobicContact CD2-CD2 4.18Å |
| 173 | I | 90.8 | Very high | 89.2 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 12% | 0.118 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.1 | -43.5 | 173.1 | -66.6 | 164.9 | 0 | 0 | 0 | 111.5 | L166 D169 Y171 Q175 M176 I308 | L166-I173 WeakPolarHBondContact O-CD1 3.24Å; L166-I173 WeakPolarHBondContact O-CG1 3.28Å; D169-I173 WeakPolarHBondContact O-CB 3.46Å; D169-I173 WeakPolarHBondContact O-CD1 3.5Å; D169-I173 WeakPolarHBondContact O-CG1 3.27Å; D169-I173 PolarHBondContact O-N 2.8Å; Y171-I173 VanDerWaalsContact C-N 3.31Å; Y171-I173 PolarHBondContact O-N 3.19Å; I173-Q175 PolarHBondContact O-N 3.23Å; I173-M176 WeakPolarHBondContact O-CB 3.39Å; I173-M176 WeakPolarHBondContact O-CG 3.44Å; I173-M176 PolarHBondContact O-N 3.15Å; I173-I308 HydrophobicContact CD1-CG2 4.34Å; I173-I308 HydrophobicContact CG1-CG2 4.05Å; I173-I308 HydrophobicContact CG2-CG2 4.47Å |
| 174 | S | 90.8 | Very high | 89.8 | Confident | 85 Ų | 85 | 54.9 Ų | 54.9 | 59% | 0.594 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -67.6 | -19.5 | 179.8 | 72.4 | 0 | 0 | 0 | 0 | 113.8 | M170 Y171 L172 | M170-S174 VanDerWaalsContact O-CB 3.3Å; M170-S174 WeakPolarHBondContact O-CB 3.1Å; M170-S174 PolarHBondContact O-N 2.83Å; M170-S174 VanDerWaalsContact O-N 3.08Å; M170-S174 PolarHBondContact O-OG 3.14Å; Y171-S174 PolarHBondContact O-N 3.05Å; Y171-S174 PolarHBondContact O-OG 3.28Å; L172-S174 VanDerWaalsContact C-N 3.33Å; L172-S174 PolarHBondContact O-N 3.25Å |
| 175 | Q | 92.4 | Very high | 90.4 | Very high | 74 Ų | 74 | 53 Ų | 53 | 35% | 0.346 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 5.9 | -179.9 | -59.2 | -81.7 | 61.6 | 0 | 0 | 112.6 | Y171 L172 I173 V182 P183 T186 | Y171-Q175 HydrophobicContact CD2-CG 4.37Å; Y171-Q175 HydrophobicContact CE1-CG 4.4Å; Y171-Q175 HydrophobicContact CE2-CG 4.05Å; Y171-Q175 VanDerWaalsContact O-CG 3.25Å; Y171-Q175 WeakPolarHBondContact O-CG 3.38Å; Y171-Q175 PolarHBondContact O-N 3.08Å; Y171-Q175 PolarHBondContact OH-NE2 3.28Å; L172-Q175 CarbonylContact O-C 3.28Å; L172-Q175 PolarHBondContact O-N 3.27Å; L172-Q175 VanDerWaalsContact O-N 3.13Å; I173-Q175 PolarHBondContact O-N 3.23Å; Q175-V182 HydrophobicContact CB-CG1 4.42Å; Q175-P183 WeakPolarHBondContact O-CD 3.37Å; Q175-T186 HydrophobicContact CB-CG2 3.99Å; Q175-T186 HydrophobicContact CG-CG2 3.88Å |
| 176 | M | 91.3 | Very high | 90.7 | Very high | 35 Ų | 35 | 52.6 Ų | 52.6 | 17% | 0.172 | 30% | 0.295 | C | S | . | . | trans | -81.4 | 137 | 173.4 | -56.7 | -173.7 | 77 | 0 | 0 | 111.2 | L166 L172 I173 Q180 Y181 V182 I308 | L166-M176 HydrophobicContact CD1-SD 4.48Å; L166-M176 HydrophobicContact CD2-CE 3.65Å; L166-M176 HydrophobicContact CD2-SD 3.89Å; L166-M176 HydrophobicContact CG-SD 4.14Å; L172-M176 VanDerWaalsContact O-CG 3.26Å; L172-M176 WeakPolarHBondContact O-CG 3.32Å; L172-M176 PolarHBondContact O-N 3.5Å; I173-M176 WeakPolarHBondContact O-CB 3.39Å; I173-M176 WeakPolarHBondContact O-CG 3.44Å; I173-M176 PolarHBondContact O-N 3.15Å; M176-Q180 HydrophobicContact CE-CB 3.6Å; M176-Q180 HydrophobicContact CE-CG 4.11Å; M176-Q180 WeakPolarHBondContact CE-O 3.49Å; M176-Y181 WeakPolarHBondContact CA-O 3.41Å; M176-V182 HydrophobicContact CG-CG2 3.74Å; M176-I308 HydrophobicContact CE-CD1 3.59Å; M176-I308 HydrophobicContact SD-CD1 3.87Å; M176-I308 HydrophobicContact SD-CG2 4.36Å | ||
| 177 | D | 90.3 | Very high | 91 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | trans | -82.3 | -178 | 167.6 | 65.8 | 29.5 | 0 | 0 | 0 | 113.2 | D179 Q180 Y181 K221 | D177-D179 PolarHBondContact O-N 2.78Å; D177-D179 PolarHBondContact OD1-N 3.03Å; D177-D179 VanDerWaalsContact OD1-N 3.09Å; D177-Q180 PolarHBondContact O-N 3.12Å; D177-Q180 PolarHBondContact OD1-N 3.45Å; D177-Y181 PolarHBondContact N-O 2.94Å; D177-Y181 PolarHBondContact OD1-N 3.37Å; D177-K221 IonicContact OD2-NZ 2.64Å; D177-K221 PolarHBondContact OD2-NZ 3.44Å | ||
| 178 | S | 86.1 | Confident | 91.6 | Very high | 112 Ų | 112 | 51.9 Ų | 51.9 | 78% | 0.783 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28 | -178.4 | 44.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 179 | D | 84.9 | Confident | 92 | Very high | 99 Ų | 99 | 52 Ų | 52 | 53% | 0.529 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 16.6 | -174.3 | -61.1 | -67.8 | 0 | 0 | 0 | 112.2 | D177 Y181 R223 | D177-D179 PolarHBondContact O-N 2.78Å; D177-D179 PolarHBondContact OD1-N 3.03Å; D177-D179 VanDerWaalsContact OD1-N 3.09Å; D179-Y181 HydrophobicContact CB-CD2 4.08Å; D179-Y181 HydrophobicContact CB-CE2 4.31Å; D179-R223 PolarHBondContact O-NH1 2.94Å |
| 180 | Q | 88.4 | Confident | 92.1 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 68.1 | 21.6 | 177.1 | -62.4 | -173.3 | -19.8 | 0 | 0 | 115.5 | M176 D177 R223 I308 | M176-Q180 HydrophobicContact CE-CB 3.6Å; M176-Q180 HydrophobicContact CE-CG 4.11Å; M176-Q180 WeakPolarHBondContact CE-O 3.49Å; D177-Q180 PolarHBondContact O-N 3.12Å; D177-Q180 PolarHBondContact OD1-N 3.45Å; Q180-R223 WeakPolarHBondContact O-CB 3.46Å; Q180-I308 HydrophobicContact CG-CD1 4.48Å |
| 181 | Y | 92.3 | Very high | 92.2 | Very high | 30 Ų | 30 | 50.7 Ų | 50.7 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -87.5 | 136.9 | 172.5 | -69.3 | -92.1 | 0 | 0 | 0 | 112.3 | M176 D177 D179 D216 K221 V222 R223 | M176-Y181 WeakPolarHBondContact CA-O 3.41Å; D177-Y181 PolarHBondContact N-O 2.94Å; D177-Y181 PolarHBondContact OD1-N 3.37Å; D179-Y181 HydrophobicContact CB-CD2 4.08Å; D179-Y181 HydrophobicContact CB-CE2 4.31Å; Y181-D216 HydrophobicContact CE1-CB 4.08Å; Y181-K221 HydrophobicContact CD1-CB 3.82Å; Y181-K221 HydrophobicContact CG-CB 4.23Å; Y181-V222 WeakPolarHBondContact CA-O 3.42Å; Y181-R223 HydrophobicContact CD1-CB 3.79Å; Y181-R223 HydrophobicContact CD1-CG 3.88Å; Y181-R223 HydrophobicContact CD2-CB 4.49Å; Y181-R223 HydrophobicContact CE1-CB 4.15Å; Y181-R223 HydrophobicContact CE1-CG 3.69Å; Y181-R223 HydrophobicContact CE2-CG 4.37Å; Y181-R223 HydrophobicContact CG-CB 3.99Å; Y181-R223 HydrophobicContact CG-CG 4.32Å; Y181-R223 VanDerWaalsContact OH-CZ 3.22Å; Y181-R223 PolarHBondContact OH-NE 2.97Å; Y181-R223 PolarHBondContact OH-NH2 3.07Å |
| 182 | V | 94.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 137.3 | 164.4 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | L172 Q175 M176 I184 T186 V187 K221 V222 | L172-V182 HydrophobicContact CD2-CG1 4.17Å; Q175-V182 HydrophobicContact CB-CG1 4.42Å; M176-V182 HydrophobicContact CG-CG2 3.74Å; V182-I184 PolarHBondContact O-N 3.02Å; V182-T186 HydrophobicContact CG1-CG2 4.09Å; V182-V187 HydrophobicContact CB-CG2 4.48Å; V182-V187 HydrophobicContact CG1-CG2 3.91Å; V182-K221 WeakPolarHBondContact O-CA 3.32Å; V182-V222 PolarHBondContact N-O 2.81Å; V182-V222 PolarHBondContact O-N 3.49Å |
| 183 | P | 95.3 | Very high | 92.2 | Very high | 42 Ų | 42 | 50.9 Ų | 50.9 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 134.9 | 171.2 | -20.9 | 31.4 | 0 | 0 | 0 | 111.4 | Q175 V185 T186 V187 | Q175-P183 WeakPolarHBondContact O-CD 3.37Å; P183-V185 PolarHBondContact O-N 3.27Å; P183-T186 WeakPolarHBondContact O-CA 3.18Å; P183-T186 VanDerWaalsContact O-CB 3.23Å; P183-T186 WeakPolarHBondContact O-CB 3.41Å; P183-T186 PolarHBondContact O-N 3.39Å; P183-V187 PolarHBondContact O-N 3.05Å |
| 184 | I | 95 | Very high | 92.4 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.5 | -28.7 | 180 | -72.1 | 172.1 | 0 | 0 | 0 | 111.1 | V182 T186 V187 A188 V200 I203 V204 L207 V215 G219 E220 V222 | V182-I184 PolarHBondContact O-N 3.02Å; I184-T186 PolarHBondContact O-N 3.21Å; I184-V187 PolarHBondContact O-N 3.35Å; I184-V187 VanDerWaalsContact O-N 3.07Å; I184-A188 WeakPolarHBondContact O-CB 3.47Å; I184-A188 PolarHBondContact O-N 2.99Å; I184-V200 HydrophobicContact CG2-CG1 4.34Å; I184-I203 HydrophobicContact CG2-CG2 3.91Å; I184-V204 HydrophobicContact CD1-CG2 4.01Å; I184-V204 HydrophobicContact CG2-CG2 4.16Å; I184-L207 HydrophobicContact CD1-CD1 3.76Å; I184-L207 HydrophobicContact CG1-CD1 3.84Å; I184-L207 HydrophobicContact CG2-CD1 4.14Å; I184-V215 HydrophobicContact CD1-CG1 3.96Å; I184-G219 WeakPolarHBondContact CD1-O 3.3Å; I184-E220 PolarHBondContact N-O 3.25Å; I184-V222 HydrophobicContact CD1-CB 4.02Å; I184-V222 HydrophobicContact CD1-CG1 4.45Å; I184-V222 HydrophobicContact CG1-CB 3.81Å; I184-V222 HydrophobicContact CG1-CG1 3.71Å |
| 185 | V | 94.4 | Very high | 92.5 | Very high | 93 Ų | 93 | 57.4 Ų | 57.4 | 56% | 0.564 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -57 | -34.1 | 169.8 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | P183 N189 | P183-V185 PolarHBondContact O-N 3.27Å; V185-N189 WeakPolarHBondContact O-CB 3.08Å; V185-N189 PolarHBondContact O-N 2.88Å; V185-N189 PolarHBondContact O-ND2 3.42Å |
| 186 | T | 94.2 | Very high | 92.5 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.8 | -43 | 174.7 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | Y171 L172 Q175 V182 P183 I184 N189 L190 | Y171-T186 HydrophobicContact CE1-CG2 3.66Å; L172-T186 HydrophobicContact CD2-CG2 4.27Å; Q175-T186 HydrophobicContact CB-CG2 3.99Å; Q175-T186 HydrophobicContact CG-CG2 3.88Å; V182-T186 HydrophobicContact CG1-CG2 4.09Å; P183-T186 WeakPolarHBondContact O-CA 3.18Å; P183-T186 VanDerWaalsContact O-CB 3.23Å; P183-T186 WeakPolarHBondContact O-CB 3.41Å; P183-T186 PolarHBondContact O-N 3.39Å; I184-T186 PolarHBondContact O-N 3.21Å; T186-N189 PolarHBondContact O-N 3.27Å; T186-L190 PolarHBondContact O-N 3.1Å |
| 187 | V | 93.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.2 | -43.2 | 179.9 | -175.6 | 0 | 0 | 0 | 0 | 111.1 | L157 L161 V182 P183 I184 N189 L190 V193 V222 | L157-V187 HydrophobicContact CD2-CG1 3.55Å; L161-V187 HydrophobicContact CD1-CG1 4.48Å; L161-V187 HydrophobicContact CD2-CG2 4.12Å; V182-V187 HydrophobicContact CB-CG2 4.48Å; V182-V187 HydrophobicContact CG1-CG2 3.91Å; P183-V187 PolarHBondContact O-N 3.05Å; I184-V187 PolarHBondContact O-N 3.35Å; I184-V187 VanDerWaalsContact O-N 3.07Å; V187-N189 PolarHBondContact O-N 3.49Å; V187-L190 HydrophobicContact CG1-CD1 4.23Å; V187-L190 VanDerWaalsContact O-CB 3.31Å; V187-L190 WeakPolarHBondContact O-CB 3.4Å; V187-L190 WeakPolarHBondContact O-CG 3.37Å; V187-L190 PolarHBondContact O-N 3.25Å; V187-L190 VanDerWaalsContact O-N 3.12Å; V187-V193 HydrophobicContact CG1-CG2 4.46Å; V187-V193 WeakPolarHBondContact O-CB 3.44Å; V187-V193 WeakPolarHBondContact O-CG2 3.19Å; V187-V222 HydrophobicContact CG2-CG1 4.05Å |
| 188 | A | 94.7 | Very high | 92.8 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.7 | -27.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I184 K194 I203 | I184-A188 WeakPolarHBondContact O-CB 3.47Å; I184-A188 PolarHBondContact O-N 2.99Å; A188-K194 WeakPolarHBondContact O-CB 3.13Å; A188-I203 HydrophobicContact CB-CD1 3.71Å |
| 189 | N | 93.8 | Very high | 93.2 | Very high | 83 Ų | 83 | 56.6 Ų | 56.6 | 44% | 0.444 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -0.6 | 175.4 | -82 | -72.9 | 0 | 0 | 0 | 114.6 | V185 T186 V187 D191 K194 | V185-N189 WeakPolarHBondContact O-CB 3.08Å; V185-N189 PolarHBondContact O-N 2.88Å; V185-N189 PolarHBondContact O-ND2 3.42Å; T186-N189 PolarHBondContact O-N 3.27Å; V187-N189 PolarHBondContact O-N 3.49Å; N189-D191 PolarHBondContact O-N 3.29Å; N189-K194 PolarHBondContact OD1-NZ 2.89Å |
| 190 | L | 93.6 | Very high | 93.5 | Very high | 26 Ų | 26 | 54.9 Ų | 54.9 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -63.9 | 131.7 | 169.4 | -64.3 | 174 | 0 | 0 | 0 | 109.9 | C160 Y171 L172 T186 V187 H192 V193 K194 | C160-L190 HydrophobicContact CB-CD1 3.93Å; Y171-L190 HydrophobicContact CD1-CD2 4.12Å; Y171-L190 HydrophobicContact CE1-CD2 4.05Å; L172-L190 HydrophobicContact CD1-CD1 4.26Å; L172-L190 HydrophobicContact CD2-CD1 4.23Å; L172-L190 HydrophobicContact CD2-CD2 4.18Å; T186-L190 PolarHBondContact O-N 3.1Å; V187-L190 HydrophobicContact CG1-CD1 4.23Å; V187-L190 VanDerWaalsContact O-CB 3.31Å; V187-L190 WeakPolarHBondContact O-CB 3.4Å; V187-L190 WeakPolarHBondContact O-CG 3.37Å; V187-L190 PolarHBondContact O-N 3.25Å; V187-L190 VanDerWaalsContact O-N 3.12Å; L190-H192 PolarHBondContact O-N 3.17Å; L190-V193 HydrophobicContact CB-CB 4.31Å; L190-V193 HydrophobicContact CB-CG2 4.08Å; L190-V193 HydrophobicContact CD1-CG2 4.3Å; L190-V193 PolarHBondContact O-N 3.29Å; L190-K194 WeakPolarHBondContact O-CB 3.49Å; L190-K194 PolarHBondContact O-N 3.02Å |
| 191 | D | 93.6 | Very high | 93.7 | Very high | 110 Ų | 110 | 59.5 Ų | 59.5 | 59% | 0.588 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -48.5 | -34 | -178.1 | -91.3 | 6 | 0 | 0 | 0 | 114.7 | N189 K195 | N189-D191 PolarHBondContact O-N 3.29Å; D191-K195 WeakPolarHBondContact O-CB 3.41Å; D191-K195 WeakPolarHBondContact O-CD 3.36Å; D191-K195 WeakPolarHBondContact O-CE 3.49Å; D191-K195 WeakPolarHBondContact O-CG 3.41Å; D191-K195 PolarHBondContact O-N 2.86Å; D191-K195 IonicContact OD2-NZ 2.75Å |
| 192 | H | 91.6 | Very high | 93.8 | Very high | 119 Ų | 119 | 61 Ų | 61 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -81 | -33 | -179.3 | -62.6 | 174.2 | 0 | 0 | 0 | 112.7 | T156 L190 L196 | T156-H192 HydrophobicContact CG2-CB 3.73Å; L190-H192 PolarHBondContact O-N 3.17Å; H192-L196 WeakPolarHBondContact O-CG 3.43Å |
| 193 | V | 94.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.7 | -48.1 | 176.2 | 179.4 | 0 | 0 | 0 | 0 | 109.5 | L153 T156 L157 V187 L190 K195 L196 S197 I203 | L153-V193 HydrophobicContact CD1-CG1 3.83Å; T156-V193 HydrophobicContact CG2-CG2 3.98Å; L157-V193 HydrophobicContact CD2-CG1 3.94Å; L157-V193 HydrophobicContact CD2-CG2 3.81Å; V187-V193 HydrophobicContact CG1-CG2 4.46Å; V187-V193 WeakPolarHBondContact O-CB 3.44Å; V187-V193 WeakPolarHBondContact O-CG2 3.19Å; L190-V193 HydrophobicContact CB-CB 4.31Å; L190-V193 HydrophobicContact CB-CG2 4.08Å; L190-V193 HydrophobicContact CD1-CG2 4.3Å; L190-V193 PolarHBondContact O-N 3.29Å; V193-K195 PolarHBondContact O-N 3.45Å; V193-L196 PolarHBondContact O-N 2.76Å; V193-S197 PolarHBondContact O-N 3.49Å; V193-I203 HydrophobicContact CG1-CD1 3.73Å; V193-I203 HydrophobicContact CG1-CG1 4.39Å |
| 194 | K | 94.4 | Very high | 93.8 | Very high | 99 Ų | 99 | 59.6 Ų | 59.6 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.6 | -28.4 | -178.6 | -165 | 168 | -172 | 161.8 | 0 | 114.4 | A188 N189 L190 L196 S197 | A188-K194 WeakPolarHBondContact O-CB 3.13Å; N189-K194 PolarHBondContact OD1-NZ 2.89Å; L190-K194 WeakPolarHBondContact O-CB 3.49Å; L190-K194 PolarHBondContact O-N 3.02Å; K194-L196 VanDerWaalsContact C-N 3.28Å; K194-S197 WeakPolarHBondContact CA-O 3.5Å |
| 195 | K | 93.9 | Very high | 93.8 | Very high | 146 Ų | 146 | 63.6 Ų | 63.6 | 64% | 0.635 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -13.9 | 174.1 | -75.6 | 165.9 | -159.5 | 161.7 | 0 | 113.6 | D191 V193 | D191-K195 WeakPolarHBondContact O-CB 3.41Å; D191-K195 WeakPolarHBondContact O-CD 3.36Å; D191-K195 WeakPolarHBondContact O-CE 3.49Å; D191-K195 WeakPolarHBondContact O-CG 3.41Å; D191-K195 PolarHBondContact O-N 2.86Å; D191-K195 IonicContact OD2-NZ 2.75Å; V193-K195 PolarHBondContact O-N 3.45Å |
| 196 | L | 93.4 | Very high | 93.7 | Very high | 56 Ų | 56 | 59.3 Ų | 59.3 | 29% | 0.293 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -35.4 | -177.5 | -63.2 | 173.8 | 0 | 0 | 0 | 112.3 | N152 L153 T156 H192 V193 K194 | N152-L196 HydrophobicContact CB-CD1 4.32Å; N152-L196 HydrophobicContact CB-CD2 4.36Å; L153-L196 HydrophobicContact CB-CB 4.28Å; L153-L196 HydrophobicContact CD1-CB 4.24Å; T156-L196 HydrophobicContact CG2-CD1 4.37Å; T156-L196 VanDerWaalsContact OG1-CD1 3.26Å; T156-L196 WeakPolarHBondContact OG1-CD1 3.31Å; H192-L196 WeakPolarHBondContact O-CG 3.43Å; V193-L196 PolarHBondContact O-N 2.76Å; K194-L196 VanDerWaalsContact C-N 3.28Å |
| 197 | S | 92.6 | Very high | 93.7 | Very high | 15 Ų | 15 | 58.6 Ų | 58.6 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | trans | -149.8 | 147.5 | 167 | -179 | 0 | 0 | 0 | 0 | 111.3 | L153 V193 K194 D199 | L153-S197 VanDerWaalsContact CD2-CB 3.49Å; V193-S197 PolarHBondContact O-N 3.49Å; K194-S197 WeakPolarHBondContact CA-O 3.5Å; S197-D199 PolarHBondContact OG-N 3.28Å; S197-D199 PolarHBondContact OG-O 3.09Å | ||
| 198 | T | 93.8 | Very high | 93.6 | Very high | 111 Ų | 111 | 65.1 Ų | 65.1 | 68% | 0.681 | 33% | 0.326 | S | S | * | . | trans | -106.6 | -10.6 | 163.9 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 199 | D | 93.9 | Very high | 93.5 | Very high | 77 Ų | 77 | 67.9 Ų | 67.9 | 41% | 0.412 | 34% | 0.344 | S | S | . | . | trans | -73.5 | 125.6 | 173.1 | 175 | 28.6 | 0 | 0 | 0 | 111 | S197 E201 L202 I203 | S197-D199 PolarHBondContact OG-N 3.28Å; S197-D199 PolarHBondContact OG-O 3.09Å; D199-E201 PolarHBondContact OD1-N 2.99Å; D199-L202 HydrophobicContact CB-CB 4.26Å; D199-L202 WeakPolarHBondContact OD2-CB 3.49Å; D199-L202 PolarHBondContact OD2-N 3.4Å; D199-I203 VanDerWaalsContact O-CD1 3.28Å; D199-I203 WeakPolarHBondContact O-CD1 3.31Å; D199-I203 VanDerWaalsContact O-CG1 3.23Å; D199-I203 WeakPolarHBondContact O-CG1 3.35Å | ||
| 200 | V | 93.1 | Very high | 93.3 | Very high | 63 Ų | 63 | 64.1 Ų | 64.1 | 38% | 0.382 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -80.4 | -31.1 | 179.9 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | I184 I203 V204 | I184-V200 HydrophobicContact CG2-CG1 4.34Å; V200-I203 PolarHBondContact O-N 2.99Å; V200-V204 HydrophobicContact CG1-CG2 4.3Å; V200-V204 VanDerWaalsContact O-CG2 3.3Å; V200-V204 WeakPolarHBondContact O-CG2 3.39Å; V200-V204 PolarHBondContact O-N 2.83Å |
| 201 | E | 92.4 | Very high | 92.7 | Very high | 151 Ų | 151 | 67.4 Ų | 67.4 | 71% | 0.706 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -70 | -47.6 | -178.2 | -62.6 | -169.6 | 177.3 | 0 | 0 | 110.6 | D199 I203 V204 D205 | D199-E201 PolarHBondContact OD1-N 2.99Å; E201-I203 VanDerWaalsContact C-N 3.26Å; E201-I203 PolarHBondContact O-N 2.84Å; E201-V204 PolarHBondContact O-N 3.24Å; E201-V204 VanDerWaalsContact O-N 3.11Å; E201-D205 PolarHBondContact O-N 2.65Å |
| 202 | L | 93.6 | Very high | 92 | Very high | 61 Ų | 61 | 67 Ų | 67 | 32% | 0.319 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.2 | -39 | 169.2 | 178.4 | 62.2 | 0 | 0 | 0 | 112.7 | R150 L153 D199 I206 | R150-L202 HydrophobicContact CG-CD1 4.48Å; L153-L202 HydrophobicContact CD2-CD2 4.2Å; L153-L202 HydrophobicContact CD2-CG 4.25Å; D199-L202 HydrophobicContact CB-CB 4.26Å; D199-L202 WeakPolarHBondContact OD2-CB 3.49Å; D199-L202 PolarHBondContact OD2-N 3.4Å; L202-I206 HydrophobicContact CD1-CD1 3.82Å; L202-I206 HydrophobicContact CD1-CG1 4.19Å; L202-I206 HydrophobicContact CG-CD1 3.88Å; L202-I206 WeakPolarHBondContact O-CB 3.35Å; L202-I206 WeakPolarHBondContact O-CD1 3.38Å; L202-I206 WeakPolarHBondContact O-CG1 3.3Å; L202-I206 PolarHBondContact O-N 3.36Å |
| 203 | I | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.3 | -45.4 | 175.8 | -71.8 | 168.3 | 0 | 0 | 0 | 110.7 | L153 L157 I184 A188 V193 D199 V200 E201 D205 I206 L207 | L153-I203 HydrophobicContact CD1-CG1 4.32Å; L153-I203 HydrophobicContact CD2-CG1 4.16Å; L157-I203 HydrophobicContact CD1-CG2 4.29Å; L157-I203 HydrophobicContact CD2-CG2 4.33Å; I184-I203 HydrophobicContact CG2-CG2 3.91Å; A188-I203 HydrophobicContact CB-CD1 3.71Å; V193-I203 HydrophobicContact CG1-CD1 3.73Å; V193-I203 HydrophobicContact CG1-CG1 4.39Å; D199-I203 VanDerWaalsContact O-CD1 3.28Å; D199-I203 WeakPolarHBondContact O-CD1 3.31Å; D199-I203 VanDerWaalsContact O-CG1 3.23Å; D199-I203 WeakPolarHBondContact O-CG1 3.35Å; V200-I203 PolarHBondContact O-N 2.99Å; E201-I203 VanDerWaalsContact C-N 3.26Å; E201-I203 PolarHBondContact O-N 2.84Å; I203-D205 PolarHBondContact O-N 2.97Å; I203-I206 PolarHBondContact O-N 3.34Å; I203-L207 HydrophobicContact CG2-CD1 3.81Å; I203-L207 HydrophobicContact CG2-CG 4.28Å; I203-L207 WeakPolarHBondContact O-CB 3.26Å; I203-L207 WeakPolarHBondContact O-CG 3.25Å; I203-L207 PolarHBondContact O-N 2.78Å |
| 204 | V | 95.2 | Very high | 91.6 | Very high | 13 Ų | 13 | 65.7 Ų | 65.7 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 177.7 | 167 | 0 | 0 | 0 | 0 | 111.3 | I184 V200 E201 L207 R208 V215 G219 | I184-V204 HydrophobicContact CD1-CG2 4.01Å; I184-V204 HydrophobicContact CG2-CG2 4.16Å; V200-V204 HydrophobicContact CG1-CG2 4.3Å; V200-V204 VanDerWaalsContact O-CG2 3.3Å; V200-V204 WeakPolarHBondContact O-CG2 3.39Å; V200-V204 PolarHBondContact O-N 2.83Å; E201-V204 PolarHBondContact O-N 3.24Å; E201-V204 VanDerWaalsContact O-N 3.11Å; V204-L207 PolarHBondContact O-N 3.23Å; V204-R208 WeakPolarHBondContact O-CG 3.36Å; V204-R208 PolarHBondContact O-N 2.93Å; V204-V215 HydrophobicContact CG1-CG1 4.44Å; V204-G219 VanDerWaalsContact CG2-O 3.31Å; V204-G219 WeakPolarHBondContact CG2-O 3.29Å |
| 205 | D | 94.4 | Very high | 91.5 | Very high | 85 Ų | 85 | 62 Ų | 62 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -73.5 | -34.1 | -178.7 | -82.9 | -2.1 | 0 | 0 | 0 | 113 | E201 I203 R208 S209 | E201-D205 PolarHBondContact O-N 2.65Å; I203-D205 PolarHBondContact O-N 2.97Å; D205-R208 PolarHBondContact O-N 3.09Å; D205-R208 IonicContact OD1-CZ 3.97Å; D205-R208 IonicContact OD1-NH1 2.98Å; D205-R208 PolarHBondContact OD1-NH1 3.42Å; D205-S209 PolarHBondContact O-N 2.87Å; D205-S209 VanDerWaalsContact O-N 3.12Å |
| 206 | I | 94.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 168 | -68.6 | 165.9 | 0 | 0 | 0 | 110 | R150 L153 K154 L157 L202 I203 R208 S209 L210 | R150-I206 HydrophobicContact CG-CD1 3.86Å; R150-I206 HydrophobicContact CG-CG1 4.12Å; L153-I206 HydrophobicContact CB-CD1 4.14Å; L153-I206 HydrophobicContact CD2-CD1 3.46Å; L153-I206 VanDerWaalsContact CD2-CD1 3.46Å; L153-I206 HydrophobicContact CG-CD1 3.69Å; K154-I206 HydrophobicContact CB-CG2 3.83Å; K154-I206 HydrophobicContact CG-CG2 4.08Å; L157-I206 HydrophobicContact CD1-CB 4.27Å; L157-I206 HydrophobicContact CD1-CG2 3.79Å; L202-I206 HydrophobicContact CD1-CD1 3.82Å; L202-I206 HydrophobicContact CD1-CG1 4.19Å; L202-I206 HydrophobicContact CG-CD1 3.88Å; L202-I206 WeakPolarHBondContact O-CB 3.35Å; L202-I206 WeakPolarHBondContact O-CD1 3.38Å; L202-I206 WeakPolarHBondContact O-CG1 3.3Å; L202-I206 PolarHBondContact O-N 3.36Å; I203-I206 PolarHBondContact O-N 3.34Å; I206-R208 VanDerWaalsContact C-N 3.29Å; I206-R208 PolarHBondContact O-N 3.23Å; I206-S209 WeakPolarHBondContact O-CA 3.32Å; I206-S209 WeakPolarHBondContact O-CB 3.43Å; I206-S209 PolarHBondContact O-N 2.84Å; I206-S209 PolarHBondContact O-OG 2.95Å; I206-L210 WeakPolarHBondContact O-CG 3.49Å; I206-L210 PolarHBondContact O-N 3.45Å |
| 207 | L | 93.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.8 | -35.5 | 177.5 | -71.9 | 173.6 | 0 | 0 | 0 | 112.5 | L157 L161 I184 I203 V204 S209 L210 V213 V215 V222 | L157-L207 HydrophobicContact CB-CD2 4Å; L157-L207 HydrophobicContact CD1-CD2 4.16Å; L157-L207 HydrophobicContact CD1-CG 4.22Å; L157-L207 HydrophobicContact CD2-CD2 4.16Å; L157-L207 HydrophobicContact CG-CD2 4.33Å; L161-L207 HydrophobicContact CD1-CD2 3.51Å; I184-L207 HydrophobicContact CD1-CD1 3.76Å; I184-L207 HydrophobicContact CG1-CD1 3.84Å; I184-L207 HydrophobicContact CG2-CD1 4.14Å; I203-L207 HydrophobicContact CG2-CD1 3.81Å; I203-L207 HydrophobicContact CG2-CG 4.28Å; I203-L207 WeakPolarHBondContact O-CB 3.26Å; I203-L207 WeakPolarHBondContact O-CG 3.25Å; I203-L207 PolarHBondContact O-N 2.78Å; V204-L207 PolarHBondContact O-N 3.23Å; L207-S209 VanDerWaalsContact C-N 3.29Å; L207-S209 PolarHBondContact O-N 2.98Å; L207-L210 HydrophobicContact CD2-CD1 4.01Å; L207-L210 PolarHBondContact O-N 3.28Å; L207-V213 HydrophobicContact CD2-CG2 4.27Å; L207-V213 WeakPolarHBondContact O-CG2 3.34Å; L207-V215 HydrophobicContact CB-CG2 3.49Å; L207-V215 VanDerWaalsContact CB-CG2 3.49Å; L207-V222 HydrophobicContact CD1-CB 4.3Å; L207-V222 HydrophobicContact CD1-CG1 4.24Å; L207-V222 HydrophobicContact CD1-CG2 4.4Å; L207-V222 HydrophobicContact CD2-CG2 4.4Å |
| 208 | R | 92.3 | Very high | 91.2 | Very high | 138 Ų | 138 | 69.1 Ų | 69.1 | 52% | 0.521 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.6 | -27.8 | 172.2 | -75.8 | 168.2 | 170.7 | 162.7 | -4.4 | 113 | V204 D205 I206 L210 V215 | V204-R208 WeakPolarHBondContact O-CG 3.36Å; V204-R208 PolarHBondContact O-N 2.93Å; D205-R208 PolarHBondContact O-N 3.09Å; D205-R208 IonicContact OD1-CZ 3.97Å; D205-R208 IonicContact OD1-NH1 2.98Å; D205-R208 PolarHBondContact OD1-NH1 3.42Å; I206-R208 VanDerWaalsContact C-N 3.29Å; I206-R208 PolarHBondContact O-N 3.23Å; R208-L210 VanDerWaalsContact C-N 3.34Å; R208-V215 HydrophobicContact CG-CB 4.05Å; R208-V215 HydrophobicContact CG-CG1 4.27Å; R208-V215 HydrophobicContact CG-CG2 4.06Å |
| 209 | S | 91.6 | Very high | 91 | Very high | 68 Ų | 68 | 64.3 Ų | 64.3 | 48% | 0.476 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -80.6 | -9.5 | 175.2 | 81 | 0 | 0 | 0 | 0 | 114.4 | D205 I206 L207 | D205-S209 PolarHBondContact O-N 2.87Å; D205-S209 VanDerWaalsContact O-N 3.12Å; I206-S209 WeakPolarHBondContact O-CA 3.32Å; I206-S209 WeakPolarHBondContact O-CB 3.43Å; I206-S209 PolarHBondContact O-N 2.84Å; I206-S209 PolarHBondContact O-OG 2.95Å; L207-S209 VanDerWaalsContact C-N 3.29Å; L207-S209 PolarHBondContact O-N 2.98Å |
| 210 | L | 88.8 | Confident | 91 | Very high | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | trans | -86.3 | 118.9 | -177.8 | -67.5 | -166.9 | 0 | 0 | 0 | 111.8 | K154 L157 E158 I206 L207 R208 L212 V213 | K154-L210 HydrophobicContact CD-CD2 4.18Å; K154-L210 HydrophobicContact CG-CD2 3.52Å; L157-L210 HydrophobicContact CB-CD1 4.16Å; E158-L210 HydrophobicContact CG-CD1 3.78Å; E158-L210 HydrophobicContact CG-CD2 3.48Å; E158-L210 VanDerWaalsContact CG-CD2 3.48Å; E158-L210 HydrophobicContact CG-CG 4.24Å; E158-L210 VanDerWaalsContact OE1-CD2 3.31Å; E158-L210 WeakPolarHBondContact OE1-CD2 3.11Å; I206-L210 WeakPolarHBondContact O-CG 3.49Å; I206-L210 PolarHBondContact O-N 3.45Å; L207-L210 HydrophobicContact CD2-CD1 4.01Å; L207-L210 PolarHBondContact O-N 3.28Å; R208-L210 VanDerWaalsContact C-N 3.34Å; L210-L212 PolarHBondContact O-N 2.96Å; L210-L212 VanDerWaalsContact O-N 3.17Å; L210-V213 HydrophobicContact CB-CG2 3.55Å; L210-V213 HydrophobicContact CD1-CG2 3.99Å; L210-V213 HydrophobicContact CG-CG2 4.3Å; L210-V213 PolarHBondContact O-N 3.08Å | ||
| 211 | P | 81.9 | Confident | 91.1 | Very high | 95 Ų | 95 | 65.6 Ų | 65.6 | 62% | 0.617 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -18.5 | 177.6 | 28.5 | -35.2 | 0 | 0 | 0 | 113.3 | N225 | P211-N225 PolarHBondContact O-ND2 3.46Š|
| 212 | L | 78.3 | Confident | 91.1 | Very high | 100 Ų | 100 | 58.4 Ų | 58.4 | 52% | 0.524 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -12.2 | -176.5 | -62.8 | 178.7 | 0 | 0 | 0 | 114.4 | L210 N225 | L210-L212 PolarHBondContact O-N 2.96Å; L210-L212 VanDerWaalsContact O-N 3.17Å; L212-N225 VanDerWaalsContact C-CB 3.49Å; L212-N225 WeakPolarHBondContact O-CB 3.42Å; L212-N225 PolarHBondContact O-N 3.29Å |
| 213 | V | 88.4 | Confident | 90.9 | Very high | 11 Ų | 11 | 57.8 Ų | 57.8 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 161.4 | -177.8 | -66.6 | 0 | 0 | 0 | 0 | 111.7 | L161 L207 L210 V222 R223 | L161-V213 HydrophobicContact CB-CG1 3.72Å; L161-V213 HydrophobicContact CD1-CG1 3.88Å; L161-V213 HydrophobicContact CG-CG1 4.43Å; L207-V213 HydrophobicContact CD2-CG2 4.27Å; L207-V213 WeakPolarHBondContact O-CG2 3.34Å; L210-V213 HydrophobicContact CB-CG2 3.55Å; L210-V213 HydrophobicContact CD1-CG2 3.99Å; L210-V213 HydrophobicContact CG-CG2 4.3Å; L210-V213 PolarHBondContact O-N 3.08Å; V213-V222 HydrophobicContact CB-CG2 3.71Å; V213-V222 HydrophobicContact CG1-CG2 4.19Å; V213-V222 HydrophobicContact CG2-CG2 4.01Å; V213-R223 CarbonylContact C-O 2.89Å; V213-R223 VanDerWaalsContact CA-O 3.3Å; V213-R223 WeakPolarHBondContact CA-O 3.17Å; V213-R223 WeakPolarHBondContact CB-O 3.42Å |
| 214 | Q | 89.3 | Confident | 90.5 | Very high | 82 Ų | 82 | 58 Ų | 58 | 38% | 0.383 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 115.3 | 170.5 | -175.6 | -179.8 | 23.5 | 0 | 0 | 108.3 | R223 | Q214-R223 HydrophobicContact CB-CG 4.07Å; Q214-R223 PolarHBondContact N-O 3.34Å; Q214-R223 PolarHBondContact O-N 2.99Å |
| 215 | V | 92.4 | Very high | 89.8 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 13% | 0.127 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 144.6 | 168.9 | -179.3 | 0 | 0 | 0 | 0 | 109 | I184 V204 L207 R208 V222 | I184-V215 HydrophobicContact CD1-CG1 3.96Å; V204-V215 HydrophobicContact CG1-CG1 4.44Å; L207-V215 HydrophobicContact CB-CG2 3.49Å; L207-V215 VanDerWaalsContact CB-CG2 3.49Å; R208-V215 HydrophobicContact CG-CB 4.05Å; R208-V215 HydrophobicContact CG-CG1 4.27Å; R208-V215 HydrophobicContact CG-CG2 4.06Å; V215-V222 HydrophobicContact CG2-CG2 4.15Å |
| 216 | D | 92.6 | Very high | 88.9 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | trans | -65.4 | 156.9 | 172.9 | 177.3 | 52 | 0 | 0 | 0 | 112.1 | Y181 K218 G219 K221 | Y181-D216 HydrophobicContact CE1-CB 4.08Å; D216-K218 PolarHBondContact O-N 3.18Å; D216-K218 VanDerWaalsContact O-N 3.09Å; D216-K218 PolarHBondContact OD2-N 2.92Å; D216-G219 PolarHBondContact O-N 2.84Å; D216-K221 HydrophobicContact CB-CB 3.79Å; D216-K221 WeakPolarHBondContact CB-O 3.31Å; D216-K221 PolarHBondContact N-O 2.8Å | ||
| 217 | E | 90.4 | Very high | 87.9 | Confident | 186 Ų | 186 | 62.3 Ų | 62.3 | 87% | 0.869 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -36 | -178.2 | -64.9 | -177.4 | 175.5 | 0 | 0 | 112.1 | ||
| 218 | K | 89.9 | Confident | 87.3 | Confident | 142 Ų | 142 | 68.5 Ų | 68.5 | 62% | 0.617 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -15.4 | 178.9 | -58.8 | -174.1 | 178.3 | -177.8 | 0 | 115.7 | D216 E220 | D216-K218 PolarHBondContact O-N 3.18Å; D216-K218 VanDerWaalsContact O-N 3.09Å; D216-K218 PolarHBondContact OD2-N 2.92Å; K218-E220 VanDerWaalsContact C-N 3.32Å; K218-E220 HydrophobicContact CB-CB 4.5Å; K218-E220 HydrophobicContact CB-CG 3.95Å; K218-E220 HydrophobicContact CD-CG 4.16Å; K218-E220 WeakPolarHBondContact CD-OE1 3.16Å; K218-E220 IonicContact NZ-OE1 2.68Å; K218-E220 PolarHBondContact NZ-OE1 3.08Å; K218-E220 IonicContact NZ-OE2 2.73Å; K218-E220 PolarHBondContact NZ-OE2 3.02Å |
| 219 | G | 90.8 | Very high | 87.1 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 75.3 | 11.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | I184 V204 D216 | I184-G219 WeakPolarHBondContact CD1-O 3.3Å; V204-G219 VanDerWaalsContact CG2-O 3.31Å; V204-G219 WeakPolarHBondContact CG2-O 3.29Å; D216-G219 PolarHBondContact O-N 2.84Å |
| 220 | E | 94.4 | Very high | 87 | Confident | 104 Ų | 104 | 60.3 Ų | 60.3 | 49% | 0.486 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -81.4 | -24.1 | 178.7 | -67.2 | 173.5 | -170.7 | 0 | 0 | 113.1 | I184 K218 | I184-E220 PolarHBondContact N-O 3.25Å; K218-E220 VanDerWaalsContact C-N 3.32Å; K218-E220 HydrophobicContact CB-CB 4.5Å; K218-E220 HydrophobicContact CB-CG 3.95Å; K218-E220 HydrophobicContact CD-CG 4.16Å; K218-E220 WeakPolarHBondContact CD-OE1 3.16Å; K218-E220 IonicContact NZ-OE1 2.68Å; K218-E220 PolarHBondContact NZ-OE1 3.08Å; K218-E220 IonicContact NZ-OE2 2.73Å; K218-E220 PolarHBondContact NZ-OE2 3.02Å |
| 221 | K | 93.6 | Very high | 87.1 | Confident | 63 Ų | 63 | 60 Ų | 60 | 27% | 0.274 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 150.6 | -163.7 | -78.3 | 168.3 | 173.4 | -76.8 | 0 | 111.2 | D177 Y181 V182 D216 | D177-K221 IonicContact OD2-NZ 2.64Å; D177-K221 PolarHBondContact OD2-NZ 3.44Å; Y181-K221 HydrophobicContact CD1-CB 3.82Å; Y181-K221 HydrophobicContact CG-CB 4.23Å; V182-K221 WeakPolarHBondContact O-CA 3.32Å; D216-K221 HydrophobicContact CB-CB 3.79Å; D216-K221 WeakPolarHBondContact CB-O 3.31Å; D216-K221 PolarHBondContact N-O 2.8Å |
| 222 | V | 92.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 139 | 175.2 | 63.8 | 0 | 0 | 0 | 0 | 111.1 | L161 Y181 V182 I184 V187 L207 V213 V215 | L161-V222 HydrophobicContact CD1-CG1 3.84Å; L161-V222 HydrophobicContact CD1-CG2 3.97Å; L161-V222 HydrophobicContact CD2-CG1 4.42Å; Y181-V222 WeakPolarHBondContact CA-O 3.42Å; V182-V222 PolarHBondContact N-O 2.81Å; V182-V222 PolarHBondContact O-N 3.49Å; I184-V222 HydrophobicContact CD1-CB 4.02Å; I184-V222 HydrophobicContact CD1-CG1 4.45Å; I184-V222 HydrophobicContact CG1-CB 3.81Å; I184-V222 HydrophobicContact CG1-CG1 3.71Å; V187-V222 HydrophobicContact CG2-CG1 4.05Å; L207-V222 HydrophobicContact CD1-CB 4.3Å; L207-V222 HydrophobicContact CD1-CG1 4.24Å; L207-V222 HydrophobicContact CD1-CG2 4.4Å; L207-V222 HydrophobicContact CD2-CG2 4.4Å; V213-V222 HydrophobicContact CB-CG2 3.71Å; V213-V222 HydrophobicContact CG1-CG2 4.19Å; V213-V222 HydrophobicContact CG2-CG2 4.01Å; V215-V222 HydrophobicContact CG2-CG2 4.15Å |
| 223 | R | 89.3 | Confident | 88.3 | Confident | 49 Ų | 49 | 50.8 Ų | 50.8 | 19% | 0.185 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 156.7 | 169.6 | 65.6 | 175.8 | 174.2 | -154 | -7.1 | 111.3 | D179 Q180 Y181 V213 Q214 | D179-R223 PolarHBondContact O-NH1 2.94Å; Q180-R223 WeakPolarHBondContact O-CB 3.46Å; Y181-R223 HydrophobicContact CD1-CB 3.79Å; Y181-R223 HydrophobicContact CD1-CG 3.88Å; Y181-R223 HydrophobicContact CD2-CB 4.49Å; Y181-R223 HydrophobicContact CE1-CB 4.15Å; Y181-R223 HydrophobicContact CE1-CG 3.69Å; Y181-R223 HydrophobicContact CE2-CG 4.37Å; Y181-R223 HydrophobicContact CG-CB 3.99Å; Y181-R223 HydrophobicContact CG-CG 4.32Å; Y181-R223 VanDerWaalsContact OH-CZ 3.22Å; Y181-R223 PolarHBondContact OH-NE 2.97Å; Y181-R223 PolarHBondContact OH-NH2 3.07Å; V213-R223 CarbonylContact C-O 2.89Å; V213-R223 VanDerWaalsContact CA-O 3.3Å; V213-R223 WeakPolarHBondContact CA-O 3.17Å; V213-R223 WeakPolarHBondContact CB-O 3.42Å; Q214-R223 HydrophobicContact CB-CG 4.07Å; Q214-R223 PolarHBondContact N-O 3.34Å; Q214-R223 PolarHBondContact O-N 2.99Å |
| 224 | P | 86.8 | Confident | 88.4 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.032 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 142.4 | 164 | -25.2 | 35.8 | 0 | 0 | 0 | 112 | L166 Q226 I306 | L166-P224 HydrophobicContact CD2-CG 3.25Å; P224-Q226 PolarHBondContact O-N 2.94Å; P224-I306 HydrophobicContact CB-CD1 3.44Å; P224-I306 VanDerWaalsContact CB-CD1 3.44Å; P224-I306 HydrophobicContact CG-CD1 4.48Å |
| 225 | N | 80.3 | Confident | 88.2 | Confident | 41 Ų | 41 | 56.7 Ų | 56.7 | 22% | 0.219 | 26% | 0.26 | C | S | . | . | trans | -74 | 125 | -177.6 | -169.4 | -8.9 | 0 | 0 | 0 | 111 | P211 L212 N227 | P211-N225 PolarHBondContact O-ND2 3.46Å; L212-N225 VanDerWaalsContact C-CB 3.49Å; L212-N225 WeakPolarHBondContact O-CB 3.42Å; L212-N225 PolarHBondContact O-N 3.29Å; N225-N227 VanDerWaalsContact C-N 3.32Å; N225-N227 PolarHBondContact ND2-ND2 2.86Å; N225-N227 PolarHBondContact ND2-OD1 2.89Å; N225-N227 VanDerWaalsContact OD1-CG 3.28Å; N225-N227 PolarHBondContact OD1-N 3.37Å; N225-N227 PolarHBondContact OD1-OD1 2.91Å | ||
| 226 | Q | 74.4 | Confident | 88 | Confident | 89 Ų | 89 | 55.8 Ų | 55.8 | 42% | 0.416 | 26% | 0.255 | S | S | . | . | trans | -90.7 | 13.3 | 179.7 | -60.7 | -172.6 | 2.1 | 0 | 0 | 113.8 | P224 R228 A303 I306 | P224-Q226 PolarHBondContact O-N 2.94Å; Q226-R228 PolarHBondContact O-N 2.86Å; Q226-A303 WeakPolarHBondContact O-CB 3.08Å; Q226-I306 HydrophobicContact CG-CD1 4.42Å | ||
| 227 | N | 75.3 | Confident | 87.6 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 32% | 0.321 | 26% | 0.255 | S | S | . | . | trans | -33.8 | 132.2 | 177.3 | -94.8 | 8.1 | 0 | 0 | 0 | 113.9 | N225 C229 E275 | N225-N227 VanDerWaalsContact C-N 3.32Å; N225-N227 PolarHBondContact ND2-ND2 2.86Å; N225-N227 PolarHBondContact ND2-OD1 2.89Å; N225-N227 VanDerWaalsContact OD1-CG 3.28Å; N225-N227 PolarHBondContact OD1-N 3.37Å; N225-N227 PolarHBondContact OD1-OD1 2.91Å; N227-C229 VanDerWaalsContact C-N 3.28Å; N227-C229 PolarHBondContact O-N 3.09Å; N227-C229 VanDerWaalsContact O-N 3.09Å; N227-E275 WeakPolarHBondContact CA-OE2 3.45Å; N227-E275 HydrophobicContact CB-CB 4.41Å | ||
| 228 | R | 80.4 | Confident | 87.3 | Confident | 132 Ų | 132 | 53 Ų | 53 | 50% | 0.498 | 24% | 0.243 | S | C | . | . | trans | -88 | 44.8 | -172.8 | -50.9 | -169.2 | -174.8 | 91.3 | -3 | 115 | Q226 I230 E275 A278 I301 K302 A303 | Q226-R228 PolarHBondContact O-N 2.86Å; R228-I230 PolarHBondContact O-N 2.91Å; R228-E275 VanDerWaalsContact CB-CD 3.48Å; R228-E275 HydrophobicContact CB-CG 4.06Å; R228-E275 WeakPolarHBondContact CG-OE1 3.23Å; R228-E275 WeakPolarHBondContact CG-OE2 3.3Å; R228-E275 IonicContact CZ-OE1 3.98Å; R228-E275 PolarHBondContact N-OE2 3.07Å; R228-E275 IonicContact NH1-OE1 3.93Å; R228-E275 PolarHBondContact NH1-OE1 2.81Å; R228-A278 WeakPolarHBondContact O-CB 3.46Å; R228-I301 HydrophobicContact CB-CG2 3.47Å; R228-I301 VanDerWaalsContact CB-CG2 3.47Å; R228-I301 HydrophobicContact CG-CG2 4.41Å; R228-I301 WeakPolarHBondContact O-CG2 3.04Å; R228-K302 CarbonylContact C-O 3.58Å; R228-A303 HydrophobicContact CG-CB 4.46Å | ||
| 229 | C | 86.7 | Confident | 87 | Confident | 14 Ų | 14 | 51.3 Ų | 51.3 | 10% | 0.095 | 25% | 0.249 | C | C | . | . | trans | -68.6 | 3.6 | -175 | -46.8 | 0 | 0 | 0 | 0 | 115.7 | N227 T271 F272 E273 E275 | N227-C229 VanDerWaalsContact C-N 3.28Å; N227-C229 PolarHBondContact O-N 3.09Å; N227-C229 VanDerWaalsContact O-N 3.09Å; C229-T271 CarbonylContact O-C 3.41Å; C229-T271 WeakPolarHBondContact O-CA 3.18Å; C229-F272 WeakPolarHBondContact CB-O 3.28Å; C229-F272 PolarHBondContact O-N 2.77Å; C229-E273 PolarHBondContact SG-O 3.17Å; C229-E273 VanDerWaalsContact SG-O 3.32Å; C229-E275 PolarHBondContact SG-N 2.94Å | ||
| 230 | I | 89.9 | Confident | 86.7 | Confident | 19 Ų | 19 | 51 Ų | 51 | 10% | 0.097 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 112.5 | -179.9 | -51.6 | -177.7 | 0 | 0 | 0 | 111 | R228 I232 F269 I270 T271 I301 K302 K304 | R228-I230 PolarHBondContact O-N 2.91Å; I230-I232 HydrophobicContact CG2-CG1 3.96Å; I230-F269 HydrophobicContact CG2-CB 4.16Å; I230-I270 CarbonylContact C-O 3.55Å; I230-I270 WeakPolarHBondContact CA-O 3.42Å; I230-T271 HydrophobicContact CG1-CG2 4.19Å; I230-I301 CarbonylContact O-C 3.51Å; I230-K302 WeakPolarHBondContact CB-O 3.46Å; I230-K302 PolarHBondContact N-O 3.18Å; I230-K302 PolarHBondContact O-N 2.89Å; I230-K304 HydrophobicContact CD1-CB 3.9Å; I230-K304 HydrophobicContact CD1-CG 4.14Å; I230-K304 HydrophobicContact CG1-CB 4.32Å |
| 231 | V | 91.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 131.1 | 163.7 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | I270 F272 A278 L285 A299 | V231-I270 PolarHBondContact N-O 2.97Å; V231-I270 PolarHBondContact O-N 3.2Å; V231-F272 HydrophobicContact CB-CE2 3.99Å; V231-F272 HydrophobicContact CG2-CD2 4Å; V231-F272 HydrophobicContact CG2-CE2 3.58Å; V231-A278 HydrophobicContact CG2-CB 4.03Å; V231-A278 VanDerWaalsContact CG2-O 3.26Å; V231-A278 WeakPolarHBondContact CG2-O 3.28Å; V231-L285 HydrophobicContact CG1-CD1 3.64Å; V231-A299 HydrophobicContact CG1-CB 4.45Å |
| 232 | I | 92.7 | Very high | 86.1 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 109.4 | 176.4 | -56.6 | 177.3 | 0 | 0 | 0 | 108.9 | I230 N267 W268 F269 A299 R300 K302 | I230-I232 HydrophobicContact CG2-CG1 3.96Å; I232-N267 HydrophobicContact CG2-CB 4.01Å; I232-W268 CarbonylContact C-O 3.54Å; I232-W268 VanDerWaalsContact CA-O 3.23Å; I232-W268 WeakPolarHBondContact CA-O 3.35Å; I232-F269 HydrophobicContact CB-CD1 4.12Å; I232-F269 HydrophobicContact CB-CE1 4.35Å; I232-F269 HydrophobicContact CD1-CD1 3.88Å; I232-F269 HydrophobicContact CD1-CE1 3.64Å; I232-F269 HydrophobicContact CD1-CZ 4.31Å; I232-F269 HydrophobicContact CG1-CD1 3.57Å; I232-F269 HydrophobicContact CG1-CE1 3.84Å; I232-F269 HydrophobicContact CG1-CG 4.4Å; I232-F269 HydrophobicContact CG2-CD1 3.73Å; I232-F269 HydrophobicContact CG2-CE1 3.67Å; I232-A299 CarbonylContact O-C 3.51Å; I232-A299 VanDerWaalsContact O-CA 3.31Å; I232-A299 WeakPolarHBondContact O-CA 3.37Å; I232-R300 HydrophobicContact CB-CG 3.69Å; I232-R300 HydrophobicContact CG1-CG 4.49Å; I232-R300 HydrophobicContact CG2-CG 4.23Å; I232-R300 PolarHBondContact N-O 2.98Å; I232-R300 PolarHBondContact O-N 3.47Å; I232-K302 HydrophobicContact CD1-CB 3.65Å; I232-K302 HydrophobicContact CD1-CD 3.58Å; I232-K302 HydrophobicContact CD1-CG 4.17Å; I232-K302 HydrophobicContact CG1-CB 4.3Å |
| 233 | L | 91.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 150.2 | 163.2 | -54.8 | 178.7 | 0 | 0 | 0 | 109.1 | V236 V245 L248 F249 N267 W268 I270 L285 I297 A299 | L233-V236 HydrophobicContact CB-CG2 4.2Å; L233-V236 HydrophobicContact CD1-CG2 4.46Å; L233-V245 HydrophobicContact CD1-CG1 3.86Å; L233-L248 HydrophobicContact CD1-CD1 3.82Å; L233-F249 HydrophobicContact CD1-CE2 4.41Å; L233-F249 HydrophobicContact CD1-CZ 4.45Å; L233-N267 WeakPolarHBondContact O-CA 3.35Å; L233-W268 HydrophobicContact CB-CB 4.23Å; L233-W268 HydrophobicContact CD1-CB 4.41Å; L233-W268 PolarHBondContact N-O 2.97Å; L233-W268 PolarHBondContact O-N 3.32Å; L233-W268 VanDerWaalsContact O-N 3.11Å; L233-I270 HydrophobicContact CD1-CD1 3.82Å; L233-I270 HydrophobicContact CG-CD1 3.68Å; L233-L285 HydrophobicContact CD2-CD1 3.59Å; L233-L285 HydrophobicContact CD2-CD2 3.84Å; L233-L285 HydrophobicContact CD2-CG 4.33Å; L233-I297 HydrophobicContact CD1-CD1 4.26Å; L233-I297 HydrophobicContact CD2-CD1 3.86Å; L233-I297 HydrophobicContact CD2-CG1 4.3Å; L233-A299 HydrophobicContact CD2-CB 4.12Å |
| 234 | R | 91.4 | Very high | 85.8 | Confident | 111 Ų | 111 | 57.7 Ų | 57.7 | 42% | 0.419 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 154.1 | 171.2 | -58.7 | -179.3 | 172.8 | -154.3 | 1.3 | 109.4 | V236 D266 K298 | R234-V236 PolarHBondContact O-N 2.74Å; R234-D266 CarbonylContact C-O 3.57Å; R234-D266 WeakPolarHBondContact CA-O 3.39Å; R234-K298 HydrophobicContact CB-CB 4.05Å; R234-K298 VanDerWaalsContact CB-O 3.32Å; R234-K298 WeakPolarHBondContact CB-O 3.41Å; R234-K298 WeakPolarHBondContact CG-O 3.26Å; R234-K298 PolarHBondContact N-O 2.88Å; R234-K298 VanDerWaalsContact N-O 3.08Å |
| 235 | E | 86.1 | Confident | 85.8 | Confident | 106 Ų | 106 | 57.4 Ų | 57.4 | 50% | 0.495 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 65.4 | 26.2 | 178 | -56.2 | 173.4 | -163.7 | 0 | 0 | 112.6 | D266 K298 | E235-D266 PolarHBondContact N-O 2.94Å; E235-K298 VanDerWaalsContact OE1-CD 3.27Å; E235-K298 WeakPolarHBondContact OE1-CD 3.34Å; E235-K298 IonicContact OE1-NZ 3.67Å; E235-K298 PolarHBondContact OE1-NZ 3.24Å; E235-K298 WeakPolarHBondContact OE2-CE 3.4Å; E235-K298 IonicContact OE2-NZ 3.18Å; E235-K298 PolarHBondContact OE2-NZ 2.85Å |
| 236 | V | 86.8 | Confident | 86 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | trans | -110.1 | 109.9 | 169.7 | -178.6 | 0 | 0 | 0 | 0 | 106.8 | L233 R234 T240 V245 D266 W268 F292 I297 | L233-V236 HydrophobicContact CB-CG2 4.2Å; L233-V236 HydrophobicContact CD1-CG2 4.46Å; R234-V236 PolarHBondContact O-N 2.74Å; V236-T240 HydrophobicContact CG1-CG2 4.19Å; V236-V245 HydrophobicContact CG1-CG2 4.16Å; V236-D266 PolarHBondContact N-O 3.38Å; V236-D266 CarbonylContact O-C 3.57Å; V236-W268 PolarHBondContact O-NE1 3.47Å; V236-W268 VanDerWaalsContact O-NE1 3.14Å; V236-F292 HydrophobicContact CG1-CD1 4.26Å; V236-F292 HydrophobicContact CG1-CE1 3.84Å; V236-F292 HydrophobicContact CG2-CD1 4.13Å; V236-I297 HydrophobicContact CG2-CD1 4.26Å; V236-I297 HydrophobicContact CG2-CG1 4.29Å | ||
| 237 | P | 83.7 | Confident | 86.6 | Confident | 32 Ų | 32 | 56.4 Ų | 56.4 | 21% | 0.208 | 29% | 0.288 | C | S | . | . | trans | -75.3 | 160.4 | -170.9 | 31.1 | -36 | 0 | 0 | 0 | 112.9 | S239 T240 | P237-S239 PolarHBondContact O-N 3.25Å; P237-T240 VanDerWaalsContact O-CB 3.28Å; P237-T240 WeakPolarHBondContact O-CB 3.23Å; P237-T240 PolarHBondContact O-N 2.66Å; P237-T240 VanDerWaalsContact O-N 3.08Å; P237-T240 PolarHBondContact O-OG1 2.87Å | ||
| 238 | E | 84.6 | Confident | 87 | Confident | 132 Ų | 132 | 54.3 Ų | 54.3 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.8 | 177.5 | -163.9 | 170.5 | 176.3 | 0 | 0 | 113.4 | T240 F262 | E238-T240 PolarHBondContact O-N 2.8Å; E238-F262 HydrophobicContact CB-CD1 3.95Å; E238-F262 HydrophobicContact CB-CD2 4.38Å; E238-F262 HydrophobicContact CB-CE1 3.56Å; E238-F262 HydrophobicContact CB-CE2 4.02Å; E238-F262 HydrophobicContact CB-CG 4.34Å; E238-F262 HydrophobicContact CB-CZ 3.6Å; E238-F262 VanDerWaalsContact CD-CE1 3.48Å; E238-F262 HydrophobicContact CG-CD1 3.53Å; E238-F262 HydrophobicContact CG-CE1 3.61Å; E238-F262 HydrophobicContact CG-CG 4.03Å; E238-F262 HydrophobicContact CG-CZ 4.16Å; E238-F262 VanDerWaalsContact OE2-CE1 3.27Å; E238-F262 WeakPolarHBondContact OE2-CE1 3.37Å |
| 239 | S | 83.4 | Confident | 87.2 | Confident | 107 Ų | 107 | 48.6 Ų | 48.6 | 75% | 0.748 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -9.7 | 176.1 | 61.3 | 0 | 0 | 0 | 0 | 114 | P237 | P237-S239 PolarHBondContact O-N 3.25Š|
| 240 | T | 84.9 | Confident | 86.6 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -73.1 | 123.5 | 169.9 | -61.5 | 0 | 0 | 0 | 0 | 108.4 | V236 P237 E238 E244 V245 W268 F292 Q293 | V236-T240 HydrophobicContact CG1-CG2 4.19Å; P237-T240 VanDerWaalsContact O-CB 3.28Å; P237-T240 WeakPolarHBondContact O-CB 3.23Å; P237-T240 PolarHBondContact O-N 2.66Å; P237-T240 VanDerWaalsContact O-N 3.08Å; P237-T240 PolarHBondContact O-OG1 2.87Å; E238-T240 PolarHBondContact O-N 2.8Å; T240-E244 HydrophobicContact CG2-CB 3.75Å; T240-V245 HydrophobicContact CG2-CG2 3.7Å; T240-W268 WeakPolarHBondContact O-CZ2 3.42Å; T240-F292 HydrophobicContact CG2-CE1 3.83Å; T240-F292 HydrophobicContact CG2-CZ 3.57Å; T240-Q293 PolarHBondContact OG1-NE2 3.48Å |
| 241 | P | 87.9 | Confident | 85.7 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 41% | 0.409 | 28% | 0.284 | S | S | . | . | trans | -62.4 | 142.9 | 176.9 | 27.7 | -34.2 | 0 | 0 | 0 | 109.7 | E243 E244 V245 | P241-E243 PolarHBondContact O-N 3.48Å; P241-E243 VanDerWaalsContact O-N 3.08Å; P241-E244 WeakPolarHBondContact CD-OE1 3.39Å; P241-E244 HydrophobicContact CG-CB 4.08Å; P241-E244 HydrophobicContact CG-CG 3.88Å; P241-E244 WeakPolarHBondContact CG-OE1 3.5Å; P241-E244 PolarHBondContact O-N 2.85Å; P241-V245 PolarHBondContact O-N 3.31Å | ||
| 242 | I | 87 | Confident | 84.7 | Confident | 77 Ų | 77 | 62.2 Ų | 62.2 | 40% | 0.395 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -52.9 | -36 | 179.1 | -171.3 | 165.1 | 0 | 0 | 0 | 111.3 | E244 V245 E246 C260 W268 | I242-E244 VanDerWaalsContact C-N 3.32Å; I242-E244 PolarHBondContact O-N 3.25Å; I242-V245 CarbonylContact O-C 3.31Å; I242-V245 WeakPolarHBondContact O-CA 3.44Å; I242-V245 WeakPolarHBondContact O-CB 3.32Å; I242-V245 PolarHBondContact O-N 3.15Å; I242-E246 HydrophobicContact CG1-CG 4.23Å; I242-E246 WeakPolarHBondContact O-CG 3.33Å; I242-E246 PolarHBondContact O-N 2.69Å; I242-C260 HydrophobicContact CD1-CB 4.25Å; I242-W268 HydrophobicContact CB-CH2 4.21Å; I242-W268 HydrophobicContact CB-CZ3 4.1Å; I242-W268 HydrophobicContact CD1-CZ3 4.33Å; I242-W268 HydrophobicContact CG1-CZ3 3.94Å |
| 243 | E | 87.9 | Confident | 83.5 | Confident | 139 Ų | 139 | 68.1 Ų | 68.1 | 65% | 0.65 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -55.2 | -37.4 | 176.1 | -62.5 | 177.7 | -158.9 | 0 | 0 | 114.5 | P241 A247 | P241-E243 PolarHBondContact O-N 3.48Å; P241-E243 VanDerWaalsContact O-N 3.08Å; E243-A247 WeakPolarHBondContact O-CB 3.18Å; E243-A247 PolarHBondContact O-N 3.31Å |
| 244 | E | 88.1 | Confident | 83 | Confident | 78 Ų | 78 | 69.3 Ų | 69.3 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.9 | -37.8 | 173.3 | -87.8 | -178.9 | -129.8 | 0 | 0 | 111.2 | T240 P241 I242 A247 L248 F292 Q293 | T240-E244 HydrophobicContact CG2-CB 3.75Å; P241-E244 WeakPolarHBondContact CD-OE1 3.39Å; P241-E244 HydrophobicContact CG-CB 4.08Å; P241-E244 HydrophobicContact CG-CG 3.88Å; P241-E244 WeakPolarHBondContact CG-OE1 3.5Å; P241-E244 PolarHBondContact O-N 2.85Å; I242-E244 VanDerWaalsContact C-N 3.32Å; I242-E244 PolarHBondContact O-N 3.25Å; E244-A247 WeakPolarHBondContact O-CB 3.26Å; E244-A247 PolarHBondContact O-N 3.28Å; E244-L248 PolarHBondContact O-N 3.13Å; E244-F292 HydrophobicContact CB-CE2 4.32Å; E244-F292 HydrophobicContact CB-CZ 4.07Å; E244-F292 VanDerWaalsContact OE2-CZ 3.28Å; E244-F292 WeakPolarHBondContact OE2-CZ 3.49Å; E244-Q293 PolarHBondContact OE2-NE2 2.99Å |
| 245 | V | 86.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.7 | -38.6 | 176.9 | -173.8 | 0 | 0 | 0 | 0 | 110.6 | L233 V236 T240 P241 I242 A247 L248 F249 W268 | L233-V245 HydrophobicContact CD1-CG1 3.86Å; V236-V245 HydrophobicContact CG1-CG2 4.16Å; T240-V245 HydrophobicContact CG2-CG2 3.7Å; P241-V245 PolarHBondContact O-N 3.31Å; I242-V245 CarbonylContact O-C 3.31Å; I242-V245 WeakPolarHBondContact O-CA 3.44Å; I242-V245 WeakPolarHBondContact O-CB 3.32Å; I242-V245 PolarHBondContact O-N 3.15Å; V245-A247 VanDerWaalsContact C-N 3.31Å; V245-L248 WeakPolarHBondContact O-CB 3.46Å; V245-L248 PolarHBondContact O-N 3.19Å; V245-F249 WeakPolarHBondContact O-CD2 3.23Å; V245-F249 WeakPolarHBondContact O-CE2 3.37Å; V245-W268 HydrophobicContact CB-CD2 4.39Å; V245-W268 HydrophobicContact CB-CE3 4.26Å; V245-W268 HydrophobicContact CB-CZ3 4.44Å; V245-W268 HydrophobicContact CG1-CB 4.34Å; V245-W268 HydrophobicContact CG1-CD2 3.99Å; V245-W268 HydrophobicContact CG1-CE3 3.98Å; V245-W268 HydrophobicContact CG1-CG 4.17Å; V245-W268 HydrophobicContact CG2-CD2 3.86Å; V245-W268 HydrophobicContact CG2-CE3 4.09Å; V245-W268 HydrophobicContact CG2-CG 4.47Å; V245-W268 HydrophobicContact CG2-CH2 4.04Å; V245-W268 HydrophobicContact CG2-CZ2 3.82Å; V245-W268 HydrophobicContact CG2-CZ3 4.17Å |
| 246 | E | 86 | Confident | 82.5 | Confident | 53 Ų | 53 | 69 Ų | 69 | 25% | 0.248 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64 | -36.8 | 169.8 | -59.3 | -167.5 | 147.4 | 0 | 0 | 111.7 | I242 L248 F249 K250 F257 | I242-E246 HydrophobicContact CG1-CG 4.23Å; I242-E246 WeakPolarHBondContact O-CG 3.33Å; I242-E246 PolarHBondContact O-N 2.69Å; E246-L248 PolarHBondContact O-N 3.42Å; E246-F249 CarbonylContact O-C 3.51Å; E246-F249 WeakPolarHBondContact O-CA 3.4Å; E246-F249 PolarHBondContact O-N 3.06Å; E246-K250 HydrophobicContact CB-CD 4.41Å; E246-K250 WeakPolarHBondContact O-CG 3.34Å; E246-K250 PolarHBondContact O-N 3.36Å; E246-K250 VanDerWaalsContact O-N 3.1Å; E246-K250 VanDerWaalsContact OE2-CE 3.31Å; E246-K250 WeakPolarHBondContact OE2-CE 3.25Å; E246-K250 IonicContact OE2-NZ 4Å; E246-K250 PolarHBondContact OE2-NZ 3.2Å; E246-F257 HydrophobicContact CB-CE1 4.44Å; E246-F257 HydrophobicContact CB-CZ 4.06Å; E246-F257 HydrophobicContact CG-CE1 4.49Å; E246-F257 HydrophobicContact CG-CE2 4.45Å; E246-F257 HydrophobicContact CG-CZ 3.68Å |
| 247 | A | 86.3 | Confident | 82.5 | Confident | 55 Ų | 55 | 71.3 Ų | 71.3 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.2 | -27.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E243 E244 V245 F249 K250 | E243-A247 WeakPolarHBondContact O-CB 3.18Å; E243-A247 PolarHBondContact O-N 3.31Å; E244-A247 WeakPolarHBondContact O-CB 3.26Å; E244-A247 PolarHBondContact O-N 3.28Å; V245-A247 VanDerWaalsContact C-N 3.31Å; A247-F249 PolarHBondContact O-N 3.08Å; A247-K250 PolarHBondContact O-N 2.93Å |
| 248 | L | 83.7 | Confident | 82.7 | Confident | 17 Ų | 17 | 75.5 Ų | 75.5 | 9% | 0.089 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17.5 | 169.5 | -62.5 | 179.3 | 0 | 0 | 0 | 114.1 | L233 E244 V245 E246 Y284 L285 V289 F292 I297 | L233-L248 HydrophobicContact CD1-CD1 3.82Å; E244-L248 PolarHBondContact O-N 3.13Å; V245-L248 WeakPolarHBondContact O-CB 3.46Å; V245-L248 PolarHBondContact O-N 3.19Å; E246-L248 PolarHBondContact O-N 3.42Å; L248-Y284 WeakPolarHBondContact O-CE1 3.17Å; L248-L285 HydrophobicContact CB-CD2 4.25Å; L248-L285 HydrophobicContact CD1-CD2 4.46Å; L248-V289 HydrophobicContact CD2-CG1 3.6Å; L248-V289 HydrophobicContact CD2-CG2 4.33Å; L248-F292 HydrophobicContact CD1-CD2 4.14Å; L248-F292 HydrophobicContact CD1-CE2 4.42Å; L248-F292 HydrophobicContact CD1-CG 4.43Å; L248-F292 HydrophobicContact CD2-CD2 3.6Å; L248-F292 HydrophobicContact CD2-CE2 4.13Å; L248-F292 HydrophobicContact CD2-CG 4.39Å; L248-F292 HydrophobicContact CG-CD2 4.17Å; L248-F292 HydrophobicContact CG-CE2 4.34Å; L248-I297 HydrophobicContact CD1-CD1 3.58Å |
| 249 | F | 84.4 | Confident | 82.8 | Confident | 11 Ų | 11 | 72.4 Ų | 72.4 | 5% | 0.048 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -0.9 | 178.8 | -53.2 | -84.8 | 0 | 0 | 0 | 113 | L233 V245 E246 A247 G251 L254 F257 I270 F272 A281 L285 | L233-F249 HydrophobicContact CD1-CE2 4.41Å; L233-F249 HydrophobicContact CD1-CZ 4.45Å; V245-F249 WeakPolarHBondContact O-CD2 3.23Å; V245-F249 WeakPolarHBondContact O-CE2 3.37Å; E246-F249 CarbonylContact O-C 3.51Å; E246-F249 WeakPolarHBondContact O-CA 3.4Å; E246-F249 PolarHBondContact O-N 3.06Å; A247-F249 PolarHBondContact O-N 3.08Å; F249-G251 PolarHBondContact O-N 3.31Å; F249-L254 HydrophobicContact CD1-CD2 4.09Å; F249-L254 WeakPolarHBondContact O-CB 3.29Å; F249-F257 HydrophobicContact CB-CD1 4.12Å; F249-F257 HydrophobicContact CB-CE1 4.07Å; F249-F257 HydrophobicContact CD2-CD1 4.38Å; F249-F257 HydrophobicContact CD2-CE1 4.36Å; F249-F257 HydrophobicContact CG-CD1 4.28Å; F249-F257 HydrophobicContact CG-CE1 4.47Å; F249-I270 HydrophobicContact CE2-CB 4.48Å; F249-I270 HydrophobicContact CE2-CD1 3.99Å; F249-I270 HydrophobicContact CE2-CG1 3.75Å; F249-I270 HydrophobicContact CE2-CG2 4.32Å; F249-I270 HydrophobicContact CZ-CB 4.23Å; F249-I270 HydrophobicContact CZ-CD1 3.86Å; F249-I270 HydrophobicContact CZ-CG1 3.84Å; F249-I270 HydrophobicContact CZ-CG2 4.22Å; F249-F272 AromaticContact CD1-CZ 3.83Å; F249-F272 HydrophobicContact CD1-CZ 3.83Å; F249-F272 HydrophobicContact CE1-CE2 4.44Å; F249-F272 AromaticContact CE1-CZ 3.83Å; F249-F272 HydrophobicContact CE1-CZ 3.83Å; F249-A281 HydrophobicContact CD1-CB 4.13Å; F249-A281 HydrophobicContact CE1-CB 4.13Å; F249-L285 HydrophobicContact CE1-CD1 3.65Å; F249-L285 HydrophobicContact CE1-CD2 4.31Å; F249-L285 HydrophobicContact CE1-CG 4.11Å; F249-L285 HydrophobicContact CZ-CD1 3.82Å; F249-L285 HydrophobicContact CZ-CD2 4.25Å; F249-L285 HydrophobicContact CZ-CG 4.42Å |
| 250 | K | 75.1 | Confident | 83 | Confident | 133 Ų | 133 | 68 Ų | 68 | 58% | 0.578 | 35% | 0.352 | S | S | * | . | trans | -84.9 | 55.7 | 177.2 | -72.7 | 169 | -176.3 | 158.6 | 0 | 111.5 | E246 A247 | E246-K250 HydrophobicContact CB-CD 4.41Å; E246-K250 WeakPolarHBondContact O-CG 3.34Å; E246-K250 PolarHBondContact O-N 3.36Å; E246-K250 VanDerWaalsContact O-N 3.1Å; E246-K250 VanDerWaalsContact OE2-CE 3.31Å; E246-K250 WeakPolarHBondContact OE2-CE 3.25Å; E246-K250 IonicContact OE2-NZ 4Å; E246-K250 PolarHBondContact OE2-NZ 3.2Å; A247-K250 PolarHBondContact O-N 2.93Å | ||
| 251 | G | 70.8 | Confident | 83.2 | Confident | 19 Ų | 19 | 72.8 Ų | 72.8 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -121.5 | 155.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F249 N253 L254 | F249-G251 PolarHBondContact O-N 3.31Å; G251-N253 PolarHBondContact O-N 3.41Å; G251-L254 PolarHBondContact O-N 3.07Å; G251-L254 VanDerWaalsContact O-N 3.07Å |
| 252 | N | 69.3 | Low | 83.3 | Confident | 167 Ų | 167 | 71.7 Ų | 71.7 | 89% | 0.893 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.6 | -163.4 | -58.2 | 5.9 | 0 | 0 | 0 | 115.6 | ||
| 253 | N | 67.8 | Low | 83.2 | Confident | 125 Ų | 125 | 68.5 Ų | 68.5 | 67% | 0.668 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | 18.9 | -178.8 | -60.6 | -61.8 | 0 | 0 | 0 | 112.6 | G251 Q280 | G251-N253 PolarHBondContact O-N 3.41Å; N253-Q280 PolarHBondContact O-NE2 3.22Å |
| 254 | L | 81.3 | Confident | 82.9 | Confident | 26 Ų | 26 | 71 Ų | 71 | 14% | 0.136 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -100.4 | 135.6 | -179.5 | -78.8 | 130.1 | 0 | 0 | 0 | 112.4 | F249 G251 A281 Y284 | F249-L254 HydrophobicContact CD1-CD2 4.09Å; F249-L254 WeakPolarHBondContact O-CB 3.29Å; G251-L254 PolarHBondContact O-N 3.07Å; G251-L254 VanDerWaalsContact O-N 3.07Å; L254-A281 HydrophobicContact CD2-CB 4Å; L254-Y284 HydrophobicContact CD1-CD1 3.68Å; L254-Y284 HydrophobicContact CD1-CD2 3.94Å; L254-Y284 HydrophobicContact CD1-CE1 3.57Å; L254-Y284 HydrophobicContact CD1-CE2 3.83Å; L254-Y284 HydrophobicContact CD1-CG 3.87Å; L254-Y284 HydrophobicContact CD2-CD1 3.8Å; L254-Y284 HydrophobicContact CD2-CE1 4.48Å; L254-Y284 HydrophobicContact CD2-CG 3.89Å; L254-Y284 HydrophobicContact CG-CD1 4.21Å; L254-Y284 HydrophobicContact CG-CD2 4.39Å; L254-Y284 HydrophobicContact CG-CG 4.13Å |
| 255 | P | 82.7 | Confident | 82.8 | Confident | 20 Ų | 20 | 74.2 Ų | 74.2 | 13% | 0.13 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 154.3 | 171.9 | 31.2 | -35 | 0 | 0 | 0 | 110.4 | F272 D277 A281 | P255-F272 HydrophobicContact CB-CD1 4.38Å; P255-F272 HydrophobicContact CG-CD1 3.95Å; P255-F272 HydrophobicContact CG-CE1 4.03Å; P255-F272 WeakPolarHBondContact O-CE1 3.36Å; P255-D277 HydrophobicContact CB-CB 3.59Å; P255-D277 HydrophobicContact CG-CB 3.51Å; P255-D277 WeakPolarHBondContact CG-O 3.31Å; P255-A281 HydrophobicContact CG-CB 4.48Å |
| 256 | K | 84.4 | Confident | 82.9 | Confident | 190 Ų | 190 | 78 Ų | 78 | 83% | 0.826 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 135 | 177.2 | -64.9 | 177.1 | -176.8 | 173.7 | 0 | 109.9 | ||
| 257 | F | 87.7 | Confident | 83.1 | Confident | 50 Ų | 50 | 76.4 Ų | 76.4 | 22% | 0.219 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 146.8 | 168.1 | 55.8 | -93.1 | 0 | 0 | 0 | 110.4 | E246 F249 C260 I270 T271 F272 | E246-F257 HydrophobicContact CB-CE1 4.44Å; E246-F257 HydrophobicContact CB-CZ 4.06Å; E246-F257 HydrophobicContact CG-CE1 4.49Å; E246-F257 HydrophobicContact CG-CE2 4.45Å; E246-F257 HydrophobicContact CG-CZ 3.68Å; F249-F257 HydrophobicContact CB-CD1 4.12Å; F249-F257 HydrophobicContact CB-CE1 4.07Å; F249-F257 HydrophobicContact CD2-CD1 4.38Å; F249-F257 HydrophobicContact CD2-CE1 4.36Å; F249-F257 HydrophobicContact CG-CD1 4.28Å; F249-F257 HydrophobicContact CG-CE1 4.47Å; F257-C260 HydrophobicContact CD2-CB 3.93Å; F257-C260 HydrophobicContact CE2-CB 3.78Å; F257-I270 HydrophobicContact CB-CG2 3.32Å; F257-I270 HydrophobicContact CD1-CG2 4.04Å; F257-I270 HydrophobicContact CD2-CG2 4.37Å; F257-I270 HydrophobicContact CG-CG2 3.66Å; F257-T271 CarbonylContact C-O 3.57Å; F257-F272 HydrophobicContact CB-CD1 4.08Å; F257-F272 HydrophobicContact CB-CE1 3.86Å; F257-F272 HydrophobicContact CB-CZ 4.11Å |
| 258 | I | 87.6 | Confident | 83.4 | Confident | 120 Ų | 120 | 74.3 Ų | 74.3 | 62% | 0.615 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | -37.1 | 175.1 | -61.8 | 177.6 | 0 | 0 | 0 | 110.8 | T271 E273 | I258-T271 PolarHBondContact N-O 3.29Å; I258-E273 HydrophobicContact CD1-CB 3.8Å; I258-E273 HydrophobicContact CD1-CG 4.09Å; I258-E273 HydrophobicContact CG1-CB 4.36Å |
| 259 | N | 85.4 | Confident | 83.8 | Confident | 67 Ų | 67 | 76.1 Ų | 76.1 | 36% | 0.358 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 143.4 | -178.6 | -176.2 | 31.3 | 0 | 0 | 0 | 110.6 | E261 I270 T271 | N259-E261 PolarHBondContact ND2-OE2 3.49Å; N259-E261 VanDerWaalsContact ND2-OE2 3.15Å; N259-I270 CarbonylContact O-C 3.26Å; N259-I270 WeakPolarHBondContact O-CA 3.45Å; N259-T271 PolarHBondContact N-O 3.42Å; N259-T271 PolarHBondContact O-N 3.29Å |
| 260 | C | 88.7 | Confident | 84.1 | Confident | 14 Ų | 14 | 75.6 Ų | 75.6 | 10% | 0.095 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 106.6 | 171.5 | -175.3 | 0 | 0 | 0 | 0 | 108 | I242 F257 | I242-C260 HydrophobicContact CD1-CB 4.25Å; F257-C260 HydrophobicContact CD2-CB 3.93Å; F257-C260 HydrophobicContact CE2-CB 3.78Å |
| 261 | E | 89.1 | Confident | 84.8 | Confident | 105 Ų | 105 | 70.3 Ų | 70.3 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.5 | -169.2 | -175.5 | -177.9 | 154.8 | 0 | 0 | 110.1 | N259 A263 F269 | N259-E261 PolarHBondContact ND2-OE2 3.49Å; N259-E261 VanDerWaalsContact ND2-OE2 3.15Å; E261-A263 PolarHBondContact O-N 3.03Å; E261-F269 PolarHBondContact N-O 3.35Å; E261-F269 PolarHBondContact O-N 3.42Å |
| 262 | F | 89.1 | Confident | 85.7 | Confident | 40 Ų | 40 | 69.6 Ų | 69.6 | 18% | 0.175 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 127.9 | 170.2 | -178.8 | -109.5 | 0 | 0 | 0 | 110.1 | E238 N267 W268 | E238-F262 HydrophobicContact CB-CD1 3.95Å; E238-F262 HydrophobicContact CB-CD2 4.38Å; E238-F262 HydrophobicContact CB-CE1 3.56Å; E238-F262 HydrophobicContact CB-CE2 4.02Å; E238-F262 HydrophobicContact CB-CG 4.34Å; E238-F262 HydrophobicContact CB-CZ 3.6Å; E238-F262 VanDerWaalsContact CD-CE1 3.48Å; E238-F262 HydrophobicContact CG-CD1 3.53Å; E238-F262 HydrophobicContact CG-CE1 3.61Å; E238-F262 HydrophobicContact CG-CG 4.03Å; E238-F262 HydrophobicContact CG-CZ 4.16Å; E238-F262 VanDerWaalsContact OE2-CE1 3.27Å; E238-F262 WeakPolarHBondContact OE2-CE1 3.37Å; F262-N267 WeakPolarHBondContact CD2-O 3.41Å; F262-N267 WeakPolarHBondContact CE2-O 3.4Å; F262-W268 HydrophobicContact CB-CD2 4.28Å; F262-W268 HydrophobicContact CB-CE3 4.22Å; F262-W268 HydrophobicContact CB-CH2 4.26Å; F262-W268 HydrophobicContact CB-CZ2 4.3Å; F262-W268 HydrophobicContact CB-CZ3 4.21Å; F262-W268 AromaticContact CD2-CD1 3.78Å; F262-W268 AromaticContact CD2-CD2 3.96Å; F262-W268 HydrophobicContact CD2-CD2 3.96Å; F262-W268 AromaticContact CD2-CE2 3.54Å; F262-W268 HydrophobicContact CD2-CG 4.13Å; F262-W268 HydrophobicContact CD2-CZ2 4.01Å; F262-W268 AromaticContact CD2-NE1 3.42Å; F262-W268 AromaticContact CE2-NE1 3.82Å; F262-W268 HydrophobicContact CG-CZ2 4.49Å |
| 263 | A | 85.6 | Confident | 86.4 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | E261 N267 F269 | E261-A263 PolarHBondContact O-N 3.03Å; A263-N267 CarbonylContact C-O 3.43Å; A263-N267 HydrophobicContact CB-CB 4.06Å; A263-N267 PolarHBondContact N-O 3.3Å; A263-N267 CarbonylContact O-C 3.59Å; A263-N267 WeakPolarHBondContact O-CA 3.3Å; A263-N267 WeakPolarHBondContact O-CB 3.19Å; A263-N267 PolarHBondContact O-N 2.97Å; A263-F269 HydrophobicContact CB-CD1 3.68Å; A263-F269 HydrophobicContact CB-CD2 3.71Å; A263-F269 HydrophobicContact CB-CE1 3.48Å; A263-F269 VanDerWaalsContact CB-CE1 3.48Å; A263-F269 HydrophobicContact CB-CE2 3.52Å; A263-F269 HydrophobicContact CB-CG 3.8Å; A263-F269 HydrophobicContact CB-CZ 3.4Å; A263-F269 VanDerWaalsContact CB-CZ 3.4Å |
| 264 | Y | 81.6 | Confident | 87.2 | Confident | 190 Ų | 190 | 65.1 Ų | 65.1 | 75% | 0.745 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.7 | 149.3 | -176.6 | -50.4 | -71.4 | 0 | 0 | 0 | 113.7 | N267 | Y264-N267 PolarHBondContact O-ND2 2.85Å; Y264-N267 VanDerWaalsContact O-ND2 3.16Å |
| 265 | N | 85.6 | Confident | 87.5 | Confident | 147 Ų | 147 | 65.3 Ų | 65.3 | 79% | 0.786 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 46.4 | -172.3 | -40.5 | -94.8 | 0 | 0 | 0 | 114 | N267 | N265-N267 VanDerWaalsContact C-N 3.29Å; N265-N267 PolarHBondContact O-N 2.96Å; N265-N267 PolarHBondContact O-ND2 3.12Å |
| 266 | D | 87.9 | Confident | 87.8 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 43% | 0.428 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 40.4 | 177.3 | -53.7 | -31.9 | 0 | 0 | 0 | 114.1 | R234 E235 V236 | R234-D266 CarbonylContact C-O 3.57Å; R234-D266 WeakPolarHBondContact CA-O 3.39Å; E235-D266 PolarHBondContact N-O 2.94Å; V236-D266 PolarHBondContact N-O 3.38Å; V236-D266 CarbonylContact O-C 3.57Å |
| 267 | N | 91 | Very high | 88.1 | Confident | 18 Ų | 18 | 60 Ų | 60 | 10% | 0.096 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 146.7 | 172.1 | -58.5 | -101.3 | 0 | 0 | 0 | 109.8 | I232 L233 F262 A263 Y264 N265 F269 R300 | I232-N267 HydrophobicContact CG2-CB 4.01Å; L233-N267 WeakPolarHBondContact O-CA 3.35Å; F262-N267 WeakPolarHBondContact CD2-O 3.41Å; F262-N267 WeakPolarHBondContact CE2-O 3.4Å; A263-N267 CarbonylContact C-O 3.43Å; A263-N267 HydrophobicContact CB-CB 4.06Å; A263-N267 PolarHBondContact N-O 3.3Å; A263-N267 CarbonylContact O-C 3.59Å; A263-N267 WeakPolarHBondContact O-CA 3.3Å; A263-N267 WeakPolarHBondContact O-CB 3.19Å; A263-N267 PolarHBondContact O-N 2.97Å; Y264-N267 PolarHBondContact O-ND2 2.85Å; Y264-N267 VanDerWaalsContact O-ND2 3.16Å; N265-N267 VanDerWaalsContact C-N 3.29Å; N265-N267 PolarHBondContact O-N 2.96Å; N265-N267 PolarHBondContact O-ND2 3.12Å; N267-F269 HydrophobicContact CB-CD1 4.32Å; N267-F269 HydrophobicContact CB-CE1 3.88Å; N267-R300 PolarHBondContact OD1-NH2 3.48Å |
| 268 | W | 92.1 | Very high | 88.3 | Confident | 12 Ų | 12 | 57.6 Ų | 57.6 | 5% | 0.045 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.3 | 162.9 | -69.2 | 70.4 | 0 | 0 | 0 | 108.2 | I232 L233 V236 T240 I242 V245 F262 I270 | I232-W268 CarbonylContact C-O 3.54Å; I232-W268 VanDerWaalsContact CA-O 3.23Å; I232-W268 WeakPolarHBondContact CA-O 3.35Å; L233-W268 HydrophobicContact CB-CB 4.23Å; L233-W268 HydrophobicContact CD1-CB 4.41Å; L233-W268 PolarHBondContact N-O 2.97Å; L233-W268 PolarHBondContact O-N 3.32Å; L233-W268 VanDerWaalsContact O-N 3.11Å; V236-W268 PolarHBondContact O-NE1 3.47Å; V236-W268 VanDerWaalsContact O-NE1 3.14Å; T240-W268 WeakPolarHBondContact O-CZ2 3.42Å; I242-W268 HydrophobicContact CB-CH2 4.21Å; I242-W268 HydrophobicContact CB-CZ3 4.1Å; I242-W268 HydrophobicContact CD1-CZ3 4.33Å; I242-W268 HydrophobicContact CG1-CZ3 3.94Å; V245-W268 HydrophobicContact CB-CD2 4.39Å; V245-W268 HydrophobicContact CB-CE3 4.26Å; V245-W268 HydrophobicContact CB-CZ3 4.44Å; V245-W268 HydrophobicContact CG1-CB 4.34Å; V245-W268 HydrophobicContact CG1-CD2 3.99Å; V245-W268 HydrophobicContact CG1-CE3 3.98Å; V245-W268 HydrophobicContact CG1-CG 4.17Å; V245-W268 HydrophobicContact CG2-CD2 3.86Å; V245-W268 HydrophobicContact CG2-CE3 4.09Å; V245-W268 HydrophobicContact CG2-CG 4.47Å; V245-W268 HydrophobicContact CG2-CH2 4.04Å; V245-W268 HydrophobicContact CG2-CZ2 3.82Å; V245-W268 HydrophobicContact CG2-CZ3 4.17Å; F262-W268 HydrophobicContact CB-CD2 4.28Å; F262-W268 HydrophobicContact CB-CE3 4.22Å; F262-W268 HydrophobicContact CB-CH2 4.26Å; F262-W268 HydrophobicContact CB-CZ2 4.3Å; F262-W268 HydrophobicContact CB-CZ3 4.21Å; F262-W268 AromaticContact CD2-CD1 3.78Å; F262-W268 AromaticContact CD2-CD2 3.96Å; F262-W268 HydrophobicContact CD2-CD2 3.96Å; F262-W268 AromaticContact CD2-CE2 3.54Å; F262-W268 HydrophobicContact CD2-CG 4.13Å; F262-W268 HydrophobicContact CD2-CZ2 4.01Å; F262-W268 AromaticContact CD2-NE1 3.42Å; F262-W268 AromaticContact CE2-NE1 3.82Å; F262-W268 HydrophobicContact CG-CZ2 4.49Å; W268-I270 HydrophobicContact CB-CD1 3.96Å |
| 269 | F | 91.8 | Very high | 88.4 | Confident | 55 Ų | 55 | 56.3 Ų | 56.3 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 105.5 | 178.1 | -66.5 | -4.1 | 0 | 0 | 0 | 108.6 | I230 I232 E261 A263 N267 | I230-F269 HydrophobicContact CG2-CB 4.16Å; I232-F269 HydrophobicContact CB-CD1 4.12Å; I232-F269 HydrophobicContact CB-CE1 4.35Å; I232-F269 HydrophobicContact CD1-CD1 3.88Å; I232-F269 HydrophobicContact CD1-CE1 3.64Å; I232-F269 HydrophobicContact CD1-CZ 4.31Å; I232-F269 HydrophobicContact CG1-CD1 3.57Å; I232-F269 HydrophobicContact CG1-CE1 3.84Å; I232-F269 HydrophobicContact CG1-CG 4.4Å; I232-F269 HydrophobicContact CG2-CD1 3.73Å; I232-F269 HydrophobicContact CG2-CE1 3.67Å; E261-F269 PolarHBondContact N-O 3.35Å; E261-F269 PolarHBondContact O-N 3.42Å; A263-F269 HydrophobicContact CB-CD1 3.68Å; A263-F269 HydrophobicContact CB-CD2 3.71Å; A263-F269 HydrophobicContact CB-CE1 3.48Å; A263-F269 VanDerWaalsContact CB-CE1 3.48Å; A263-F269 HydrophobicContact CB-CE2 3.52Å; A263-F269 HydrophobicContact CB-CG 3.8Å; A263-F269 HydrophobicContact CB-CZ 3.4Å; A263-F269 VanDerWaalsContact CB-CZ 3.4Å; N267-F269 HydrophobicContact CB-CD1 4.32Å; N267-F269 HydrophobicContact CB-CE1 3.88Å |
| 270 | I | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116.8 | 176.9 | -56.2 | 91.6 | 0 | 0 | 0 | 107.4 | I230 V231 L233 F249 F257 N259 W268 F272 | I230-I270 CarbonylContact C-O 3.55Å; I230-I270 WeakPolarHBondContact CA-O 3.42Å; V231-I270 PolarHBondContact N-O 2.97Å; V231-I270 PolarHBondContact O-N 3.2Å; L233-I270 HydrophobicContact CD1-CD1 3.82Å; L233-I270 HydrophobicContact CG-CD1 3.68Å; F249-I270 HydrophobicContact CE2-CB 4.48Å; F249-I270 HydrophobicContact CE2-CD1 3.99Å; F249-I270 HydrophobicContact CE2-CG1 3.75Å; F249-I270 HydrophobicContact CE2-CG2 4.32Å; F249-I270 HydrophobicContact CZ-CB 4.23Å; F249-I270 HydrophobicContact CZ-CD1 3.86Å; F249-I270 HydrophobicContact CZ-CG1 3.84Å; F249-I270 HydrophobicContact CZ-CG2 4.22Å; F257-I270 HydrophobicContact CB-CG2 3.32Å; F257-I270 HydrophobicContact CD1-CG2 4.04Å; F257-I270 HydrophobicContact CD2-CG2 4.37Å; F257-I270 HydrophobicContact CG-CG2 3.66Å; N259-I270 CarbonylContact O-C 3.26Å; N259-I270 WeakPolarHBondContact O-CA 3.45Å; W268-I270 HydrophobicContact CB-CD1 3.96Å; I270-F272 HydrophobicContact CB-CE2 4.13Å; I270-F272 HydrophobicContact CG2-CD2 4.31Å; I270-F272 HydrophobicContact CG2-CE2 3.52Å; I270-F272 HydrophobicContact CG2-CZ 3.64Å |
| 271 | T | 89.6 | Confident | 88.8 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 14% | 0.135 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122 | -178 | -52.4 | 0 | 0 | 0 | 0 | 109.5 | C229 I230 F257 I258 N259 | C229-T271 CarbonylContact O-C 3.41Å; C229-T271 WeakPolarHBondContact O-CA 3.18Å; I230-T271 HydrophobicContact CG1-CG2 4.19Å; F257-T271 CarbonylContact C-O 3.57Å; I258-T271 PolarHBondContact N-O 3.29Å; N259-T271 PolarHBondContact N-O 3.42Å; N259-T271 PolarHBondContact O-N 3.29Å |
| 272 | F | 89.6 | Confident | 88.9 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.013 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 174.5 | 175.2 | -64.4 | -91.7 | 0 | 0 | 0 | 111.3 | C229 V231 F249 P255 F257 I270 D277 A278 A281 | C229-F272 WeakPolarHBondContact CB-O 3.28Å; C229-F272 PolarHBondContact O-N 2.77Å; V231-F272 HydrophobicContact CB-CE2 3.99Å; V231-F272 HydrophobicContact CG2-CD2 4Å; V231-F272 HydrophobicContact CG2-CE2 3.58Å; F249-F272 AromaticContact CD1-CZ 3.83Å; F249-F272 HydrophobicContact CD1-CZ 3.83Å; F249-F272 HydrophobicContact CE1-CE2 4.44Å; F249-F272 AromaticContact CE1-CZ 3.83Å; F249-F272 HydrophobicContact CE1-CZ 3.83Å; P255-F272 HydrophobicContact CB-CD1 4.38Å; P255-F272 HydrophobicContact CG-CD1 3.95Å; P255-F272 HydrophobicContact CG-CE1 4.03Å; P255-F272 WeakPolarHBondContact O-CE1 3.36Å; F257-F272 HydrophobicContact CB-CD1 4.08Å; F257-F272 HydrophobicContact CB-CE1 3.86Å; F257-F272 HydrophobicContact CB-CZ 4.11Å; I270-F272 HydrophobicContact CB-CE2 4.13Å; I270-F272 HydrophobicContact CG2-CD2 4.31Å; I270-F272 HydrophobicContact CG2-CE2 3.52Å; I270-F272 HydrophobicContact CG2-CZ 3.64Å; F272-D277 HydrophobicContact CB-CB 3.8Å; F272-D277 HydrophobicContact CD1-CB 4.09Å; F272-D277 HydrophobicContact CG-CB 4.18Å; F272-A278 HydrophobicContact CB-CB 4.22Å; F272-A278 HydrophobicContact CD2-CB 3.86Å; F272-A278 HydrophobicContact CG-CB 4.27Å; F272-A281 HydrophobicContact CE1-CB 3.74Å; F272-A281 HydrophobicContact CE2-CB 3.87Å; F272-A281 HydrophobicContact CZ-CB 3.34Å |
| 273 | E | 84.4 | Confident | 88.9 | Confident | 152 Ų | 152 | 58.2 Ų | 58.2 | 71% | 0.71 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -77 | -58.9 | 175.3 | -165.5 | 163.7 | 179.2 | 0 | 0 | 110.6 | C229 I258 | C229-E273 PolarHBondContact SG-O 3.17Å; C229-E273 VanDerWaalsContact SG-O 3.32Å; I258-E273 HydrophobicContact CD1-CB 3.8Å; I258-E273 HydrophobicContact CD1-CG 4.09Å; I258-E273 HydrophobicContact CG1-CB 4.36Å |
| 274 | S | 84.6 | Confident | 89.1 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 33% | 0.329 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -94.1 | 159.5 | 178.2 | -169.9 | 0 | 0 | 0 | 0 | 113.8 | A276 D277 A278 | S274-A276 VanDerWaalsContact C-N 3.32Å; S274-A276 PolarHBondContact OG-N 3.37Å; S274-D277 WeakPolarHBondContact CB-OD2 2.97Å; S274-D277 PolarHBondContact N-OD2 2.89Å; S274-A278 PolarHBondContact O-N 3.27Å |
| 275 | E | 87.6 | Confident | 89.5 | Confident | 29 Ų | 29 | 51.3 Ų | 51.3 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.7 | -33.9 | 164 | 175.1 | 162.6 | 176.2 | 0 | 0 | 110.8 | N227 R228 C229 D277 A278 Q279 | N227-E275 WeakPolarHBondContact CA-OE2 3.45Å; N227-E275 HydrophobicContact CB-CB 4.41Å; R228-E275 VanDerWaalsContact CB-CD 3.48Å; R228-E275 HydrophobicContact CB-CG 4.06Å; R228-E275 WeakPolarHBondContact CG-OE1 3.23Å; R228-E275 WeakPolarHBondContact CG-OE2 3.3Å; R228-E275 IonicContact CZ-OE1 3.98Å; R228-E275 PolarHBondContact N-OE2 3.07Å; R228-E275 IonicContact NH1-OE1 3.93Å; R228-E275 PolarHBondContact NH1-OE1 2.81Å; C229-E275 PolarHBondContact SG-N 2.94Å; E275-D277 VanDerWaalsContact C-N 3.28Å; E275-D277 PolarHBondContact O-N 3.34Å; E275-A278 PolarHBondContact O-N 3.27Å; E275-Q279 HydrophobicContact CG-CG 4.13Å; E275-Q279 WeakPolarHBondContact O-CB 3.5Å; E275-Q279 VanDerWaalsContact O-CG 3.31Å; E275-Q279 WeakPolarHBondContact O-CG 3.36Å; E275-Q279 PolarHBondContact O-N 2.68Å; E275-Q279 PolarHBondContact OE1-NE2 3.39Å |
| 276 | A | 88.8 | Confident | 89.5 | Confident | 59 Ų | 59 | 49.5 Ų | 49.5 | 49% | 0.488 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S274 Q279 Q280 | S274-A276 VanDerWaalsContact C-N 3.32Å; S274-A276 PolarHBondContact OG-N 3.37Å; A276-Q279 PolarHBondContact O-N 3.05Å; A276-Q280 WeakPolarHBondContact O-CB 3.33Å; A276-Q280 PolarHBondContact O-N 3.23Å |
| 277 | D | 91.3 | Very high | 89.3 | Confident | 40 Ų | 40 | 51.7 Ų | 51.7 | 21% | 0.214 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 177.1 | -60.3 | -22 | 0 | 0 | 0 | 111.8 | P255 F272 S274 E275 Q279 Q280 A281 | P255-D277 HydrophobicContact CB-CB 3.59Å; P255-D277 HydrophobicContact CG-CB 3.51Å; P255-D277 WeakPolarHBondContact CG-O 3.31Å; F272-D277 HydrophobicContact CB-CB 3.8Å; F272-D277 HydrophobicContact CD1-CB 4.09Å; F272-D277 HydrophobicContact CG-CB 4.18Å; S274-D277 WeakPolarHBondContact CB-OD2 2.97Å; S274-D277 PolarHBondContact N-OD2 2.89Å; E275-D277 VanDerWaalsContact C-N 3.28Å; E275-D277 PolarHBondContact O-N 3.34Å; D277-Q279 VanDerWaalsContact C-N 3.3Å; D277-Q279 PolarHBondContact O-N 2.87Å; D277-Q280 PolarHBondContact O-N 3.15Å; D277-A281 WeakPolarHBondContact O-CB 3.44Å; D277-A281 PolarHBondContact O-N 2.9Å |
| 278 | A | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.9 | -33.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | R228 V231 F272 S274 E275 Y282 | R228-A278 WeakPolarHBondContact O-CB 3.46Å; V231-A278 HydrophobicContact CG2-CB 4.03Å; V231-A278 VanDerWaalsContact CG2-O 3.26Å; V231-A278 WeakPolarHBondContact CG2-O 3.28Å; F272-A278 HydrophobicContact CB-CB 4.22Å; F272-A278 HydrophobicContact CD2-CB 3.86Å; F272-A278 HydrophobicContact CG-CB 4.27Å; S274-A278 PolarHBondContact O-N 3.27Å; E275-A278 PolarHBondContact O-N 3.27Å; A278-Y282 WeakPolarHBondContact O-CB 3.31Å; A278-Y282 PolarHBondContact O-N 3.34Å |
| 279 | Q | 90.8 | Very high | 88 | Confident | 93 Ų | 93 | 57.7 Ų | 57.7 | 44% | 0.435 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.2 | -46.1 | 172.8 | -72.3 | -179.4 | 16.4 | 0 | 0 | 111.5 | E275 A276 D277 Y282 Q283 I301 | E275-Q279 HydrophobicContact CG-CG 4.13Å; E275-Q279 WeakPolarHBondContact O-CB 3.5Å; E275-Q279 VanDerWaalsContact O-CG 3.31Å; E275-Q279 WeakPolarHBondContact O-CG 3.36Å; E275-Q279 PolarHBondContact O-N 2.68Å; E275-Q279 PolarHBondContact OE1-NE2 3.39Å; A276-Q279 PolarHBondContact O-N 3.05Å; D277-Q279 VanDerWaalsContact C-N 3.3Å; D277-Q279 PolarHBondContact O-N 2.87Å; Q279-Y282 PolarHBondContact O-N 3.05Å; Q279-Q283 WeakPolarHBondContact O-CB 3.44Å; Q279-Q283 PolarHBondContact O-N 3.09Å; Q279-I301 HydrophobicContact CB-CD1 4.47Å; Q279-I301 HydrophobicContact CG-CD1 3.93Å |
| 280 | Q | 91.3 | Very high | 87.2 | Confident | 93 Ų | 93 | 61.7 Ų | 61.7 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 177.4 | -173.6 | 177.4 | 20.3 | 0 | 0 | 111.8 | N253 A276 D277 Y282 Q283 Y284 | N253-Q280 PolarHBondContact O-NE2 3.22Å; A276-Q280 WeakPolarHBondContact O-CB 3.33Å; A276-Q280 PolarHBondContact O-N 3.23Å; D277-Q280 PolarHBondContact O-N 3.15Å; Q280-Y282 VanDerWaalsContact C-N 3.35Å; Q280-Y282 PolarHBondContact O-N 3.2Å; Q280-Q283 PolarHBondContact O-N 2.9Å; Q280-Y284 PolarHBondContact O-N 3.44Å |
| 281 | A | 91.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F249 L254 P255 F272 D277 Q283 L285 | F249-A281 HydrophobicContact CD1-CB 4.13Å; F249-A281 HydrophobicContact CE1-CB 4.13Å; L254-A281 HydrophobicContact CD2-CB 4Å; P255-A281 HydrophobicContact CG-CB 4.48Å; F272-A281 HydrophobicContact CE1-CB 3.74Å; F272-A281 HydrophobicContact CE2-CB 3.87Å; F272-A281 HydrophobicContact CZ-CB 3.34Å; D277-A281 WeakPolarHBondContact O-CB 3.44Å; D277-A281 PolarHBondContact O-N 2.9Å; A281-Q283 VanDerWaalsContact C-N 3.34Å; A281-L285 WeakPolarHBondContact O-CD1 3.33Å; A281-L285 VanDerWaalsContact O-CG 3.24Å; A281-L285 WeakPolarHBondContact O-CG 3.48Å; A281-L285 PolarHBondContact O-N 3.2Å |
| 282 | Y | 91.2 | Very high | 86.2 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 26% | 0.263 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 172.3 | 173.5 | -100.1 | 0 | 0 | 0 | 112.6 | A278 Q279 Q280 L285 R286 A299 I301 | A278-Y282 WeakPolarHBondContact O-CB 3.31Å; A278-Y282 PolarHBondContact O-N 3.34Å; Q279-Y282 PolarHBondContact O-N 3.05Å; Q280-Y282 VanDerWaalsContact C-N 3.35Å; Q280-Y282 PolarHBondContact O-N 3.2Å; Y282-L285 PolarHBondContact O-N 3.19Å; Y282-R286 HydrophobicContact CE1-CG 4.08Å; Y282-R286 HydrophobicContact CE2-CG 4.09Å; Y282-R286 WeakPolarHBondContact O-CG 3.27Å; Y282-R286 PolarHBondContact O-N 2.75Å; Y282-R286 PolarHBondContact OH-NE 3.06Å; Y282-A299 HydrophobicContact CD2-CB 3.69Å; Y282-A299 HydrophobicContact CE2-CB 3.72Å; Y282-I301 HydrophobicContact CD1-CD1 3.75Å; Y282-I301 HydrophobicContact CD1-CG1 3.97Å; Y282-I301 HydrophobicContact CD2-CD1 4.4Å; Y282-I301 HydrophobicContact CD2-CG1 3.71Å; Y282-I301 HydrophobicContact CE2-CG1 4.39Å; Y282-I301 HydrophobicContact CG-CD1 3.67Å; Y282-I301 HydrophobicContact CG-CG1 3.47Å; Y282-I301 VanDerWaalsContact CG-CG1 3.47Å |
| 283 | Q | 89.6 | Confident | 85.7 | Confident | 105 Ų | 105 | 70.3 Ų | 70.3 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.9 | -46.4 | 179.3 | -169 | 163 | 4 | 0 | 0 | 111.2 | Q279 Q280 A281 L285 R286 E287 | Q279-Q283 WeakPolarHBondContact O-CB 3.44Å; Q279-Q283 PolarHBondContact O-N 3.09Å; Q280-Q283 PolarHBondContact O-N 2.9Å; A281-Q283 VanDerWaalsContact C-N 3.34Å; Q283-L285 VanDerWaalsContact C-N 3.33Å; Q283-L285 PolarHBondContact O-N 2.88Å; Q283-R286 WeakPolarHBondContact O-CA 3.05Å; Q283-R286 WeakPolarHBondContact O-CB 3.31Å; Q283-R286 PolarHBondContact O-N 2.89Å; Q283-E287 VanDerWaalsContact CG-CD 3.48Å; Q283-E287 HydrophobicContact CG-CG 4.28Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.42Å; Q283-E287 PolarHBondContact NE2-OE1 2.92Å; Q283-E287 PolarHBondContact O-N 3.22Å |
| 284 | Y | 89.3 | Confident | 85.5 | Confident | 56 Ų | 56 | 66.6 Ų | 66.6 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54.1 | -44.9 | 172.3 | -179.8 | -92.8 | 0 | 0 | 0 | 112.8 | L248 L254 Q280 R286 E287 E288 V289 | L248-Y284 WeakPolarHBondContact O-CE1 3.17Å; L254-Y284 HydrophobicContact CD1-CD1 3.68Å; L254-Y284 HydrophobicContact CD1-CD2 3.94Å; L254-Y284 HydrophobicContact CD1-CE1 3.57Å; L254-Y284 HydrophobicContact CD1-CE2 3.83Å; L254-Y284 HydrophobicContact CD1-CG 3.87Å; L254-Y284 HydrophobicContact CD2-CD1 3.8Å; L254-Y284 HydrophobicContact CD2-CE1 4.48Å; L254-Y284 HydrophobicContact CD2-CG 3.89Å; L254-Y284 HydrophobicContact CG-CD1 4.21Å; L254-Y284 HydrophobicContact CG-CD2 4.39Å; L254-Y284 HydrophobicContact CG-CG 4.13Å; Q280-Y284 PolarHBondContact O-N 3.44Å; Y284-R286 PolarHBondContact O-N 2.7Å; Y284-E287 PolarHBondContact O-N 2.72Å; Y284-E288 HydrophobicContact CD2-CB 3.81Å; Y284-E288 VanDerWaalsContact CD2-CD 3.44Å; Y284-E288 HydrophobicContact CD2-CG 3.94Å; Y284-E288 WeakPolarHBondContact CD2-OE1 3.35Å; Y284-E288 HydrophobicContact CE2-CB 3.66Å; Y284-E288 HydrophobicContact CE2-CG 3.96Å; Y284-E288 WeakPolarHBondContact CE2-OE1 3.22Å; Y284-E288 VanDerWaalsContact CE2-OE2 3.26Å; Y284-E288 WeakPolarHBondContact CE2-OE2 3.47Å; Y284-E288 HydrophobicContact CG-CB 4.34Å; Y284-E288 PolarHBondContact O-N 2.9Å; Y284-V289 HydrophobicContact CD1-CG2 3.68Å; Y284-V289 HydrophobicContact CE1-CG2 3.32Å; Y284-V289 PolarHBondContact O-N 3.01Å; Y284-V289 VanDerWaalsContact O-N 3.08Å |
| 285 | L | 88.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | I | π-helix | trans | -61.2 | -28.8 | 176.2 | -75.1 | 164.4 | 0 | 0 | 0 | 113.5 | V231 L233 L248 F249 A281 Y282 Q283 V289 K290 I297 A299 | V231-L285 HydrophobicContact CG1-CD1 3.64Å; L233-L285 HydrophobicContact CD2-CD1 3.59Å; L233-L285 HydrophobicContact CD2-CD2 3.84Å; L233-L285 HydrophobicContact CD2-CG 4.33Å; L248-L285 HydrophobicContact CB-CD2 4.25Å; L248-L285 HydrophobicContact CD1-CD2 4.46Å; F249-L285 HydrophobicContact CE1-CD1 3.65Å; F249-L285 HydrophobicContact CE1-CD2 4.31Å; F249-L285 HydrophobicContact CE1-CG 4.11Å; F249-L285 HydrophobicContact CZ-CD1 3.82Å; F249-L285 HydrophobicContact CZ-CD2 4.25Å; F249-L285 HydrophobicContact CZ-CG 4.42Å; A281-L285 WeakPolarHBondContact O-CD1 3.33Å; A281-L285 VanDerWaalsContact O-CG 3.24Å; A281-L285 WeakPolarHBondContact O-CG 3.48Å; A281-L285 PolarHBondContact O-N 3.2Å; Y282-L285 PolarHBondContact O-N 3.19Å; Q283-L285 VanDerWaalsContact C-N 3.33Å; Q283-L285 PolarHBondContact O-N 2.88Å; L285-V289 HydrophobicContact CD2-CB 4.43Å; L285-V289 HydrophobicContact CD2-CG2 4.14Å; L285-K290 PolarHBondContact O-N 2.79Å; L285-I297 HydrophobicContact CD2-CD1 4.2Å; L285-I297 WeakPolarHBondContact O-CG2 2.85Å; L285-A299 HydrophobicContact CB-CB 4.2Å; L285-A299 HydrophobicContact CD1-CB 4.05Å |
| 286 | R | 85.6 | Confident | 85.3 | Confident | 108 Ų | 108 | 73.2 Ų | 73.2 | 41% | 0.408 | 37% | 0.374 | S | S | . | . | I | π-helix | trans | -88.2 | -35.6 | -179.2 | -72.5 | -58 | -164.4 | 169.1 | 2.1 | 113.5 | Y282 Q283 Y284 A299 | Y282-R286 HydrophobicContact CE1-CG 4.08Å; Y282-R286 HydrophobicContact CE2-CG 4.09Å; Y282-R286 WeakPolarHBondContact O-CG 3.27Å; Y282-R286 PolarHBondContact O-N 2.75Å; Y282-R286 PolarHBondContact OH-NE 3.06Å; Q283-R286 WeakPolarHBondContact O-CA 3.05Å; Q283-R286 WeakPolarHBondContact O-CB 3.31Å; Q283-R286 PolarHBondContact O-N 2.89Å; Y284-R286 PolarHBondContact O-N 2.7Å; R286-A299 PolarHBondContact NH2-O 2.73Å |
| 287 | E | 84.6 | Confident | 85.2 | Confident | 127 Ų | 127 | 70.8 Ų | 70.8 | 59% | 0.593 | 35% | 0.353 | S | S | * | . | I | π-helix | trans | -97.3 | -50 | -172.3 | -66.8 | 177.4 | -169.5 | 0 | 0 | 112 | Q283 Y284 | Q283-E287 VanDerWaalsContact CG-CD 3.48Å; Q283-E287 HydrophobicContact CG-CG 4.28Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.42Å; Q283-E287 PolarHBondContact NE2-OE1 2.92Å; Q283-E287 PolarHBondContact O-N 3.22Å; Y284-E287 PolarHBondContact O-N 2.72Å |
| 288 | E | 79 | Confident | 85.1 | Confident | 132 Ų | 132 | 72.8 Ų | 72.8 | 62% | 0.617 | 36% | 0.36 | S | S | * | . | I | π-helix | trans | -92.9 | -55.8 | -175.2 | -66.7 | -167 | -124.4 | 0 | 0 | 113.1 | Y284 | Y284-E288 HydrophobicContact CD2-CB 3.81Å; Y284-E288 VanDerWaalsContact CD2-CD 3.44Å; Y284-E288 HydrophobicContact CD2-CG 3.94Å; Y284-E288 WeakPolarHBondContact CD2-OE1 3.35Å; Y284-E288 HydrophobicContact CE2-CB 3.66Å; Y284-E288 HydrophobicContact CE2-CG 3.96Å; Y284-E288 WeakPolarHBondContact CE2-OE1 3.22Å; Y284-E288 VanDerWaalsContact CE2-OE2 3.26Å; Y284-E288 WeakPolarHBondContact CE2-OE2 3.47Å; Y284-E288 HydrophobicContact CG-CB 4.34Å; Y284-E288 PolarHBondContact O-N 2.9Å |
| 289 | V | 77.8 | Confident | 85.1 | Confident | 23 Ų | 23 | 72.9 Ų | 72.9 | 14% | 0.139 | 36% | 0.361 | C | S | . | . | I | π-helix | trans | -62.3 | -63.2 | -178.2 | 176.8 | 0 | 0 | 0 | 0 | 109.9 | L248 Y284 L285 T291 I297 | L248-V289 HydrophobicContact CD2-CG1 3.6Å; L248-V289 HydrophobicContact CD2-CG2 4.33Å; Y284-V289 HydrophobicContact CD1-CG2 3.68Å; Y284-V289 HydrophobicContact CE1-CG2 3.32Å; Y284-V289 PolarHBondContact O-N 3.01Å; Y284-V289 VanDerWaalsContact O-N 3.08Å; L285-V289 HydrophobicContact CD2-CB 4.43Å; L285-V289 HydrophobicContact CD2-CG2 4.14Å; V289-T291 PolarHBondContact O-N 2.92Å; V289-I297 HydrophobicContact CG1-CD1 4.46Å; V289-I297 HydrophobicContact CG1-CG2 4.09Å |
| 290 | K | 73.5 | Confident | 85.1 | Confident | 140 Ų | 140 | 72.5 Ų | 72.5 | 61% | 0.609 | 36% | 0.356 | S | S | * | . | trans | 59.6 | -39.2 | 173.6 | -167.9 | 174.4 | -178.5 | 175.2 | 0 | 117 | L285 P296 I297 | L285-K290 PolarHBondContact O-N 2.79Å; K290-P296 WeakPolarHBondContact O-CA 3.48Å; K290-I297 PolarHBondContact O-N 2.85Å | ||
| 291 | T | 79.6 | Confident | 85.1 | Confident | 82 Ų | 82 | 70.5 Ų | 70.5 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 135 | 174.1 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | V289 K295 | V289-T291 PolarHBondContact O-N 2.92Å; T291-K295 CarbonylContact C-O 3.41Å; T291-K295 WeakPolarHBondContact CA-O 3.38Å |
| 292 | F | 81.3 | Confident | 84.9 | Confident | 26 Ų | 26 | 74.7 Ų | 74.7 | 11% | 0.114 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 134.6 | 173 | 177.4 | -108.8 | 0 | 0 | 0 | 109.3 | V236 T240 E244 L248 G294 K295 I297 | V236-F292 HydrophobicContact CG1-CD1 4.26Å; V236-F292 HydrophobicContact CG1-CE1 3.84Å; V236-F292 HydrophobicContact CG2-CD1 4.13Å; T240-F292 HydrophobicContact CG2-CE1 3.83Å; T240-F292 HydrophobicContact CG2-CZ 3.57Å; E244-F292 HydrophobicContact CB-CE2 4.32Å; E244-F292 HydrophobicContact CB-CZ 4.07Å; E244-F292 VanDerWaalsContact OE2-CZ 3.28Å; E244-F292 WeakPolarHBondContact OE2-CZ 3.49Å; L248-F292 HydrophobicContact CD1-CD2 4.14Å; L248-F292 HydrophobicContact CD1-CE2 4.42Å; L248-F292 HydrophobicContact CD1-CG 4.43Å; L248-F292 HydrophobicContact CD2-CD2 3.6Å; L248-F292 HydrophobicContact CD2-CE2 4.13Å; L248-F292 HydrophobicContact CD2-CG 4.39Å; L248-F292 HydrophobicContact CG-CD2 4.17Å; L248-F292 HydrophobicContact CG-CE2 4.34Å; F292-G294 PolarHBondContact O-N 3.11Å; F292-G294 VanDerWaalsContact O-N 3.09Å; F292-K295 PolarHBondContact N-O 3.44Å; F292-K295 PolarHBondContact O-N 3.29Å; F292-K295 VanDerWaalsContact O-O 3.09Å; F292-I297 HydrophobicContact CB-CB 4.28Å; F292-I297 HydrophobicContact CB-CD1 3.98Å; F292-I297 HydrophobicContact CB-CG1 4.41Å |
| 293 | Q | 79.7 | Confident | 84.4 | Confident | 97 Ų | 97 | 73 Ų | 73 | 45% | 0.453 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 37.9 | -173.1 | -60.8 | 178.3 | -2.4 | 0 | 0 | 113.2 | T240 E244 K295 | T240-Q293 PolarHBondContact OG1-NE2 3.48Å; E244-Q293 PolarHBondContact OE2-NE2 2.99Å; Q293-K295 VanDerWaalsContact C-N 3.27Å; Q293-K295 PolarHBondContact O-N 2.66Å |
| 294 | G | 79.1 | Confident | 83.6 | Confident | 74 Ų | 74 | 74 Ų | 74 | 76% | 0.763 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 1.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | F292 | F292-G294 PolarHBondContact O-N 3.11Å; F292-G294 VanDerWaalsContact O-N 3.09Å |
| 295 | K | 83.4 | Confident | 82.4 | Confident | 130 Ų | 130 | 74 Ų | 74 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 145.2 | 178.8 | -62.2 | 170.4 | -175.2 | 164.7 | 0 | 110.6 | T291 F292 Q293 I297 | T291-K295 CarbonylContact C-O 3.41Å; T291-K295 WeakPolarHBondContact CA-O 3.38Å; F292-K295 PolarHBondContact N-O 3.44Å; F292-K295 PolarHBondContact O-N 3.29Å; F292-K295 VanDerWaalsContact O-O 3.09Å; Q293-K295 VanDerWaalsContact C-N 3.27Å; Q293-K295 PolarHBondContact O-N 2.66Å; K295-I297 PolarHBondContact O-N 3.28Å |
| 296 | P | 84.2 | Confident | 81.4 | Confident | 85 Ų | 85 | 75.6 Ų | 75.6 | 55% | 0.552 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 124.1 | 179.1 | 27.6 | -34.5 | 0 | 0 | 0 | 111.7 | K290 | K290-P296 WeakPolarHBondContact O-CA 3.48Å |
| 297 | I | 86.8 | Confident | 80 | Confident | 9 Ų | 9 | 73.4 Ų | 73.4 | 5% | 0.046 | 39% | 0.392 | C | S | . | . | trans | -79.6 | 136.8 | -175.7 | -161.6 | 170.2 | 0 | 0 | 0 | 111.6 | L233 V236 L248 L285 V289 K290 F292 K295 | L233-I297 HydrophobicContact CD1-CD1 4.26Å; L233-I297 HydrophobicContact CD2-CD1 3.86Å; L233-I297 HydrophobicContact CD2-CG1 4.3Å; V236-I297 HydrophobicContact CG2-CD1 4.26Å; V236-I297 HydrophobicContact CG2-CG1 4.29Å; L248-I297 HydrophobicContact CD1-CD1 3.58Å; L285-I297 HydrophobicContact CD2-CD1 4.2Å; L285-I297 WeakPolarHBondContact O-CG2 2.85Å; V289-I297 HydrophobicContact CG1-CD1 4.46Å; V289-I297 HydrophobicContact CG1-CG2 4.09Å; K290-I297 PolarHBondContact O-N 2.85Å; F292-I297 HydrophobicContact CB-CB 4.28Å; F292-I297 HydrophobicContact CB-CD1 3.98Å; F292-I297 HydrophobicContact CB-CG1 4.41Å; K295-I297 PolarHBondContact O-N 3.28Å | ||
| 298 | K | 88.8 | Confident | 78.8 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 35% | 0.352 | 37% | 0.369 | S | S | . | . | trans | -116 | 75.2 | -173.5 | -74.8 | 176.5 | -172.7 | 145.6 | 0 | 112.9 | R234 E235 | R234-K298 HydrophobicContact CB-CB 4.05Å; R234-K298 VanDerWaalsContact CB-O 3.32Å; R234-K298 WeakPolarHBondContact CB-O 3.41Å; R234-K298 WeakPolarHBondContact CG-O 3.26Å; R234-K298 PolarHBondContact N-O 2.88Å; R234-K298 VanDerWaalsContact N-O 3.08Å; E235-K298 VanDerWaalsContact OE1-CD 3.27Å; E235-K298 WeakPolarHBondContact OE1-CD 3.34Å; E235-K298 IonicContact OE1-NZ 3.67Å; E235-K298 PolarHBondContact OE1-NZ 3.24Å; E235-K298 WeakPolarHBondContact OE2-CE 3.4Å; E235-K298 IonicContact OE2-NZ 3.18Å; E235-K298 PolarHBondContact OE2-NZ 2.85Å | ||
| 299 | A | 92.2 | Very high | 77.5 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 3% | 0.025 | 37% | 0.368 | C | S | . | . | trans | -68.7 | 154.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113 | V231 I232 L233 Y282 L285 R286 | V231-A299 HydrophobicContact CG1-CB 4.45Å; I232-A299 CarbonylContact O-C 3.51Å; I232-A299 VanDerWaalsContact O-CA 3.31Å; I232-A299 WeakPolarHBondContact O-CA 3.37Å; L233-A299 HydrophobicContact CD2-CB 4.12Å; Y282-A299 HydrophobicContact CD2-CB 3.69Å; Y282-A299 HydrophobicContact CE2-CB 3.72Å; L285-A299 HydrophobicContact CB-CB 4.2Å; L285-A299 HydrophobicContact CD1-CB 4.05Å; R286-A299 PolarHBondContact NH2-O 2.73Å | ||
| 300 | R | 91.3 | Very high | 76.2 | Confident | 85 Ų | 85 | 69.7 Ų | 69.7 | 32% | 0.321 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 151.9 | 161.5 | 62.5 | 178.7 | 159.8 | 159.9 | -7.5 | 109.1 | I232 N267 | I232-R300 HydrophobicContact CB-CG 3.69Å; I232-R300 HydrophobicContact CG1-CG 4.49Å; I232-R300 HydrophobicContact CG2-CG 4.23Å; I232-R300 PolarHBondContact N-O 2.98Å; I232-R300 PolarHBondContact O-N 3.47Å; N267-R300 PolarHBondContact OD1-NH2 3.48Å |
| 301 | I | 90.9 | Very high | 75 | Confident | 51 Ų | 51 | 71 Ų | 71 | 26% | 0.262 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 149.2 | 168.4 | -60.8 | -179.1 | 0 | 0 | 0 | 109.7 | R228 I230 Q279 Y282 | R228-I301 HydrophobicContact CB-CG2 3.47Å; R228-I301 VanDerWaalsContact CB-CG2 3.47Å; R228-I301 HydrophobicContact CG-CG2 4.41Å; R228-I301 WeakPolarHBondContact O-CG2 3.04Å; I230-I301 CarbonylContact O-C 3.51Å; Q279-I301 HydrophobicContact CB-CD1 4.47Å; Q279-I301 HydrophobicContact CG-CD1 3.93Å; Y282-I301 HydrophobicContact CD1-CD1 3.75Å; Y282-I301 HydrophobicContact CD1-CG1 3.97Å; Y282-I301 HydrophobicContact CD2-CD1 4.4Å; Y282-I301 HydrophobicContact CD2-CG1 3.71Å; Y282-I301 HydrophobicContact CE2-CG1 4.39Å; Y282-I301 HydrophobicContact CG-CD1 3.67Å; Y282-I301 HydrophobicContact CG-CG1 3.47Å; Y282-I301 VanDerWaalsContact CG-CG1 3.47Å |
| 302 | K | 86.9 | Confident | 73.5 | Confident | 88 Ų | 88 | 74 Ų | 74 | 38% | 0.383 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 146.2 | 172.9 | -167 | -160.8 | 165.7 | -169.9 | 0 | 111 | R228 I230 I232 | R228-K302 CarbonylContact C-O 3.58Å; I230-K302 WeakPolarHBondContact CB-O 3.46Å; I230-K302 PolarHBondContact N-O 3.18Å; I230-K302 PolarHBondContact O-N 2.89Å; I232-K302 HydrophobicContact CD1-CB 3.65Å; I232-K302 HydrophobicContact CD1-CD 3.58Å; I232-K302 HydrophobicContact CD1-CG 4.17Å; I232-K302 HydrophobicContact CG1-CB 4.3Å |
| 303 | A | 80.7 | Confident | 71.5 | Confident | 32 Ų | 32 | 76.9 Ų | 76.9 | 26% | 0.264 | 42% | 0.42 | S | S | . | . | trans | -65.9 | 147.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q226 R228 A305 | Q226-A303 WeakPolarHBondContact O-CB 3.08Å; R228-A303 HydrophobicContact CG-CB 4.46Å; A303-A305 VanDerWaalsContact C-N 3.26Å; A303-A305 PolarHBondContact O-N 2.99Å | ||
| 304 | K | 71.9 | Confident | 69.7 | Low | 126 Ų | 126 | 81.9 Ų | 81.9 | 55% | 0.548 | 44% | 0.441 | S | S | . | . | trans | -70.3 | 84.8 | 168.1 | -173.4 | 173.5 | -177.1 | 179.3 | 0 | 109 | I230 I306 | I230-K304 HydrophobicContact CD1-CB 3.9Å; I230-K304 HydrophobicContact CD1-CG 4.14Å; I230-K304 HydrophobicContact CG1-CB 4.32Å; K304-I306 PolarHBondContact O-N 3.12Å; K304-I306 VanDerWaalsContact O-N 3.08Å | ||
| 305 | A | 65.3 | Low | 68 | Low | 54 Ų | 54 | 84.8 Ų | 84.8 | 45% | 0.446 | 44% | 0.438 | S | S | . | . | trans | -47.5 | 115.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R163 A303 A307 | R163-A305 PolarHBondContact NE-O 2.85Å; R163-A305 PolarHBondContact NH2-O 2.85Å; A303-A305 VanDerWaalsContact C-N 3.26Å; A303-A305 PolarHBondContact O-N 2.99Å; A305-A307 PolarHBondContact O-N 3.44Å | ||
| 306 | I | 67 | Low | 65.8 | Low | 34 Ų | 34 | 82.3 Ų | 82.3 | 17% | 0.174 | 45% | 0.45 | C | S | . | . | trans | -77.7 | 108.7 | 179.5 | -51.2 | -171.4 | 0 | 0 | 0 | 106.5 | R163 P224 Q226 K304 I308 | R163-I306 HydrophobicContact CB-CG2 4.46Å; R163-I306 HydrophobicContact CG-CG2 3.95Å; P224-I306 HydrophobicContact CB-CD1 3.44Å; P224-I306 VanDerWaalsContact CB-CD1 3.44Å; P224-I306 HydrophobicContact CG-CD1 4.48Å; Q226-I306 HydrophobicContact CG-CD1 4.42Å; K304-I306 PolarHBondContact O-N 3.12Å; K304-I306 VanDerWaalsContact O-N 3.08Å; I306-I308 HydrophobicContact CB-CG1 4.4Å; I306-I308 HydrophobicContact CG2-CD1 4.15Å; I306-I308 HydrophobicContact CG2-CG1 3.63Å; I306-I308 PolarHBondContact O-N 3.38Å | ||
| 307 | A | 55.7 | Low | 63.5 | Low | 62 Ų | 62 | 88.2 Ų | 88.2 | 51% | 0.512 | 46% | 0.463 | S | S | . | . | trans | -83.5 | 55.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A167 A305 N309 | A167-A307 WeakPolarHBondContact CB-O 3.17Å; A305-A307 PolarHBondContact O-N 3.44Å; A307-N309 PolarHBondContact O-N 3.44Å | ||
| 308 | I | 60.4 | Low | 61.3 | Low | 18 Ų | 18 | 98.1 Ų | 98.1 | 9% | 0.092 | 50% | 0.5 | C | S | . | . | trans | -59.4 | 122.7 | 171.9 | -49.4 | -172.8 | 0 | 0 | 0 | 106.6 | L166 I173 M176 Q180 I306 T310 | L166-I308 HydrophobicContact CD2-CD1 4.29Å; I173-I308 HydrophobicContact CD1-CG2 4.34Å; I173-I308 HydrophobicContact CG1-CG2 4.05Å; I173-I308 HydrophobicContact CG2-CG2 4.47Å; M176-I308 HydrophobicContact CE-CD1 3.59Å; M176-I308 HydrophobicContact SD-CD1 3.87Å; M176-I308 HydrophobicContact SD-CG2 4.36Å; Q180-I308 HydrophobicContact CG-CD1 4.48Å; I306-I308 HydrophobicContact CB-CG1 4.4Å; I306-I308 HydrophobicContact CG2-CD1 4.15Å; I306-I308 HydrophobicContact CG2-CG1 3.63Å; I306-I308 PolarHBondContact O-N 3.38Å; I308-T310 PolarHBondContact O-N 3.32Å; I308-T310 PolarHBondContact O-OG1 3.37Å | ||
| 309 | N | 51.3 | Low | 59.1 | Low | 112 Ų | 112 | 100.1 Ų | 100.1 | 60% | 0.599 | 52% | 0.521 | S | S | * | . | trans | -77.7 | 61.5 | 177.7 | -170.8 | 27.9 | 0 | 0 | 0 | 109.6 | A307 F311 | A307-N309 PolarHBondContact O-N 3.44Å; N309-F311 PolarHBondContact O-N 2.9Å | ||
| 310 | T | 50.3 | Low | 56.9 | Low | 74 Ų | 74 | 106.2 Ų | 106.2 | 45% | 0.454 | 56% | 0.557 | S | S | . | * | trans | -64.4 | 98.7 | -175.3 | -47.5 | 0 | 0 | 0 | 0 | 109 | I308 M312 | I308-T310 PolarHBondContact O-N 3.32Å; I308-T310 PolarHBondContact O-OG1 3.37Å; T310-M312 HydrophobicContact CG2-CB 4.47Å; T310-M312 HydrophobicContact CG2-CG 3.57Å; T310-M312 PolarHBondContact O-N 3.35Å | ||
| 311 | F | 48.9 | Very low | 54.5 | Low | 167 Ų | 167 | 111 Ų | 111 | 73% | 0.732 | 58% | 0.583 | S | S | * | * | trans | -74.7 | 51.1 | 177.8 | -149.6 | -87.3 | 0 | 0 | 0 | 110.9 | N309 P313 | N309-F311 PolarHBondContact O-N 2.9Å; F311-P313 VanDerWaalsContact O-CD 3.24Å; F311-P313 WeakPolarHBondContact O-CD 3.34Å | ||
| 312 | M | 47.2 | Very low | 52 | Low | 145 Ų | 145 | 114.3 Ų | 114.3 | 71% | 0.714 | 61% | 0.606 | S | S | * | * | trans | -59.5 | 115.4 | 170.2 | -82.3 | -117.9 | 167.7 | 0 | 0 | 108.4 | T310 K314 | T310-M312 HydrophobicContact CG2-CB 4.47Å; T310-M312 HydrophobicContact CG2-CG 3.57Å; T310-M312 PolarHBondContact O-N 3.35Å; M312-K314 PolarHBondContact O-N 3.15Å; M312-K314 VanDerWaalsContact O-N 3.12Å | ||
| 313 | P | 39.3 | Very low | 49.6 | Very low | 87 Ų | 87 | 115.2 Ų | 115.2 | 57% | 0.565 | 62% | 0.615 | S | S | * | * | trans | -62.6 | 119.6 | 170.6 | 26.9 | -32.4 | 0 | 0 | 0 | 107.5 | F311 N315 | F311-P313 VanDerWaalsContact O-CD 3.24Å; F311-P313 WeakPolarHBondContact O-CD 3.34Å; P313-N315 PolarHBondContact O-N 3.24Å | ||
| 314 | K | 42.8 | Very low | 48 | Very low | 203 Ų | 203 | 118.9 Ų | 118.9 | 88% | 0.883 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -70 | 20.4 | -176.4 | -64.9 | -175.8 | 177.4 | 177.6 | 0 | 113.9 | M312 | M312-K314 PolarHBondContact O-N 3.15Å; M312-K314 VanDerWaalsContact O-N 3.12Å |
| 315 | N | 42.2 | Very low | 46.5 | Very low | 134 Ų | 134 | 121.4 Ų | 121.4 | 72% | 0.717 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -127.8 | 47.9 | -165.2 | -70.6 | 49 | 0 | 0 | 0 | 111.8 | P313 Y317 | P313-N315 PolarHBondContact O-N 3.24Å; N315-Y317 PolarHBondContact O-N 2.93Å |
| 316 | G | 37.6 | Very low | 45.6 | Very low | 79 Ų | 79 | 122 Ų | 122 | 81% | 0.814 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 68.7 | -16.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 119 | R318 | G316-R318 PolarHBondContact O-N 2.87Š|
| 317 | Y | 36.1 | Very low | 44.3 | Very low | 209 Ų | 209 | 127 Ų | 127 | 82% | 0.82 | 67% | 0.671 | S | S | * | * | trans | -73.7 | 96.1 | 180 | -101.5 | -94.1 | 0 | 0 | 0 | 111.5 | N315 | N315-Y317 PolarHBondContact O-N 2.93Š| ||
| 318 | R | 41.3 | Very low | 43.8 | Very low | 217 Ų | 217 | 130.5 Ų | 130.5 | 82% | 0.819 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 140.1 | 149.7 | -56.5 | -174.4 | -167.3 | -94.2 | 6 | 107.6 | G316 V320 | G316-R318 PolarHBondContact O-N 2.87Å; R318-V320 PolarHBondContact O-N 3.35Å |
| 319 | P | 41.4 | Very low | 43.1 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -54 | 136.6 | 160.8 | -22.6 | 34.2 | 0 | 0 | 0 | 109.4 | ||
| 320 | V | 46.6 | Very low | 42.7 | Very low | 131 Ų | 131 | 140 Ų | 140 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 133.7 | 171.8 | 174.2 | 0 | 0 | 0 | 0 | 108 | R318 V322 | R318-V320 PolarHBondContact O-N 3.35Å; V320-V322 PolarHBondContact O-N 2.89Å |
| 321 | E | 41.6 | Very low | 42.1 | Very low | 185 Ų | 185 | 143.9 Ų | 143.9 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | trans | -62.3 | 107.8 | 176 | -66.8 | 175.9 | 134.1 | 0 | 0 | 109.8 | N323 | E321-N323 VanDerWaalsContact C-N 3.3Å; E321-N323 PolarHBondContact O-N 2.87Å | ||
| 322 | V | 37.9 | Very low | 41.5 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | trans | -75.8 | 86.9 | 174.3 | -179.2 | 0 | 0 | 0 | 0 | 108 | V320 P324 | V320-V322 PolarHBondContact O-N 2.89Å; V322-P324 WeakPolarHBondContact O-CD 3.41Å | ||
| 323 | N | 37.2 | Very low | 41.3 | Very low | 107 Ų | 107 | 148.8 Ų | 148.8 | 57% | 0.572 | 74% | 0.738 | S | S | * | * | trans | -60.4 | 115.5 | 175.8 | -178.7 | 18.8 | 0 | 0 | 0 | 109.8 | E321 Y325 A326 | E321-N323 VanDerWaalsContact C-N 3.3Å; E321-N323 PolarHBondContact O-N 2.87Å; N323-Y325 PolarHBondContact O-N 2.91Å; N323-A326 PolarHBondContact O-N 3.22Å; N323-A326 VanDerWaalsContact O-N 3.15Å | ||
| 324 | P | 46.2 | Very low | 40.9 | Very low | 109 Ų | 109 | 151.8 Ų | 151.8 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -19.1 | -169.1 | 22.3 | -34.1 | 0 | 0 | 0 | 114.1 | V322 A326 | V322-P324 WeakPolarHBondContact O-CD 3.41Å; P324-A326 VanDerWaalsContact C-N 3.28Å; P324-A326 PolarHBondContact O-N 2.97Å |
| 325 | Y | 40.2 | Very low | 40.3 | Very low | 179 Ų | 179 | 147 Ų | 147 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -21 | 178.1 | -119.3 | -94.3 | 0 | 0 | 0 | 114.9 | N323 | N323-Y325 PolarHBondContact O-N 2.91Š|
| 326 | A | 45.7 | Very low | 40 | Very low | 68 Ų | 68 | 151.2 Ų | 151.2 | 56% | 0.562 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -74.9 | -34.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N323 P324 Q328 Q329 | N323-A326 PolarHBondContact O-N 3.22Å; N323-A326 VanDerWaalsContact O-N 3.15Å; P324-A326 VanDerWaalsContact C-N 3.28Å; P324-A326 PolarHBondContact O-N 2.97Å; A326-Q328 VanDerWaalsContact C-N 3.29Å; A326-Q328 PolarHBondContact O-N 2.74Å; A326-Q329 PolarHBondContact O-N 3.23Å |
| 327 | Q | 39.7 | Very low | 39.6 | Very low | 137 Ų | 137 | 158.3 Ų | 158.3 | 64% | 0.64 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -20.3 | -168.8 | -167.7 | 163.6 | -49 | 0 | 0 | 113.6 | ||
| 328 | Q | 46.1 | Very low | 39.5 | Very low | 137 Ų | 137 | 154.7 Ų | 154.7 | 64% | 0.64 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -20.6 | -177 | -156.2 | 174.6 | 24.7 | 0 | 0 | 113.7 | A326 | A326-Q328 VanDerWaalsContact C-N 3.29Å; A326-Q328 PolarHBondContact O-N 2.74Å |
| 329 | Q | 46.3 | Very low | 39.4 | Very low | 160 Ų | 160 | 149.4 Ų | 149.4 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -29 | -177.6 | -62.8 | -166.5 | 14.4 | 0 | 0 | 113.7 | A326 Q331 | A326-Q329 PolarHBondContact O-N 3.23Å; Q329-Q331 VanDerWaalsContact C-N 3.33Å; Q329-Q331 PolarHBondContact O-N 2.97Å |
| 330 | Q | 42.1 | Very low | 39.2 | Very low | 170 Ų | 170 | 149.7 Ų | 149.7 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -77.1 | -15.3 | -179.7 | -80 | -179.3 | -36.2 | 0 | 0 | 114.1 | R332 | Q330-R332 VanDerWaalsContact C-N 3.26Å; Q330-R332 PolarHBondContact O-N 3.3Å |
| 331 | Q | 38.1 | Very low | 38.8 | Very low | 154 Ų | 154 | 149.7 Ų | 149.7 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -87.8 | 22.2 | -178.7 | -62.2 | -64.2 | -15 | 0 | 0 | 113.9 | Q329 | Q329-Q331 VanDerWaalsContact C-N 3.33Å; Q329-Q331 PolarHBondContact O-N 2.97Å |
| 332 | R | 35 | Very low | 38.2 | Very low | 194 Ų | 194 | 151.3 Ų | 151.3 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -120.6 | 4 | -176.3 | -66.5 | -65.3 | -179.7 | 86 | -3.5 | 114.9 | Q330 | Q330-R332 VanDerWaalsContact C-N 3.26Å; Q330-R332 PolarHBondContact O-N 3.3Å |
| 333 | Y | 43.3 | Very low | 38 | Very low | 222 Ų | 222 | 150.1 Ų | 150.1 | 87% | 0.871 | 74% | 0.744 | S | S | * | * | trans | -147.1 | 65.8 | -175 | -112.1 | -80.4 | 0 | 0 | 0 | 115 | ||||
| 334 | T | 31.1 | Very low | 38.4 | Very low | 150 Ų | 150 | 149.4 Ų | 149.4 | 92% | 0.92 | 75% | 0.745 | S | S | * | * | trans | -140.7 | 143.4 | 148.9 | 46.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 335 | S | 30.3 | Very low | 37.7 | Very low | 103 Ų | 103 | 152.3 Ų | 152.3 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | -133.2 | 142 | -176.2 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 336 | Y | 36.2 | Very low | 37.6 | Very low | 221 Ų | 221 | 151.8 Ų | 151.8 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | trans | -2.8 | 123.2 | 172.2 | -62 | -91.2 | 0 | 0 | 0 | 119.4 | ||||
| 337 | Y | 29.9 | Very low | 37 | Very low | 229 Ų | 229 | 157 Ų | 157 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | trans | -149.5 | 162.4 | 133.6 | -151.9 | -103.7 | 0 | 0 | 0 | 112.7 | ||||
| 338 | I | 33.5 | Very low | 36.7 | Very low | 133 Ų | 133 | 158.9 Ų | 158.9 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | trans | -104.5 | 140.8 | -165.8 | -66.3 | 168.2 | 0 | 0 | 0 | 111.5 | ||||
| 339 | P | 38.4 | Very low | 36.5 | Very low | 106 Ų | 106 | 155.9 Ų | 155.9 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | trans | -83.9 | 135.5 | 172.8 | 33 | -33.4 | 0 | 0 | 0 | 112.8 | ||||
| 340 | P | 38.8 | Very low | 36.3 | Very low | 128 Ų | 128 | 153.1 Ų | 153.1 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | trans | -79.3 | 164 | 167.6 | 33.5 | -34.1 | 0 | 0 | 0 | 112.1 | ||||
| 341 | V | 36.3 | Very low | 35.7 | Very low | 130 Ų | 130 | 152.2 Ų | 152.2 | 79% | 0.788 | 75% | 0.745 | S | S | * | * | trans | -120 | 168.1 | -170.3 | -170.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 342 | Y | 30.1 | Very low | 35.2 | Very low | 220 Ų | 220 | 148.9 Ų | 148.9 | 86% | 0.863 | 74% | 0.738 | S | S | * | * | trans | 94.6 | 150.5 | 170.1 | -94.8 | -89.9 | 0 | 0 | 0 | 119.6 | ||||
| 343 | S | 32.8 | Very low | 35.3 | Very low | 96 Ų | 96 | 147.7 Ų | 147.7 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | trans | -130.8 | -162.6 | -167.5 | 64.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 344 | P | 46 | Very low | 35.1 | Very low | 92 Ų | 92 | 145.1 Ų | 145.1 | 60% | 0.597 | 75% | 0.745 | S | S | * | * | cis | -133.6 | -177.6 | -6.6 | 39.8 | -22.3 | 0 | 0 | 0 | 114.5 | ||||
| 345 | Q | 31.3 | Very low | 35.3 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | trans | 163.7 | 120.8 | 132.2 | -85.6 | 144 | 53.8 | 0 | 0 | 113.9 | ||||
| 346 | Q | 38.3 | Very low | 35.6 | Very low | 169 Ų | 169 | 144.8 Ų | 144.8 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | 42.3 | 144.7 | 143.6 | -58 | 174.9 | -4.7 | 0 | 0 | 121.3 | ||||
| 347 | Q | 34.3 | Very low | 35.4 | Very low | 176 Ų | 176 | 142.5 Ų | 142.5 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | cis | -161 | 154.3 | -6.5 | -119 | 173.6 | -28.9 | 0 | 0 | 108.8 | ||||
| 348 | F | 33 | Very low | 35.5 | Very low | 177 Ų | 177 | 135.3 Ų | 135.3 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | -93 | 177.6 | 179.6 | -70.4 | -81 | 0 | 0 | 0 | 113.7 | ||||
| 349 | P | 41.8 | Very low | 35.5 | Very low | 74 Ų | 74 | 140.9 Ų | 140.9 | 48% | 0.481 | 74% | 0.739 | S | S | . | * | -143.8 | 65.5 | 88.7 | 42.2 | -27.9 | 0 | 0 | 0 | 120.2 | R745 W746 A747 | P349-R745 CarbonylContact O-C 3.43Å; P349-R745 VanDerWaalsContact O-O 3.08Å; P349-W746 CarbonylContact O-C 2.96Å; P349-W746 WeakPolarHBondContact O-CA 3.37Å; P349-W746 PolarHBondContact O-N 3.1Å; P349-W746 VanDerWaalsContact O-N 3.15Å; P349-A747 CarbonylContact C-O 3.53Å; P349-A747 VanDerWaalsContact C-O 3.31Å; P349-A747 HydrophobicContact CG-CB 4.41Å; P349-A747 PolarHBondContact O-N 3.35Å | |||
| 350 | L | 41.5 | Very low | 35.2 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 54% | 0.539 | 74% | 0.744 | S | S | . | * | trans | 86 | -114 | 158.3 | -56.6 | 110.6 | 0 | 0 | 0 | 125 | W746 A747 S748 | L350-W746 HydrophobicContact CB-CE3 3.84Å; L350-W746 HydrophobicContact CB-CZ3 4.35Å; L350-A747 CarbonylContact C-O 3.51Å; L350-A747 VanDerWaalsContact C-O 3.26Å; L350-A747 WeakPolarHBondContact CA-O 3.35Å; L350-A747 PolarHBondContact N-O 2.88Å; L350-A747 CarbonylContact O-C 3.59Å; L350-S748 WeakPolarHBondContact O-CA 3.43Å; L350-S748 PolarHBondContact O-N 3.04Å; L350-S748 PolarHBondContact O-OG 2.75Å | ||
| 351 | Y | 30.6 | Very low | 34.7 | Very low | 150 Ų | 150 | 141 Ų | 141 | 59% | 0.588 | 74% | 0.74 | S | S | * | * | trans | 65.3 | 162 | -169.7 | -109.1 | -16.5 | 0 | 0 | 0 | 117.6 | W746 S748 | Y351-W746 HydrophobicContact CD1-CB 3.25Å; Y351-W746 HydrophobicContact CD1-CG 4.05Å; Y351-W746 HydrophobicContact CE1-CB 3.86Å; Y351-W746 HydrophobicContact CG-CB 3.67Å; Y351-S748 VanDerWaalsContact CB-OG 3.25Å; Y351-S748 WeakPolarHBondContact CB-OG 3.46Å | ||
| 352 | S | 26 | Very low | 34.4 | Very low | 84 Ų | 84 | 141.5 Ų | 141.5 | 59% | 0.587 | 74% | 0.744 | S | S | * | * | cis | -142.7 | 132.4 | -12 | -169.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 353 | L | 36.9 | Very low | 34.7 | Very low | 170 Ų | 170 | 139 Ų | 139 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | trans | -148.3 | 107.2 | -178.8 | -80 | 176 | 0 | 0 | 0 | 112.9 | ||||
| 354 | I | 39 | Very low | 34.4 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 86% | 0.862 | 75% | 0.748 | S | S | * | * | trans | -139.3 | 137.8 | 157.1 | -64.9 | -174.5 | 0 | 0 | 0 | 107.5 | ||||
| 355 | T | 36.6 | Very low | 33.9 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 154.8 | -175.4 | 49.1 | 0 | 0 | 0 | 0 | 113.4 | Q357 | T355-Q357 PolarHBondContact O-N 2.99Š|
| 356 | P | 35.3 | Very low | 34.2 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 133.8 | 160.5 | -18.6 | 32.3 | 0 | 0 | 0 | 110.5 | ||
| 357 | Q | 32.6 | Very low | 33.9 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 161.1 | 175.3 | -102.4 | -72.4 | 7.4 | 0 | 0 | 111.9 | T355 | T355-Q357 PolarHBondContact O-N 2.99Š|
| 358 | A | 32.9 | Very low | 34.3 | Very low | 77 Ų | 77 | 141.1 Ų | 141.1 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 169.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 359 | W | 32 | Very low | 34.7 | Very low | 250 Ų | 250 | 136.3 Ų | 136.3 | 95% | 0.947 | 75% | 0.753 | S | S | * | * | trans | -115.2 | 118.6 | 161.8 | -55.6 | -50.8 | 0 | 0 | 0 | 110.2 | ||||
| 360 | S | 32 | Very low | 34.5 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -143.1 | 118.5 | 162.7 | 52.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 361 | T | 28.5 | Very low | 34.5 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -112.7 | 108.9 | -175 | -59.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 362 | T | 31.4 | Very low | 35 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | trans | -134.8 | 131.4 | 162.7 | -37.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 363 | H | 35.2 | Very low | 36 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | trans | -80.1 | 143.9 | -174 | -77.6 | -116 | 0 | 0 | 0 | 112.7 | ||||
| 364 | S | 27.8 | Very low | 35.7 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -156.7 | 150.9 | 138.3 | -85.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 365 | F | 35.4 | Very low | 35.4 | Very low | 198 Ų | 198 | 143.6 Ų | 143.6 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -29.6 | 146.6 | 176.1 | -94.4 | -122.7 | 0 | 0 | 0 | 118.6 | ||||
| 366 | I | 36.9 | Very low | 35 | Very low | 173 Ų | 173 | 144 Ų | 144 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | -162.3 | 165 | 115.1 | -101.9 | 159.4 | 0 | 0 | 0 | 111.1 | |||||
| 367 | D | 32.9 | Very low | 35.1 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | trans | -91.3 | 137.9 | -154.7 | -164.7 | -0.3 | 0 | 0 | 0 | 114.7 | A369 | D367-A369 VanDerWaalsContact C-N 3.25Å; D367-A369 PolarHBondContact O-N 2.94Å | ||
| 368 | P | 41.5 | Very low | 35.1 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -71.8 | 12.4 | -173.3 | -21.9 | 35.7 | 0 | 0 | 0 | 118.6 | L370 | P368-L370 PolarHBondContact O-N 2.97Š|
| 369 | A | 41 | Very low | 35.3 | Very low | 76 Ų | 76 | 149 Ų | 149 | 63% | 0.628 | 79% | 0.793 | S | S | * | * | trans | -81.9 | -6.1 | -157.6 | 0 | 0 | 0 | 0 | 0 | 118 | D367 | D367-A369 VanDerWaalsContact C-N 3.25Å; D367-A369 PolarHBondContact O-N 2.94Å | ||
| 370 | L | 39.4 | Very low | 35.5 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -128.6 | 49.5 | -162.4 | -68.2 | 177.7 | 0 | 0 | 0 | 116.8 | P368 | P368-L370 PolarHBondContact O-N 2.97Š| ||
| 371 | V | 41.1 | Very low | 35.6 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | trans | -133.9 | 111.6 | 153.8 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 372 | T | 41 | Very low | 35.6 | Very low | 119 Ų | 119 | 144 Ų | 144 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 154.7 | 178 | 41.5 | 0 | 0 | 0 | 0 | 112.4 | ||
| 373 | P | 45.4 | Very low | 35.6 | Very low | 102 Ų | 102 | 146 Ų | 146 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 119.6 | -163.4 | 32.7 | -34.7 | 0 | 0 | 0 | 114.1 | H375 | P373-H375 PolarHBondContact O-ND1 3.44Š|
| 374 | F | 31.8 | Very low | 35.5 | Very low | 210 Ų | 210 | 144 Ų | 144 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 127.8 | 162.7 | -85.4 | -79.7 | 0 | 0 | 0 | 111.2 | ||
| 375 | H | 32.3 | Very low | 35.9 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 131.2 | -179.4 | -62 | 51 | 0 | 0 | 0 | 109.5 | P373 | P373-H375 PolarHBondContact O-ND1 3.44Š|
| 376 | N | 28.3 | Very low | 35.8 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | 179.7 | 146.5 | 102.7 | -165.6 | 17.9 | 0 | 0 | 0 | 111.1 | Q378 | N376-Q378 PolarHBondContact ND2-NE2 2.8Š| |||
| 377 | N | 36.9 | Very low | 35.6 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | -87.3 | 136.8 | 163 | -75.8 | -65.2 | 0 | 0 | 0 | 108.9 | ||||
| 378 | Q | 34 | Very low | 35.4 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -152.4 | 96.1 | 149.6 | -111.6 | 138.5 | 48.4 | 0 | 0 | 117.2 | N376 | N376-Q378 PolarHBondContact ND2-NE2 2.8Š| ||
| 379 | F | 35.5 | Very low | 35.1 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | 76 | 145.6 | 128 | -88.4 | -107.7 | 0 | 0 | 0 | 123.4 | |||||
| 380 | I | 37.4 | Very low | 34.9 | Very low | 147 Ų | 147 | 146.9 Ų | 146.9 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | 88.8 | 92.6 | 155.4 | -64.9 | 152.3 | 0 | 0 | 0 | 119.4 | ||||
| 381 | N | 32.7 | Very low | 35.1 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | 31.3 | 130.7 | 123.6 | -80.4 | -0 | 0 | 0 | 0 | 121.7 | |||||
| 382 | G | 30.1 | Very low | 34.6 | Very low | 84 Ų | 84 | 142.7 Ų | 142.7 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | -150.2 | 106.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 383 | F | 31.3 | Very low | 34.1 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | -111.5 | 158.9 | -172.6 | -128.3 | -87.5 | 0 | 0 | 0 | 111 | ||||
| 384 | T | 33 | Very low | 33.2 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | 70 | 159.6 | 175.7 | 80.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 385 | T | 36.4 | Very low | 33.6 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | cis | -123 | 175.4 | 8.9 | 47 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 386 | S | 32.8 | Very low | 33.7 | Very low | 86 Ų | 86 | 140 Ų | 140 | 60% | 0.601 | 78% | 0.783 | S | S | * | * | trans | -125.1 | -160.3 | 177.7 | 73.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 387 | H | 32.7 | Very low | 33.9 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 85.4 | 136.9 | 175.9 | -47.7 | -63.5 | 0 | 0 | 0 | 116 | ||||
| 388 | S | 29.1 | Very low | 33.6 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | cis | -163 | 132.4 | -10.6 | -102.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 389 | F | 34.8 | Very low | 33.5 | Very low | 211 Ų | 211 | 140.4 Ų | 140.4 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | -170 | 158.5 | 122.2 | -115.8 | -88.3 | 0 | 0 | 0 | 108.8 | |||||
| 390 | K | 36.9 | Very low | 33.2 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -126.3 | -169.5 | -173.3 | -45.5 | -173.6 | 174.6 | 180 | 0 | 112.6 | ||||
| 391 | P | 43.7 | Very low | 33 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | -125.9 | 175.3 | -119.9 | 32.3 | -8.8 | 0 | 0 | 0 | 114.8 | |||||
| 392 | A | 29.4 | Very low | 32.9 | Very low | 88 Ų | 88 | 140.2 Ų | 140.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -151.3 | 133.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 393 | T | 30.4 | Very low | 33.2 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 93% | 0.933 | 79% | 0.788 | S | S | * | * | trans | 69.3 | 156.5 | 152.4 | 38.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 394 | S | 28.4 | Very low | 33.2 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -97.1 | 157.3 | -164.3 | -149.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 395 | P | 40 | Very low | 33.4 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | trans | -90.1 | 146.2 | -171.3 | 35.1 | -34.2 | 0 | 0 | 0 | 114 | ||||
| 396 | L | 33 | Very low | 33.6 | Very low | 161 Ų | 161 | 151.1 Ų | 151.1 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -142.9 | 135.8 | 167.8 | -71.7 | 175.9 | 0 | 0 | 0 | 111.1 | ||||
| 397 | T | 32.4 | Very low | 33.8 | Very low | 133 Ų | 133 | 152.2 Ų | 152.2 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | 69.3 | 130.4 | 152.9 | -59.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 398 | V | 30.8 | Very low | 34 | Very low | 110 Ų | 110 | 153 Ų | 153 | 67% | 0.667 | 80% | 0.8 | S | S | * | * | cis | -153.2 | 137.4 | -14.2 | 119.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 399 | R | 31.8 | Very low | 34.1 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | trans | 24.5 | 115.5 | 152.3 | -50.6 | 172 | -173.5 | -176.3 | 1.9 | 120 | F401 | R399-F401 HydrophobicContact CB-CE2 4.47Š| ||
| 400 | H | 31 | Very low | 34.4 | Very low | 192 Ų | 192 | 152.4 Ų | 152.4 | 89% | 0.889 | 80% | 0.798 | S | S | * | * | trans | -81.1 | 147 | 131 | -76.3 | -101.2 | 0 | 0 | 0 | 109.5 | ||||
| 401 | F | 31.6 | Very low | 34.8 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 79% | 0.789 | 79% | 0.794 | S | S | * | * | trans | -95.2 | 125.7 | 174.5 | -83.9 | -99.4 | 0 | 0 | 0 | 110.9 | R399 | R399-F401 HydrophobicContact CB-CE2 4.47Š| ||
| 402 | S | 32.1 | Very low | 34.2 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -108.4 | 149.8 | 165.2 | -66.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 403 | P | 35.6 | Very low | 34.8 | Very low | 134 Ų | 134 | 153.6 Ų | 153.6 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | -66.8 | 151.3 | -173 | 26.1 | -34.5 | 0 | 0 | 0 | 113.5 | ||||
| 404 | R | 31.2 | Very low | 35 | Very low | 249 Ų | 249 | 158.2 Ų | 158.2 | 94% | 0.94 | 79% | 0.794 | S | S | * | * | trans | -97.5 | 116.2 | -165.6 | -175.8 | 179.5 | -175.1 | 133.4 | -4.1 | 111.9 | ||||
| 405 | N | 37.8 | Very low | 36.2 | Very low | 154 Ų | 154 | 158.2 Ų | 158.2 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -131.3 | 114.2 | 168.2 | -172.6 | -6.5 | 0 | 0 | 0 | 111.4 | ||||
| 406 | R | 39.4 | Very low | 35.5 | Very low | 217 Ų | 217 | 158.5 Ų | 158.5 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | trans | -176.5 | 148.1 | 174.2 | -137.8 | 91.4 | 178.9 | -166.6 | -5.1 | 106.5 | ||||
| 407 | N | 37.9 | Very low | 35.4 | Very low | 109 Ų | 109 | 158.7 Ų | 158.7 | 58% | 0.583 | 80% | 0.797 | S | S | * | * | cis | -142.4 | 170.4 | 16.6 | -112.9 | -36 | 0 | 0 | 0 | 108.1 | ||||
| 408 | H | 35.8 | Very low | 36.4 | Very low | 184 Ų | 184 | 157.1 Ų | 157.1 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | -148.1 | -178.6 | 58.9 | -87.6 | -89.2 | 0 | 0 | 0 | 114.1 | |||||
| 409 | S | 31.9 | Very low | 36.3 | Very low | 99 Ų | 99 | 158.5 Ų | 158.5 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -131.8 | 152 | -148.5 | 52.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 410 | K | 41.6 | Very low | 36.3 | Very low | 192 Ų | 192 | 153.8 Ų | 153.8 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -67.2 | 169.9 | 160.4 | -54.2 | -178.4 | 176.7 | 180 | 0 | 110.9 | ||||
| 411 | P | 45.6 | Very low | 36.2 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | -111.3 | -154.5 | 61.2 | 41.8 | -38.6 | 0 | 0 | 0 | 112.3 | |||||
| 412 | H | 31.1 | Very low | 36.4 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | cis | -150.3 | 177.6 | -0.9 | -152.8 | -84.1 | 0 | 0 | 0 | 110.7 | ||||
| 413 | L | 41.2 | Very low | 36.2 | Very low | 150 Ų | 150 | 153 Ų | 153 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -146.7 | 143.6 | 172.3 | -72.8 | 172.8 | 0 | 0 | 0 | 112.9 | ||||
| 414 | R | 35.6 | Very low | 36.1 | Very low | 248 Ų | 248 | 152.5 Ų | 152.5 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | 179.1 | 164.8 | 126.4 | -99.2 | -150.2 | 164.8 | 177.2 | -3.4 | 113.1 | |||||
| 415 | P | 51.9 | Low | 36.2 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -125.5 | 173 | -160 | 43.6 | -31.4 | 0 | 0 | 0 | 116.9 | ||||
| 416 | S | 26.1 | Very low | 36.1 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -154.5 | 158.2 | 158.3 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 417 | I | 31.5 | Very low | 36 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | -131.2 | -175.1 | 180 | 6.6 | 172.4 | 0 | 0 | 0 | 107.7 | ||||
| 418 | P | 52.2 | Low | 35.7 | Very low | 100 Ų | 100 | 136 Ų | 136 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | cis | -135.9 | -152.6 | -6.3 | 28.3 | -1.6 | 0 | 0 | 0 | 113.6 | ||||
| 419 | T | 28.5 | Very low | 35.6 | Very low | 138 Ų | 138 | 129.1 Ų | 129.1 | 85% | 0.847 | 73% | 0.728 | S | S | * | * | trans | 77.6 | 150 | 163.2 | 67.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 420 | A | 31.8 | Very low | 36.3 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | cis | -169 | -179.6 | -25.6 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 421 | D | 30 | Very low | 36 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 67% | 0.668 | 72% | 0.719 | S | S | * | * | cis | -158.7 | 175.8 | 8.5 | -164.5 | 7.4 | 0 | 0 | 0 | 109.9 | ||||
| 422 | R | 36.3 | Very low | 35.4 | Very low | 219 Ų | 219 | 127.6 Ų | 127.6 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | trans | 70.1 | 100.3 | 154.7 | -77.4 | 153.6 | -159.4 | -117.5 | -11.3 | 121.8 | ||||
| 423 | S | 28.2 | Very low | 35.8 | Very low | 120 Ų | 120 | 128 Ų | 128 | 84% | 0.839 | 73% | 0.727 | S | S | * | * | trans | -83 | 153.1 | 149.5 | 53 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 424 | S | 32.6 | Very low | 35.8 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | trans | 177.9 | 139.5 | 144.1 | -161.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 425 | G | 32.5 | Very low | 35.5 | Very low | 68 Ų | 68 | 118.3 Ų | 118.3 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | cis | 119.1 | 154 | 46.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 426 | L | 36.5 | Very low | 34.5 | Very low | 149 Ų | 149 | 123 Ų | 123 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | cis | -173.4 | 135.8 | 5.4 | -173.4 | 67.9 | 0 | 0 | 0 | 112.6 | ||||
| 427 | L | 37 | Very low | 34.6 | Very low | 89 Ų | 89 | 122.3 Ų | 122.3 | 47% | 0.466 | 73% | 0.728 | S | S | . | * | trans | 65.9 | 141.6 | 150.1 | -68.3 | 168.9 | 0 | 0 | 0 | 128.8 | E12 P13 | E12-L427 HydrophobicContact CB-CD2 3.57Å; E12-L427 HydrophobicContact CG-CD2 4.04Å; E12-L427 VanDerWaalsContact OE2-CD2 3.29Å; E12-L427 WeakPolarHBondContact OE2-CD2 3.46Å; P13-L427 HydrophobicContact CB-CD2 4.42Å | ||
| 428 | D | 32.3 | Very low | 34.6 | Very low | 77 Ų | 77 | 120 Ų | 120 | 41% | 0.412 | 73% | 0.727 | S | S | . | * | trans | 98.1 | 139.5 | 134.1 | -94.5 | 36.2 | 0 | 0 | 0 | 127.9 | V10 A11 | V10-D428 PolarHBondContact N-O 3.29Å; V10-D428 CarbonylContact O-C 3.54Å; A11-D428 CarbonylContact O-C 3.55Å; A11-D428 VanDerWaalsContact O-C 3.28Å; A11-D428 VanDerWaalsContact O-CA 3.29Å; A11-D428 WeakPolarHBondContact O-CA 3.37Å | ||
| 429 | S | 32.6 | Very low | 34 | Very low | 39 Ų | 39 | 121.7 Ų | 121.7 | 27% | 0.273 | 73% | 0.726 | S | S | . | * | trans | -133.7 | 179.2 | -174.1 | -54.4 | 0 | 0 | 0 | 0 | 115.2 | V10 A11 | V10-S429 VanDerWaalsContact CA-OG 3.3Å; V10-S429 WeakPolarHBondContact CA-OG 3.39Å; A11-S429 VanDerWaalsContact C-OG 3.22Å; A11-S429 WeakPolarHBondContact CA-OG 3.32Å; A11-S429 PolarHBondContact N-OG 2.99Å; A11-S429 WeakPolarHBondContact O-CB 3.13Å; A11-S429 PolarHBondContact O-N 2.85Å; A11-S429 PolarHBondContact O-OG 3.21Å | ||
| 430 | P | 47.7 | Very low | 34.3 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 74% | 0.74 | 72% | 0.719 | S | S | * | * | -126.5 | 147.3 | 87.1 | 3.3 | 19.9 | 0 | 0 | 0 | 114.3 | |||||
| 431 | S | 34.3 | Very low | 34.6 | Very low | 85 Ų | 85 | 125.7 Ų | 125.7 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | 57.7 | 128.5 | 86.7 | -62.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 432 | L | 34 | Very low | 34.5 | Very low | 176 Ų | 176 | 127 Ų | 127 | 92% | 0.921 | 72% | 0.721 | S | S | * | * | -134.6 | 175.7 | 50.9 | -75 | 161.8 | 0 | 0 | 0 | 115.4 | |||||
| 433 | F | 38.2 | Very low | 34.2 | Very low | 175 Ų | 175 | 119.7 Ų | 119.7 | 77% | 0.768 | 71% | 0.714 | S | S | * | * | trans | -126.1 | -178.8 | -159.8 | -86 | -94.5 | 0 | 0 | 0 | 112.9 | ||||
| 434 | P | 42.3 | Very low | 34.2 | Very low | 127 Ų | 127 | 120.4 Ų | 120.4 | 83% | 0.825 | 71% | 0.713 | S | S | * | * | cis | -128.1 | 165.3 | -4.4 | 29.5 | -9.7 | 0 | 0 | 0 | 115.8 | ||||
| 435 | G | 28.7 | Very low | 34.1 | Very low | 69 Ų | 69 | 125.5 Ų | 125.5 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | trans | 146.8 | 31.9 | 158 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 436 | F | 30.9 | Very low | 33.9 | Very low | 214 Ų | 214 | 126.2 Ų | 126.2 | 94% | 0.939 | 71% | 0.708 | S | S | * | * | trans | 37.7 | 113.4 | 166.5 | -71.3 | -78 | 0 | 0 | 0 | 120.5 | ||||
| 437 | A | 29.2 | Very low | 33.5 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 85% | 0.851 | 71% | 0.708 | S | S | * | * | trans | -90.2 | 163.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 438 | S | 30.6 | Very low | 34.4 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | trans | -151.2 | 78.5 | 171.4 | 171 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 439 | E | 39.1 | Very low | 34.6 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | trans | -145.1 | 124.3 | -169.4 | -90.1 | -86.5 | 111.3 | 0 | 0 | 113 | ||||
| 440 | R | 36.7 | Very low | 34.5 | Very low | 189 Ų | 189 | 130.7 Ų | 130.7 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | 62.5 | 159.3 | 144.9 | -45.6 | -63.5 | 165.6 | 132.4 | 7.7 | 119.5 | ||||
| 441 | L | 36.7 | Very low | 33.4 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 65% | 0.654 | 77% | 0.772 | S | S | * | * | cis | -164.7 | 145.4 | -25.5 | -104.4 | 173.1 | 0 | 0 | 0 | 109.2 | ||||
| 442 | N | 29.2 | Very low | 33.4 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 54.4 | 147.6 | 155.7 | -57.8 | -20.8 | 0 | 0 | 0 | 121 | ||||
| 443 | G | 28.5 | Very low | 33.6 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | cis | 161.6 | 160.5 | -13.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 444 | V | 29.5 | Very low | 33 | Very low | 135 Ų | 135 | 134 Ų | 134 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 81 | 146.8 | 144.3 | 172.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 445 | R | 30.6 | Very low | 32.4 | Very low | 229 Ų | 229 | 133.5 Ų | 133.5 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | 77 | 141.4 | 167.1 | -86 | 171.7 | -175.1 | -80.6 | 3.7 | 118.1 | ||||
| 446 | S | 26.8 | Very low | 32.6 | Very low | 84 Ų | 84 | 138.6 Ų | 138.6 | 59% | 0.587 | 78% | 0.78 | S | S | * | * | cis | -154 | 152.8 | -6.8 | -55.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 447 | S | 29 | Very low | 33 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 59.6 | 145.3 | 139.1 | 57.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 448 | P | 54.6 | Low | 33 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | -92.1 | -179.3 | 170 | 41.4 | -37.6 | 0 | 0 | 0 | 112.8 | ||||
| 449 | P | 37.9 | Very low | 32.9 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | -150 | -174 | 100.5 | 41.2 | -24.9 | 0 | 0 | 0 | 115 | |||||
| 450 | A | 30 | Very low | 32.3 | Very low | 92 Ų | 92 | 144.4 Ų | 144.4 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -127.7 | 147.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 451 | R | 25.2 | Very low | 32.2 | Very low | 236 Ų | 236 | 143.1 Ų | 143.1 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | 178.2 | 133.3 | 150.8 | -102.4 | 162 | -172.5 | -156.6 | 2.2 | 113.4 | ||||
| 452 | L | 32.8 | Very low | 32.9 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | 29.2 | 151.9 | 123.4 | -60.2 | 179 | 0 | 0 | 0 | 120.3 | |||||
| 453 | P | 38.6 | Very low | 32.7 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | cis | -151.8 | 177.1 | 36.3 | 44.5 | -24.2 | 0 | 0 | 0 | 120.3 | ||||
| 454 | S | 25.4 | Very low | 32.7 | Very low | 111 Ų | 111 | 143.5 Ų | 143.5 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | 62.7 | 110.4 | 140.5 | -176.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 455 | S | 30 | Very low | 32.9 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | -159.5 | 147.5 | 108.5 | 48.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 456 | Q | 34.2 | Very low | 32.7 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -139.4 | 154.4 | 167.5 | -78 | -164.8 | -16.7 | 0 | 0 | 108.2 | ||||
| 457 | P | 37.7 | Very low | 33.1 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | -125.5 | 139.7 | 92.8 | 2.1 | 20 | 0 | 0 | 0 | 112.3 | |||||
| 458 | R | 29.7 | Very low | 34.1 | Very low | 217 Ų | 217 | 142.3 Ų | 142.3 | 82% | 0.819 | 81% | 0.809 | S | S | * | * | 70.3 | 114.8 | 72.8 | -157.2 | 177.4 | -161.8 | 124.6 | 3.1 | 111.9 | |||||
| 459 | T | 29.5 | Very low | 32.9 | Very low | 120 Ų | 120 | 146.6 Ų | 146.6 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | -158.6 | 144.4 | 80.8 | 31.8 | 0 | 0 | 0 | 0 | 118 | |||||
| 460 | R | 26.6 | Very low | 32.7 | Very low | 229 Ų | 229 | 152.3 Ų | 152.3 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | 48.4 | 109 | 148.7 | -65.4 | 178.4 | 172.9 | -109.3 | 2.9 | 119.8 | ||||
| 461 | L | 33 | Very low | 32.6 | Very low | 162 Ų | 162 | 153.2 Ų | 153.2 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | 53.9 | 147.9 | 63.2 | -62.7 | 174.4 | 0 | 0 | 0 | 116.3 | |||||
| 462 | P | 52.1 | Low | 32.9 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | cis | -145 | -140.9 | -40.7 | 43.4 | -23.5 | 0 | 0 | 0 | 112.1 | ||||
| 463 | S | 25.7 | Very low | 32.8 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | 106.5 | 145.6 | 155.1 | -144.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 464 | T | 28.2 | Very low | 32.4 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | cis | -159.5 | 165.7 | -37.5 | 30.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 465 | A | 33.3 | Very low | 32.6 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -89.2 | 160.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 466 | A | 26.6 | Very low | 32.6 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -163 | 143.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 467 | F | 34.5 | Very low | 32.4 | Very low | 204 Ų | 204 | 145.5 Ų | 145.5 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | trans | -92.3 | 171.5 | 157.6 | -70.4 | -96.5 | 0 | 0 | 0 | 109.7 | ||||
| 468 | P | 49.5 | Very low | 32.1 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 84% | 0.844 | 82% | 0.816 | S | S | * | * | trans | -127.4 | 148.4 | 134 | 36 | -28.6 | 0 | 0 | 0 | 113.6 | ||||
| 469 | R | 29.8 | Very low | 32 | Very low | 206 Ų | 206 | 141.8 Ų | 141.8 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -90 | 163.2 | 167.1 | -68.1 | -175.8 | 179.3 | -124 | 2.9 | 111.2 | D471 | R469-D471 IonicContact CZ-OD1 2.66Å; R469-D471 IonicContact NH1-OD1 2.96Å; R469-D471 PolarHBondContact NH1-OD1 3.49Å; R469-D471 IonicContact NH1-OD2 2.65Å | ||
| 470 | R | 33.8 | Very low | 32.1 | Very low | 249 Ų | 249 | 143.5 Ų | 143.5 | 94% | 0.94 | 82% | 0.816 | S | S | * | * | -150 | 136.7 | 122.6 | -137.3 | 174.9 | -161.3 | 143.2 | 5.7 | 111.7 | |||||
| 471 | D | 28 | Very low | 32.9 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 60% | 0.599 | 81% | 0.806 | S | S | * | * | trans | -98.8 | 155.6 | -178.3 | -39.4 | -108.3 | 0 | 0 | 0 | 110.9 | R469 | R469-D471 IonicContact CZ-OD1 2.66Å; R469-D471 IonicContact NH1-OD1 2.96Å; R469-D471 PolarHBondContact NH1-OD1 3.49Å; R469-D471 IonicContact NH1-OD2 2.65Å | ||
| 472 | A | 32.7 | Very low | 32.6 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -178 | 134.3 | 139.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 473 | A | 30.3 | Very low | 31.7 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | 59.1 | 129.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 474 | G | 29.2 | Very low | 32.8 | Very low | 80 Ų | 80 | 138 Ų | 138 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | 154.9 | 71.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 475 | T | 31.1 | Very low | 32.8 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | trans | -63.8 | 150.1 | 166.2 | 48.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 476 | G | 29 | Very low | 32.6 | Very low | 66 Ų | 66 | 142.8 Ų | 142.8 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | cis | 158.6 | 178.8 | 1.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 477 | R | 30.4 | Very low | 33 | Very low | 243 Ų | 243 | 142.5 Ų | 142.5 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | trans | 74.2 | 126 | -178.6 | -65.2 | 175 | 178.1 | 152.4 | 0.2 | 114.1 | ||||
| 478 | V | 30.6 | Very low | 32.9 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | 71 | 120.3 | 69.4 | 169.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 479 | T | 29 | Very low | 32 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | cis | -147.9 | 166.9 | 23.7 | -23.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 480 | E | 31.1 | Very low | 32.2 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -73 | 175 | 152.3 | -124.3 | -141.8 | 107 | 0 | 0 | 110.3 | L482 | E480-L482 PolarHBondContact OE1-N 2.81Š| ||
| 481 | P | 42.6 | Very low | 32.3 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | cis | -147.1 | -176.7 | 31.6 | 42.1 | -20.1 | 0 | 0 | 0 | 119.5 | ||||
| 482 | L | 27 | Very low | 32.8 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | 107.3 | 122.6 | 138.4 | -124.6 | 82.2 | 0 | 0 | 0 | 121.2 | E480 | E480-L482 PolarHBondContact OE1-N 2.81Š| ||
| 483 | I | 33.1 | Very low | 32.9 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | -86 | 165.7 | 160.5 | -75.1 | 162.2 | 0 | 0 | 0 | 108.1 | ||||
| 484 | P | 49.5 | Very low | 33.6 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 63% | 0.63 | 80% | 0.798 | S | S | * | * | cis | -129.5 | -178.6 | 9 | 22.2 | 4.9 | 0 | 0 | 0 | 114.8 | ||||
| 485 | D | 27.6 | Very low | 34.1 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 67% | 0.668 | 80% | 0.804 | S | S | * | * | 158.1 | 147.7 | 94.3 | -118.8 | -34.4 | 0 | 0 | 0 | 117.8 | |||||
| 486 | Y | 29.2 | Very low | 34.4 | Very low | 212 Ų | 212 | 149.7 Ų | 149.7 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | 49.5 | 179.2 | 168.7 | 101.4 | -80.4 | 0 | 0 | 0 | 121.5 | ||||
| 487 | S | 35.2 | Very low | 34.7 | Very low | 92 Ų | 92 | 156.8 Ų | 156.8 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | trans | -151.2 | 172 | -157 | -71.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 488 | L | 33.3 | Very low | 34.8 | Very low | 180 Ų | 180 | 150.1 Ų | 150.1 | 94% | 0.942 | 79% | 0.791 | S | S | * | * | trans | 76.5 | 130.8 | 171.2 | -55 | 170.7 | 0 | 0 | 0 | 116.1 | ||||
| 489 | G | 30.6 | Very low | 34.9 | Very low | 77 Ų | 77 | 150.8 Ų | 150.8 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 153.3 | 16.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | G491 | G489-G491 PolarHBondContact O-N 3.21Š| ||
| 490 | V | 32.9 | Very low | 35.1 | Very low | 156 Ų | 156 | 151.1 Ų | 151.1 | 95% | 0.945 | 78% | 0.776 | S | S | * | * | trans | -72.8 | 95.8 | 179.3 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 491 | G | 35.6 | Very low | 35.1 | Very low | 65 Ų | 65 | 153.6 Ų | 153.6 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | -72.9 | 177.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | G489 | G489-G491 PolarHBondContact O-N 3.21Š| ||
| 492 | R | 38.9 | Very low | 34.8 | Very low | 259 Ų | 259 | 155 Ų | 155 | 98% | 0.977 | 79% | 0.791 | S | S | * | * | trans | -76.9 | 153.5 | 179.6 | -55.5 | 178.3 | -178.6 | -165.5 | 0.5 | 111.9 | ||||
| 493 | G | 35.2 | Very low | 34.9 | Very low | 81 Ų | 81 | 160.1 Ų | 160.1 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 123.7 | 146.4 | 152.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 494 | R | 45.1 | Very low | 34.9 | Very low | 254 Ų | 254 | 157.6 Ų | 157.6 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | trans | -103.9 | 138.4 | 178.6 | -63.6 | 173.4 | 175 | 169.2 | -3.2 | 110.8 | ||||
| 495 | K | 38.2 | Very low | 34.1 | Very low | 217 Ų | 217 | 159.5 Ų | 159.5 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | trans | -143.8 | 166.3 | 150.8 | -141 | 167.7 | -176.6 | 176.2 | 0 | 110.3 | ||||
| 496 | K | 38.8 | Very low | 34.6 | Very low | 205 Ų | 205 | 159.5 Ų | 159.5 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | -132.5 | 170.6 | -158.7 | -174.6 | -175.9 | 174.6 | -170.7 | 0 | 110.9 | ||||
| 497 | R | 35.6 | Very low | 34.7 | Very low | 214 Ų | 214 | 158.7 Ų | 158.7 | 81% | 0.808 | 82% | 0.822 | S | S | * | * | trans | 91.7 | 143.1 | 179.3 | -114.3 | -170.8 | -88 | 144.6 | -9.7 | 113 | ||||
| 498 | D | 31.3 | Very low | 34.8 | Very low | 103 Ų | 103 | 159.3 Ų | 159.3 | 55% | 0.551 | 83% | 0.827 | S | S | * | * | cis | -108.9 | 156.7 | -2.1 | -96.6 | -119.4 | 0 | 0 | 0 | 110.1 | K500 | D498-K500 IonicContact OD1-NZ 3.97Å; D498-K500 PolarHBondContact OD1-NZ 3.22Å | ||
| 499 | E | 32.7 | Very low | 35.5 | Very low | 146 Ų | 146 | 156.5 Ų | 156.5 | 68% | 0.682 | 82% | 0.819 | S | S | * | * | 44.5 | 140.1 | 79.5 | -41.7 | -173.8 | -175.3 | 0 | 0 | 113.8 | |||||
| 500 | K | 33.2 | Very low | 36.6 | Very low | 139 Ų | 139 | 158.3 Ų | 158.3 | 60% | 0.604 | 82% | 0.817 | S | S | * | * | cis | -149.4 | 143 | 17.7 | -12.9 | -154 | 166 | -70.6 | 0 | 107.3 | D498 | D498-K500 IonicContact OD1-NZ 3.97Å; D498-K500 PolarHBondContact OD1-NZ 3.22Å | ||
| 501 | F | 31.8 | Very low | 37.6 | Very low | 209 Ų | 209 | 156.4 Ų | 156.4 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | -165.3 | 155.8 | 95.2 | -104.1 | -79.7 | 0 | 0 | 0 | 112.9 | |||||
| 502 | T | 36 | Very low | 38.7 | Very low | 133 Ų | 133 | 158.8 Ų | 158.8 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | trans | -83.5 | 142.2 | -168.3 | 49.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 503 | R | 28.7 | Very low | 39.5 | Very low | 252 Ų | 252 | 152.4 Ų | 152.4 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | -161.5 | 153.4 | 120.4 | -160.7 | 161.8 | -177.8 | 152.2 | 0.1 | 110.1 | |||||
| 504 | A | 32.9 | Very low | 40.1 | Very low | 93 Ų | 93 | 158 Ų | 158 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -135.7 | 149.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 505 | T | 32.7 | Very low | 40.4 | Very low | 138 Ų | 138 | 151.3 Ų | 151.3 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | -152.1 | 157.3 | 165.1 | 8.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 506 | P | 38.5 | Very low | 40.8 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 164.3 | -151.3 | 31.7 | -37.3 | 0 | 0 | 0 | 116.6 | ||
| 507 | Q | 31.4 | Very low | 40.9 | Very low | 194 Ų | 194 | 142.6 Ų | 142.6 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 146.7 | -178.4 | -63.5 | 172 | -31.2 | 0 | 0 | 112.7 | ||
| 508 | S | 38.1 | Very low | 41.4 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 154.8 | 150.1 | 51.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 509 | P | 48.3 | Very low | 41.8 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 147.9 | -170.3 | 27.4 | -35.2 | 0 | 0 | 0 | 113.5 | ||
| 510 | P | 52.9 | Low | 42.4 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -73 | 157.6 | 174.9 | 31.8 | -35.6 | 0 | 0 | 0 | 112.4 | ||
| 511 | P | 53.8 | Low | 43.3 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 157.3 | 178.1 | 30 | -36.1 | 0 | 0 | 0 | 112.7 | ||
| 512 | P | 59.7 | Low | 44.3 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 151.5 | -179.8 | 27.5 | -35.5 | 0 | 0 | 0 | 112.7 | ||
| 513 | P | 55.1 | Low | 45.2 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 148 | 177.8 | 29.1 | -35 | 0 | 0 | 0 | 111.8 | ||
| 514 | K | 47.3 | Very low | 46.4 | Very low | 199 Ų | 199 | 130.2 Ų | 130.2 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 145.1 | 172.4 | -65.6 | -178.7 | 178.8 | -178.3 | 0 | 110.5 | ||
| 515 | P | 50.4 | Low | 47.5 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 154.9 | 170.5 | 30.1 | -35.4 | 0 | 0 | 0 | 111.2 | ||
| 516 | P | 48.5 | Very low | 48.5 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 155.4 | 170.1 | 30.8 | -35 | 0 | 0 | 0 | 111.5 | ||
| 517 | S | 39.6 | Very low | 49.4 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63 | 145.2 | 173.6 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 518 | P | 46.1 | Very low | 50.9 | Low | 108 Ų | 108 | 126.7 Ų | 126.7 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 142.1 | -176.7 | 29.4 | -35.5 | 0 | 0 | 0 | 112.9 | ||
| 519 | S | 40.1 | Very low | 51.6 | Low | 106 Ų | 106 | 127.5 Ų | 127.5 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 120.9 | 169.8 | 49.1 | 0 | 0 | 0 | 0 | 110.8 | E521 | S519-E521 PolarHBondContact O-N 2.98Å; S519-E521 VanDerWaalsContact O-N 3.1Å |
| 520 | F | 46 | Very low | 51.5 | Low | 186 Ų | 186 | 128.9 Ų | 128.9 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | trans | -82.5 | 76.4 | 173.7 | -77.6 | -86.3 | 0 | 0 | 0 | 111.5 | ||||
| 521 | E | 51.3 | Low | 50.9 | Low | 178 Ų | 178 | 129.9 Ų | 129.9 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -96.8 | 98 | 162.2 | -71.4 | -167.3 | -175.7 | 0 | 0 | 109.5 | S519 G523 | S519-E521 PolarHBondContact O-N 2.98Å; S519-E521 VanDerWaalsContact O-N 3.1Å; E521-G523 VanDerWaalsContact C-N 3.26Å; E521-G523 PolarHBondContact O-N 3.47Å | ||
| 522 | L | 52.4 | Low | 50.9 | Low | 135 Ų | 135 | 128 Ų | 128 | 71% | 0.707 | 76% | 0.762 | S | S | * | * | trans | -77.7 | 75.7 | 176.3 | -72.5 | 170.6 | 0 | 0 | 0 | 110.5 | ||||
| 523 | G | 56 | Low | 50.1 | Low | 42 Ų | 42 | 127.1 Ų | 127.1 | 43% | 0.433 | 76% | 0.764 | S | S | . | * | trans | -57.9 | 147.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111 | E521 S525 S526 | E521-G523 VanDerWaalsContact C-N 3.26Å; E521-G523 PolarHBondContact O-N 3.47Å; G523-S525 PolarHBondContact O-N 3.05Å; G523-S526 VanDerWaalsContact O-CB 3.32Å; G523-S526 WeakPolarHBondContact O-CB 3.41Å; G523-S526 PolarHBondContact O-N 2.86Å | ||
| 524 | L | 53.9 | Low | 49.7 | Very low | 181 Ų | 181 | 126 Ų | 126 | 95% | 0.948 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -6.6 | -173.8 | -65 | 173.9 | 0 | 0 | 0 | 114.8 | ||
| 525 | S | 55.7 | Low | 49.5 | Very low | 118 Ų | 118 | 120.1 Ų | 120.1 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 0.3 | 170.9 | 55.1 | 0 | 0 | 0 | 0 | 114.7 | G523 F527 | G523-S525 PolarHBondContact O-N 3.05Å; S525-F527 VanDerWaalsContact C-N 3.3Å; S525-F527 PolarHBondContact O-N 3.07Å |
| 526 | S | 53.7 | Low | 48.9 | Very low | 73 Ų | 73 | 123.6 Ų | 123.6 | 51% | 0.51 | 77% | 0.768 | S | S | . | * | trans | -83.2 | 4.8 | -176.3 | -167.2 | 0 | 0 | 0 | 0 | 114.9 | G523 | G523-S526 VanDerWaalsContact O-CB 3.32Å; G523-S526 WeakPolarHBondContact O-CB 3.41Å; G523-S526 PolarHBondContact O-N 2.86Å | ||
| 527 | F | 57.4 | Low | 48.2 | Very low | 180 Ų | 180 | 125.8 Ų | 125.8 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -94.7 | 130.1 | 172.2 | -85.1 | -91.5 | 0 | 0 | 0 | 111.1 | S525 | S525-F527 VanDerWaalsContact C-N 3.3Å; S525-F527 PolarHBondContact O-N 3.07Å |
| 528 | P | 62.5 | Low | 47.9 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 141 | 170.1 | 30.1 | -33.6 | 0 | 0 | 0 | 110.3 | ||
| 529 | P | 52.6 | Low | 47.4 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 137.7 | 177.1 | 27.4 | -34.2 | 0 | 0 | 0 | 111.1 | ||
| 530 | L | 46.1 | Very low | 47 | Very low | 148 Ų | 148 | 131 Ų | 131 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 136.6 | -179.1 | -65.9 | 174.3 | 0 | 0 | 0 | 111.6 | G532 | L530-G532 PolarHBondContact O-N 2.65Å; L530-G532 VanDerWaalsContact O-N 3.13Å |
| 531 | P | 40.6 | Very low | 46.1 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 115.3 | 170.3 | -20.8 | 32.7 | 0 | 0 | 0 | 110.7 | ||
| 532 | G | 53.3 | Low | 45.8 | Very low | 76 Ų | 76 | 125.5 Ų | 125.5 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 134.9 | -19 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L530 A534 | L530-G532 PolarHBondContact O-N 2.65Å; L530-G532 VanDerWaalsContact O-N 3.13Å; G532-A534 PolarHBondContact O-N 2.74Å |
| 533 | A | 44.4 | Very low | 44.8 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -78.8 | 60.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 534 | A | 45.8 | Very low | 43.7 | Very low | 102 Ų | 102 | 132 Ų | 132 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -138.7 | 78 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | G532 | G532-A534 PolarHBondContact O-N 2.74Š| ||
| 535 | G | 43.6 | Very low | 42.6 | Very low | 75 Ų | 75 | 127.5 Ų | 127.5 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -143.3 | -19.2 | -158.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 536 | Q | 36.9 | Very low | 41.7 | Very low | 187 Ų | 187 | 130.7 Ų | 130.7 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -175.6 | 137.1 | 161 | -112.6 | -177.5 | 19.2 | 0 | 0 | 112.2 | ||||
| 537 | L | 34.4 | Very low | 41 | Very low | 168 Ų | 168 | 135 Ų | 135 | 88% | 0.88 | 78% | 0.779 | S | S | * | * | trans | -142.7 | 103.4 | 160.1 | -81 | -179.1 | 0 | 0 | 0 | 109.9 | ||||
| 538 | K | 32.2 | Very low | 39.6 | Very low | 201 Ų | 201 | 131 Ų | 131 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -147.1 | 143.2 | 154.6 | -66.4 | -62.6 | 175.8 | -178.6 | 0 | 107.1 | ||||
| 539 | A | 35.7 | Very low | 38.1 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | cis | 162 | 98.2 | -26.3 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 540 | D | 31.5 | Very low | 36.9 | Very low | 158 Ų | 158 | 131.4 Ų | 131.4 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -172.7 | 151.5 | 163.9 | -93.6 | -28.5 | 0 | 0 | 0 | 107 | ||||
| 541 | E | 28.2 | Very low | 36.3 | Very low | 170 Ų | 170 | 130.5 Ų | 130.5 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | cis | -138.6 | 162 | -18.9 | -158.8 | -179 | 153.5 | 0 | 0 | 106.9 | ||||
| 542 | A | 44 | Very low | 35.8 | Very low | 80 Ų | 80 | 130.8 Ų | 130.8 | 66% | 0.661 | 79% | 0.787 | S | S | * | * | trans | -86.2 | 155.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 543 | F | 32.2 | Very low | 34.8 | Very low | 199 Ų | 199 | 135.2 Ų | 135.2 | 87% | 0.873 | 79% | 0.792 | S | S | * | * | -152.5 | 132.6 | 129.2 | -108.7 | -69.4 | 0 | 0 | 0 | 113.5 | |||||
| 544 | D | 33.9 | Very low | 34 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 62% | 0.615 | 79% | 0.79 | S | S | * | * | trans | -38.5 | 151.8 | 159.9 | -99.8 | -53.8 | 0 | 0 | 0 | 114.4 | R546 | D544-R546 IonicContact OD1-CZ 3.99Å; D544-R546 IonicContact OD1-NE 2.99Å; D544-R546 IonicContact OD1-NH2 3.83Å; D544-R546 PolarHBondContact OD1-NH2 3.2Å; D544-R546 IonicContact OD2-NH2 2.85Å; D544-R546 PolarHBondContact OD2-NH2 3.1Å | ||
| 545 | S | 30.8 | Very low | 34.1 | Very low | 86 Ų | 86 | 134.8 Ų | 134.8 | 60% | 0.601 | 79% | 0.786 | S | S | * | * | cis | -175.8 | -161.2 | 1.5 | -139.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 546 | R | 35.5 | Very low | 33.3 | Very low | 185 Ų | 185 | 138 Ų | 138 | 70% | 0.698 | 79% | 0.791 | S | S | * | * | cis | -142.4 | -103.9 | 4.3 | -155.9 | 133.7 | -86.4 | -177.1 | -3.7 | 113.8 | D544 | D544-R546 IonicContact OD1-CZ 3.99Å; D544-R546 IonicContact OD1-NE 2.99Å; D544-R546 IonicContact OD1-NH2 3.83Å; D544-R546 PolarHBondContact OD1-NH2 3.2Å; D544-R546 IonicContact OD2-NH2 2.85Å; D544-R546 PolarHBondContact OD2-NH2 3.1Å | ||
| 547 | L | 38.5 | Very low | 33.5 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -152.9 | 170.6 | -163.4 | -57.5 | 172.3 | 0 | 0 | 0 | 107.1 | ||||
| 548 | A | 28.6 | Very low | 33.2 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | cis | -152.5 | -177 | 19 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 549 | S | 30.5 | Very low | 33.2 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -80.7 | 164.4 | -177.9 | 50.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 550 | S | 27.4 | Very low | 32.7 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -150.5 | 141.7 | 156.3 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 551 | V | 33.2 | Very low | 32.6 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 79% | 0.788 | 78% | 0.777 | S | S | * | * | trans | -138.7 | 147.8 | 174 | 175.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 552 | V | 30.4 | Very low | 32.7 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | 149.9 | 164 | 153.7 | 162.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 553 | L | 33.3 | Very low | 32.7 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -100.3 | 139.9 | -158.7 | -69.3 | 152.7 | 0 | 0 | 0 | 115.6 | ||||
| 554 | G | 27.6 | Very low | 32.7 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | 74.4 | -173 | 150.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 555 | P | 47.1 | Very low | 33.7 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | cis | -134.7 | -165 | -9.6 | 32 | -9.3 | 0 | 0 | 0 | 113.7 | ||||
| 556 | T | 27.6 | Very low | 33.8 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | trans | 79.9 | -179.1 | 163.4 | 73.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 557 | K | 40.1 | Very low | 33.6 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | -160.9 | 165.7 | -147.7 | -179.3 | -152.4 | 163.9 | -154.2 | 0 | 108.2 | ||||
| 558 | E | 29.2 | Very low | 33.1 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 71% | 0.71 | 80% | 0.8 | S | S | * | * | trans | 89.2 | 159.1 | 161.8 | -47.6 | -173.2 | 172.7 | 0 | 0 | 118.6 | ||||
| 559 | R | 31.2 | Very low | 33 | Very low | 238 Ų | 238 | 129.9 Ų | 129.9 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | 79.1 | 135.8 | 168.1 | -146.9 | 171.6 | -171.2 | 128.6 | 5.5 | 116.6 | ||||
| 560 | T | 25.5 | Very low | 33 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | cis | -159.8 | 162.2 | -21.8 | -97.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 561 | V | 30.5 | Very low | 34.8 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -28.4 | 147.6 | 168.2 | -174.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 562 | N | 30.4 | Very low | 35.7 | Very low | 147 Ų | 147 | 130.1 Ų | 130.1 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -41.5 | 160.1 | 167.2 | -50.1 | -17.2 | 0 | 0 | 0 | 117.3 | ||||
| 563 | P | 42.6 | Very low | 35.5 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | trans | -102 | 148.2 | 141.5 | 36 | -27.5 | 0 | 0 | 0 | 112.8 | ||||
| 564 | D | 33.4 | Very low | 35.3 | Very low | 147 Ų | 147 | 123.9 Ų | 123.9 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -118.9 | 161.2 | 164.1 | 177.3 | 40.1 | 0 | 0 | 0 | 107.2 | ||||
| 565 | P | 53.6 | Low | 36.2 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | -156.3 | 147.3 | 110.4 | 36.5 | -16.9 | 0 | 0 | 0 | 119.3 | |||||
| 566 | S | 33.6 | Very low | 35.4 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | 77.1 | 142.6 | 138.9 | 72.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 567 | G | 30.7 | Very low | 35.5 | Very low | 85 Ų | 85 | 130.7 Ų | 130.7 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | cis | 157.3 | 155.4 | -12.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 568 | G | 27.8 | Very low | 36.2 | Very low | 78 Ų | 78 | 128 Ų | 128 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 145 | 120.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 569 | A | 27.1 | Very low | 36.1 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | 65.7 | 171.9 | 146.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 570 | V | 31.7 | Very low | 36 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | -145.3 | -169.3 | -159.7 | -144.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 571 | P | 63.9 | Low | 36 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | -110 | -164.6 | -117.6 | 44.6 | -26.7 | 0 | 0 | 0 | 114.8 | |||||
| 572 | P | 52.3 | Low | 35.9 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | -151.8 | -177 | 83.7 | 41.3 | -21.7 | 0 | 0 | 0 | 117.4 | |||||
| 573 | A | 27 | Very low | 35.8 | Very low | 109 Ų | 109 | 126 Ų | 126 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | trans | 87.3 | 130.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 574 | G | 28.1 | Very low | 35.6 | Very low | 72 Ų | 72 | 124.4 Ų | 124.4 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -135.5 | -145.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 575 | P | 47.5 | Very low | 35.6 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | cis | -137.9 | -157.6 | 4.1 | 43.2 | -23.7 | 0 | 0 | 0 | 114.1 | ||||
| 576 | K | 29.9 | Very low | 34.9 | Very low | 182 Ų | 182 | 125.7 Ų | 125.7 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | 95.2 | 138.8 | 172.8 | -63.1 | -170.9 | 175.5 | -172.9 | 0 | 117 | ||||
| 577 | E | 28.6 | Very low | 36 | Very low | 168 Ų | 168 | 125.5 Ų | 125.5 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | cis | -160.2 | 142.9 | -25.6 | -151.4 | 164.1 | 149.3 | 0 | 0 | 109.8 | ||||
| 578 | P | 54.7 | Low | 36.3 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | trans | -117.8 | 160.3 | -175.5 | 40.9 | -32.2 | 0 | 0 | 0 | 115.4 | ||||
| 579 | L | 28.2 | Very low | 36.4 | Very low | 162 Ų | 162 | 127.6 Ų | 127.6 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -168.4 | 137.4 | 153.7 | -95.9 | 144.7 | 0 | 0 | 0 | 107.4 | ||||
| 580 | R | 29 | Very low | 36.4 | Very low | 231 Ų | 231 | 132.6 Ų | 132.6 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | cis | 75.7 | 92.9 | 34.3 | -91 | -167.7 | 176.9 | -175.3 | 1.2 | 116.9 | ||||
| 581 | S | 26.4 | Very low | 36.7 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -178 | 145.7 | 134.9 | -77.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 582 | S | 27.4 | Very low | 35.2 | Very low | 119 Ų | 119 | 134 Ų | 134 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | cis | 83.5 | 69.8 | 24.5 | -167.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 583 | A | 27.8 | Very low | 33.9 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | trans | -157 | 143.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 584 | S | 39.1 | Very low | 35.2 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -131.3 | 145.6 | 160.4 | -178.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 585 | P | 33.6 | Very low | 35.3 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | -139.4 | 165.3 | 110.9 | 35.4 | -22 | 0 | 0 | 0 | 114.8 | |||||
| 586 | L | 38.4 | Very low | 34.4 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | -122.8 | 175.3 | 179 | -84 | 164.1 | 0 | 0 | 0 | 109.7 | ||||
| 587 | P | 57.5 | Low | 35.3 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | cis | -98.6 | -89.5 | -3.6 | 14.4 | 7.1 | 0 | 0 | 0 | 113.6 | ||||
| 588 | P | 36.3 | Very low | 35.3 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | cis | -104.7 | -176.5 | -0.2 | 42 | -34.3 | 0 | 0 | 0 | 114.4 | ||||
| 589 | S | 29.8 | Very low | 34.4 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | trans | -157.4 | 147.8 | 164.9 | 171.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 590 | F | 27.2 | Very low | 35.9 | Very low | 209 Ų | 209 | 124.1 Ų | 124.1 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | trans | -147.5 | 109.3 | 159 | -79.5 | -62.6 | 0 | 0 | 0 | 113.8 | ||||
| 591 | Q | 38 | Very low | 37 | Very low | 161 Ų | 161 | 119.4 Ų | 119.4 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -101.1 | 152.3 | 150.6 | -177 | -171.2 | -1.1 | 0 | 0 | 107.3 | ||||
| 592 | P | 32.6 | Very low | 37.2 | Very low | 118 Ų | 118 | 119.7 Ų | 119.7 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | trans | -145.9 | 169 | 134.5 | 38.1 | -23.5 | 0 | 0 | 0 | 115.6 | ||||
| 593 | S | 25 | Very low | 37.2 | Very low | 98 Ų | 98 | 119.4 Ų | 119.4 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | -104.6 | -168.5 | 163.6 | -54.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 594 | P | 54.3 | Low | 37.2 | Very low | 101 Ų | 101 | 120 Ų | 120 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | trans | -89.3 | 162.9 | -151.2 | 36.3 | -40.3 | 0 | 0 | 0 | 118.7 | ||||
| 595 | S | 29.1 | Very low | 36.8 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | 91 | 131.1 | 144.8 | -66.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 596 | A | 28.4 | Very low | 36.4 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | trans | 88.1 | 167.7 | 147.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 597 | P | 50.1 | Low | 36.9 | Very low | 116 Ų | 116 | 122 Ų | 122 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | -140.3 | -179.5 | -111.9 | 38.1 | -16.1 | 0 | 0 | 0 | 117.9 | |||||
| 598 | T | 27.8 | Very low | 35.4 | Very low | 139 Ų | 139 | 119.8 Ų | 119.8 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | 133.7 | 146.9 | 145.5 | -52.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 599 | A | 35.4 | Very low | 35.3 | Very low | 84 Ų | 84 | 120.9 Ų | 120.9 | 69% | 0.694 | 77% | 0.766 | S | S | * | * | trans | -111.8 | -150.3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 600 | P | 59.7 | Low | 36.1 | Very low | 103 Ų | 103 | 122 Ų | 122 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | cis | -128.4 | -175.4 | -37 | 39.4 | -25.2 | 0 | 0 | 0 | 113 | ||||
| 601 | P | 52.9 | Low | 36.1 | Very low | 132 Ų | 132 | 119.5 Ų | 119.5 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | -126.4 | 176.7 | 118.2 | 37.7 | -32.6 | 0 | 0 | 0 | 113.2 | |||||
| 602 | T | 30.6 | Very low | 35.8 | Very low | 126 Ų | 126 | 117.4 Ų | 117.4 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -145.6 | 131.6 | -169.1 | -46.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 603 | S | 28.3 | Very low | 36.7 | Very low | 114 Ų | 114 | 117.8 Ų | 117.8 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -172.8 | 135.4 | 165 | -81.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 604 | T | 27.9 | Very low | 36.8 | Very low | 117 Ų | 117 | 117.3 Ų | 117.3 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | cis | -158 | 163.6 | -13.6 | -46.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 605 | L | 29.1 | Very low | 36.7 | Very low | 163 Ų | 163 | 117.9 Ų | 117.9 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | 92 | 129.3 | 164.4 | -56.3 | 177.4 | 0 | 0 | 0 | 119.4 | ||||
| 606 | T | 26.4 | Very low | 36.6 | Very low | 133 Ų | 133 | 117.9 Ų | 117.9 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | -136.7 | -164.7 | -177.6 | 55.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 607 | P | 48.2 | Very low | 36.7 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | cis | -130.9 | -178.8 | 0.1 | 41.5 | -22.6 | 0 | 0 | 0 | 114.8 | ||||
| 608 | G | 25.7 | Very low | 35.7 | Very low | 63 Ų | 63 | 117 Ų | 117 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | cis | 167.6 | 179.9 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 609 | T | 34.6 | Very low | 35.9 | Very low | 137 Ų | 137 | 117.7 Ų | 117.7 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | 27.7 | 154.3 | 150.7 | 38 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 610 | P | 47.9 | Very low | 35.5 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | cis | -136.9 | -168.4 | -2.4 | 38.3 | -17.3 | 0 | 0 | 0 | 115.3 | ||||
| 611 | L | 26.8 | Very low | 34.3 | Very low | 157 Ų | 157 | 122 Ų | 122 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -75.8 | 168 | 169.5 | -54.3 | 77.8 | 0 | 0 | 0 | 112.7 | ||||
| 612 | S | 31.8 | Very low | 33.1 | Very low | 117 Ų | 117 | 125 Ų | 125 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | -177.9 | -165.3 | 121.3 | -66.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 613 | P | 50 | Low | 33.1 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | -129.1 | -170.4 | -124.1 | 31.5 | -4.6 | 0 | 0 | 0 | 116.2 | |||||
| 614 | A | 29.1 | Very low | 33.2 | Very low | 89 Ų | 89 | 122.5 Ų | 122.5 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -70.4 | 173.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 615 | P | 50.7 | Low | 33.1 | Very low | 113 Ų | 113 | 125.3 Ų | 125.3 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | cis | -143.4 | -168 | 14.8 | 42 | -20.6 | 0 | 0 | 0 | 117.5 | ||||
| 616 | S | 27 | Very low | 32.9 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | 88.8 | 118.8 | 149 | -63.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 617 | A | 30.9 | Very low | 33 | Very low | 91 Ų | 91 | 126.1 Ų | 126.1 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | 78.4 | 123.2 | 126.5 | 0 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 618 | S | 29.2 | Very low | 32 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | 86.5 | 131.1 | 124.1 | -77.9 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 619 | L | 33.1 | Very low | 32.1 | Very low | 152 Ų | 152 | 125.8 Ų | 125.8 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | 72 | 154.5 | 144.8 | -60.5 | 168.7 | 0 | 0 | 0 | 119.5 | ||||
| 620 | E | 26.3 | Very low | 31.6 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | cis | -163.5 | 137.2 | -24 | -174.2 | -177.3 | 141.2 | 0 | 0 | 112.2 | ||||
| 621 | V | 33.8 | Very low | 30.6 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | 26.8 | 135.2 | 152.1 | -176 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 622 | K | 28.3 | Very low | 30.5 | Very low | 195 Ų | 195 | 130 Ų | 130 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | 167.9 | 135.6 | 106.4 | -149.4 | 160 | -173.9 | 174 | 0 | 118.2 | |||||
| 623 | A | 30.1 | Very low | 30.8 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 59.4 | 163.3 | 150.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 624 | A | 30.9 | Very low | 29.8 | Very low | 90 Ų | 90 | 131.9 Ų | 131.9 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | cis | -171.4 | 151.2 | -34 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 625 | E | 25.3 | Very low | 29.6 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 73.6 | 147 | 144.8 | -128.1 | -172.7 | 123.9 | 0 | 0 | 126.7 | ||||
| 626 | T | 25.3 | Very low | 28.5 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | 76 | 162.6 | 159.8 | 70.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 627 | K | 27.6 | Very low | 28.4 | Very low | 191 Ų | 191 | 135.5 Ų | 135.5 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | cis | -175.4 | 141.8 | -47.8 | -176.3 | -179.8 | 174.8 | -175 | 0 | 111.2 | ||||
| 628 | A | 28.8 | Very low | 29 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | 64.7 | 169.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 629 | A | 27.6 | Very low | 28.9 | Very low | 88 Ų | 88 | 136.9 Ų | 136.9 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | -169.7 | 161.2 | -36.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 630 | E | 23.1 | Very low | 28.9 | Very low | 196 Ų | 196 | 135.4 Ų | 135.4 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | trans | 51 | 134.3 | 144.6 | -163.7 | 173.9 | 149.7 | 0 | 0 | 123.4 | ||||
| 631 | A | 26.8 | Very low | 28.9 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | 165.6 | 158.9 | 131.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 632 | K | 25.5 | Very low | 28.8 | Very low | 203 Ų | 203 | 136.9 Ų | 136.9 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -100.2 | 155.5 | -174.7 | -94.7 | -178.7 | 178.8 | 172.1 | 0 | 115.5 | ||||
| 633 | P | 37.1 | Very low | 29 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | -106.4 | -176.7 | 145.1 | 40.1 | -31.4 | 0 | 0 | 0 | 112.4 | ||||
| 634 | K | 29.9 | Very low | 29.8 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | trans | -162 | 141.8 | -174.2 | -152.3 | -179 | 172.4 | -116 | 0 | 114.5 | ||||
| 635 | E | 24 | Very low | 29.7 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | trans | 62.2 | 160.6 | 156.2 | -76.8 | 156.9 | 164.9 | 0 | 0 | 120.2 | ||||
| 636 | A | 27.8 | Very low | 29.8 | Very low | 77 Ų | 77 | 131.4 Ų | 131.4 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | -165.8 | 146.9 | -21.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 637 | L | 25 | Very low | 30.4 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | 47.4 | 144.3 | 142.2 | -63.4 | 171.1 | 0 | 0 | 0 | 120.9 | ||||
| 638 | P | 44.1 | Very low | 30.4 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | cis | -87.3 | -148.2 | 21.5 | -15.4 | 37 | 0 | 0 | 0 | 116.7 | ||||
| 639 | S | 27.3 | Very low | 30.6 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | cis | -157.6 | 174.1 | 31 | -55.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 640 | V | 32.3 | Very low | 30.8 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -138.9 | 147.2 | -177.6 | 163.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 641 | E | 25.6 | Very low | 31.4 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | cis | -132.8 | 162.2 | 10.2 | -136.1 | 153.8 | 99.8 | 0 | 0 | 109 | ||||
| 642 | R | 32.9 | Very low | 31.7 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | cis | 75.6 | 131.5 | 25.5 | 176.4 | -92.6 | -69.9 | 154.7 | 14.4 | 115.1 | ||||
| 643 | V | 32 | Very low | 32.1 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 70% | 0.697 | 77% | 0.768 | S | S | * | * | cis | -152.4 | 132.2 | -34.6 | 64.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 644 | P | 46.8 | Very low | 31.7 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | -123 | 163.7 | 146.9 | 37.5 | -28.7 | 0 | 0 | 0 | 110.5 | ||||
| 645 | G | 28 | Very low | 31.9 | Very low | 66 Ų | 66 | 132.2 Ų | 132.2 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | cis | -152.5 | 57.7 | -14 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 646 | T | 29.1 | Very low | 32.1 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | 49 | 99.6 | 154.7 | 55.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 647 | L | 36.5 | Very low | 32.7 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 94% | 0.942 | 80% | 0.795 | S | S | * | * | -84.8 | 163.9 | 129.1 | -72.7 | 167.1 | 0 | 0 | 0 | 108.9 | |||||
| 648 | S | 28.1 | Very low | 33.1 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -156.3 | 138.5 | 161.4 | -160.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 649 | T | 32.2 | Very low | 32.9 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | -145 | 169.2 | 168.4 | 54.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 650 | A | 32.1 | Very low | 33.2 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 80.4 | 165.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 651 | S | 36.3 | Very low | 33.7 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -129.4 | 149.6 | -152.9 | -30 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 652 | K | 34.1 | Very low | 34.4 | Very low | 208 Ų | 208 | 133.8 Ų | 133.8 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | trans | -157.1 | 159.3 | 146.7 | -130.9 | 171.4 | -176.1 | 174.7 | 0 | 114.7 | ||||
| 653 | S | 32.7 | Very low | 35.5 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | trans | -82.7 | 145.7 | -176.9 | 54 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 654 | V | 28.5 | Very low | 36.8 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | trans | -131.4 | 142 | 154.6 | 176.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 655 | Q | 34.7 | Very low | 37.4 | Very low | 191 Ų | 191 | 141.9 Ų | 141.9 | 89% | 0.893 | 84% | 0.836 | S | S | * | * | trans | -80.7 | 126.5 | 175.4 | -69 | 176.9 | -12.6 | 0 | 0 | 110.7 | ||||
| 656 | V | 28.9 | Very low | 39.4 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | -136.5 | 133 | 159.4 | 177.2 | 0 | 0 | 0 | 0 | 107.4 | G658 | V656-G658 PolarHBondContact O-N 2.88Š| ||
| 657 | N | 38.8 | Very low | 41.1 | Very low | 171 Ų | 171 | 139 Ų | 139 | 91% | 0.914 | 81% | 0.809 | S | S | * | * | trans | -73.7 | 115.2 | 176.4 | -68.5 | -39.5 | 0 | 0 | 0 | 109.8 | ||||
| 658 | G | 35.1 | Very low | 42.1 | Very low | 70 Ų | 70 | 139.4 Ų | 139.4 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | -171.2 | 127.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V656 A660 | V656-G658 PolarHBondContact O-N 2.88Å; G658-A660 PolarHBondContact O-N 2.78Å | ||
| 659 | A | 39.5 | Very low | 44 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | trans | -78 | 124.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 660 | A | 32.8 | Very low | 45.8 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -136.2 | 92.3 | 168 | 0 | 0 | 0 | 0 | 0 | 108.7 | G658 E662 | G658-A660 PolarHBondContact O-N 2.78Å; A660-E662 PolarHBondContact O-N 3.06Å | ||
| 661 | T | 43 | Very low | 47.9 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | -73.4 | 122.7 | 172.6 | 44.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 662 | E | 39.4 | Very low | 49.5 | Very low | 183 Ų | 183 | 130.8 Ų | 130.8 | 86% | 0.855 | 72% | 0.724 | S | S | * | * | trans | -47.6 | 148.8 | 164.9 | -172.2 | -179.5 | -176 | 0 | 0 | 111.7 | A660 R664 | A660-E662 PolarHBondContact O-N 3.06Å; E662-R664 PolarHBondContact O-N 3.35Å | ||
| 663 | L | 56 | Low | 51.3 | Low | 177 Ų | 177 | 127.1 Ų | 127.1 | 93% | 0.927 | 71% | 0.71 | S | S | * | * | trans | -73.1 | 62.3 | -172.3 | -74.7 | 172 | 0 | 0 | 0 | 113.9 | ||||
| 664 | R | 61.2 | Low | 52.6 | Low | 219 Ų | 219 | 131.1 Ų | 131.1 | 83% | 0.826 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 130.8 | 163.9 | -166.6 | -178 | -172.7 | 93.9 | 0.4 | 109 | E662 | E662-R664 PolarHBondContact O-N 3.35Š|
| 665 | K | 58.3 | Low | 53.8 | Low | 194 Ų | 194 | 128.9 Ų | 128.9 | 84% | 0.843 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 122.3 | 169 | -63.2 | 177.2 | -177.5 | 177 | 0 | 108.1 | ||
| 666 | P | 70.8 | Confident | 55 | Low | 71 Ų | 71 | 128.2 Ų | 128.2 | 46% | 0.461 | 70% | 0.698 | S | S | . | * | P | Polyproline II helix | trans | -64.5 | 140.2 | -174 | 25.2 | -33.7 | 0 | 0 | 0 | 110.8 | E670 I671 | P666-E670 HydrophobicContact CB-CB 4.4Å; P666-I671 HydrophobicContact CB-CG1 4.14Å; P666-I671 HydrophobicContact CG-CD1 4.23Å; P666-I671 HydrophobicContact CG-CG1 4.07Å |
| 667 | S | 63.3 | Low | 56 | Low | 67 Ų | 67 | 128.4 Ų | 128.4 | 47% | 0.469 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 148.3 | 172.7 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | A669 E670 I671 | S667-A669 PolarHBondContact O-N 3.47Å; S667-A669 VanDerWaalsContact O-N 3.1Å; S667-E670 VanDerWaalsContact CB-OE2 3.31Å; S667-E670 WeakPolarHBondContact CB-OE2 3.31Å; S667-E670 PolarHBondContact N-OE2 3.33Å; S667-E670 WeakPolarHBondContact O-CB 3.5Å; S667-E670 PolarHBondContact O-N 3.14Å; S667-I671 PolarHBondContact O-N 3.23Å |
| 668 | Y | 57.5 | Low | 55.9 | Low | 188 Ų | 188 | 124.1 Ų | 124.1 | 74% | 0.737 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -52.1 | -36.3 | 177.8 | -176.3 | -103.7 | 0 | 0 | 0 | 112.3 | E670 I671 C672 | Y668-E670 PolarHBondContact O-N 2.82Å; Y668-I671 PolarHBondContact O-N 2.99Å; Y668-C672 PolarHBondContact O-N 3.46Å; Y668-C672 PolarHBondContact O-SG 3.11Å; Y668-C672 VanDerWaalsContact O-SG 3.33Å |
| 669 | A | 68.6 | Low | 56 | Low | 56 Ų | 56 | 126.6 Ų | 126.6 | 46% | 0.463 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -63.1 | -37.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S667 Q673 | S667-A669 PolarHBondContact O-N 3.47Å; S667-A669 VanDerWaalsContact O-N 3.1Å; A669-Q673 WeakPolarHBondContact O-CG 3.41Å; A669-Q673 PolarHBondContact O-N 3.45Å; A669-Q673 VanDerWaalsContact O-N 3.14Å |
| 670 | E | 71.3 | Confident | 55.6 | Low | 79 Ų | 79 | 126.7 Ų | 126.7 | 37% | 0.369 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -71 | -36.3 | 178 | -61.8 | 173.9 | 84.9 | 0 | 0 | 111.4 | P666 S667 Y668 Q673 R674 | P666-E670 HydrophobicContact CB-CB 4.4Å; S667-E670 VanDerWaalsContact CB-OE2 3.31Å; S667-E670 WeakPolarHBondContact CB-OE2 3.31Å; S667-E670 PolarHBondContact N-OE2 3.33Å; S667-E670 WeakPolarHBondContact O-CB 3.5Å; S667-E670 PolarHBondContact O-N 3.14Å; Y668-E670 PolarHBondContact O-N 2.82Å; E670-Q673 PolarHBondContact O-N 3.41Å; E670-R674 WeakPolarHBondContact O-CG 3.32Å; E670-R674 PolarHBondContact O-N 3.05Å |
| 671 | I | 74.8 | Confident | 55.5 | Low | 92 Ų | 92 | 128 Ų | 128 | 47% | 0.472 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -64.1 | -46.5 | 175.3 | -57.3 | 172.2 | 0 | 0 | 0 | 109.8 | P666 S667 Y668 Q673 R674 A675 | P666-I671 HydrophobicContact CB-CG1 4.14Å; P666-I671 HydrophobicContact CG-CD1 4.23Å; P666-I671 HydrophobicContact CG-CG1 4.07Å; S667-I671 PolarHBondContact O-N 3.23Å; Y668-I671 PolarHBondContact O-N 2.99Å; I671-Q673 VanDerWaalsContact C-N 3.3Å; I671-Q673 PolarHBondContact O-N 3.3Å; I671-R674 PolarHBondContact O-N 3.5Å; I671-A675 PolarHBondContact O-N 3.37Å |
| 672 | C | 69.5 | Low | 54.9 | Low | 64 Ų | 64 | 127.8 Ų | 127.8 | 43% | 0.432 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -65.1 | -28 | 178.1 | -67.7 | 0 | 0 | 0 | 0 | 114 | Y668 | Y668-C672 PolarHBondContact O-N 3.46Å; Y668-C672 PolarHBondContact O-SG 3.11Å; Y668-C672 VanDerWaalsContact O-SG 3.33Å |
| 673 | Q | 73.4 | Confident | 54.4 | Low | 131 Ų | 131 | 127.8 Ų | 127.8 | 61% | 0.612 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -78.2 | -45.9 | 174.8 | -73 | 179.1 | 7.2 | 0 | 0 | 111.9 | A669 E670 I671 A675 K676 | A669-Q673 WeakPolarHBondContact O-CG 3.41Å; A669-Q673 PolarHBondContact O-N 3.45Å; A669-Q673 VanDerWaalsContact O-N 3.14Å; E670-Q673 PolarHBondContact O-N 3.41Å; I671-Q673 VanDerWaalsContact C-N 3.3Å; I671-Q673 PolarHBondContact O-N 3.3Å; Q673-A675 PolarHBondContact O-N 3.06Å; Q673-A675 VanDerWaalsContact O-N 3.1Å; Q673-K676 WeakPolarHBondContact O-CB 3.43Å; Q673-K676 PolarHBondContact O-N 3.43Å |
| 674 | R | 58.7 | Low | 53.1 | Low | 190 Ų | 190 | 124.8 Ų | 124.8 | 72% | 0.717 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -59.9 | -25.3 | 178.8 | -70.8 | 179.8 | -169.5 | -145.3 | 5 | 113.9 | E670 I671 K676 | E670-R674 WeakPolarHBondContact O-CG 3.32Å; E670-R674 PolarHBondContact O-N 3.05Å; I671-R674 PolarHBondContact O-N 3.5Å; R674-K676 PolarHBondContact O-N 3.32Å |
| 675 | A | 54.7 | Low | 51.6 | Low | 86 Ų | 86 | 118.8 Ų | 118.8 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I671 Q673 | I671-A675 PolarHBondContact O-N 3.37Å; Q673-A675 PolarHBondContact O-N 3.06Å; Q673-A675 VanDerWaalsContact O-N 3.1Å |
| 676 | K | 58.9 | Low | 50.3 | Low | 178 Ų | 178 | 115.9 Ų | 115.9 | 77% | 0.774 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | -18.9 | -169.8 | -147.6 | 174.9 | -176 | -176.6 | 0 | 114.8 | Q673 R674 | Q673-K676 WeakPolarHBondContact O-CB 3.43Å; Q673-K676 PolarHBondContact O-N 3.43Å; R674-K676 PolarHBondContact O-N 3.32Å |
| 677 | D | 49.7 | Very low | 48.2 | Very low | 134 Ų | 134 | 117.8 Ų | 117.8 | 72% | 0.717 | 68% | 0.676 | S | S | * | * | trans | -109.4 | 26.9 | -172.3 | -62.8 | -48.1 | 0 | 0 | 0 | 114 | P679 | D677-P679 WeakPolarHBondContact O-CD 3.39Š| ||
| 678 | A | 37.3 | Very low | 46.5 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 67% | 0.669 | 70% | 0.696 | S | S | * | * | trans | -91.1 | 111.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 679 | P | 37.9 | Very low | 45 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 79% | 0.792 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 130.8 | -171.7 | 30.1 | -34.8 | 0 | 0 | 0 | 113.5 | D677 P681 | D677-P679 WeakPolarHBondContact O-CD 3.39Å; P679-P681 WeakPolarHBondContact O-CD 3.18Å |
| 680 | T | 30.4 | Very low | 43 | Very low | 113 Ų | 113 | 125.9 Ų | 125.9 | 69% | 0.693 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 125.4 | 175.7 | -50.5 | 0 | 0 | 0 | 0 | 112.5 | L682 | T680-L682 HydrophobicContact CG2-CD2 4.39Å; T680-L682 HydrophobicContact CG2-CG 4.33Å |
| 681 | P | 31.7 | Very low | 41 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 126.1 | 160.9 | -10.2 | 27.7 | 0 | 0 | 0 | 109.8 | P679 | P679-P681 WeakPolarHBondContact O-CD 3.18Š|
| 682 | L | 29.9 | Very low | 38.9 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | trans | -109.1 | 160.8 | 177.2 | -79.1 | 171.4 | 0 | 0 | 0 | 112 | T680 | T680-L682 HydrophobicContact CG2-CD2 4.39Å; T680-L682 HydrophobicContact CG2-CG 4.33Å | ||
| 683 | H | 29.3 | Very low | 36.7 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | 73.3 | 145.4 | 174.5 | -49.9 | -79.9 | 0 | 0 | 0 | 115.4 | ||||
| 684 | S | 27.7 | Very low | 34.2 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | cis | -141.1 | 166.5 | -0.3 | 54.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 685 | A | 30.4 | Very low | 32.7 | Very low | 93 Ų | 93 | 131 Ų | 131 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -100.9 | 145.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 686 | P | 29.7 | Very low | 31.5 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -84 | 151.4 | 161.7 | 34.4 | -32 | 0 | 0 | 0 | 111 | ||||
| 687 | S | 27.1 | Very low | 30.5 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -113.1 | 145.4 | -173.2 | 57.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 688 | K | 27.9 | Very low | 29.4 | Very low | 204 Ų | 204 | 128.4 Ų | 128.4 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | 54 | 130.5 | 152.8 | -71.3 | -172.5 | 174.9 | -176.9 | 0 | 120.1 | ||||
| 689 | E | 27.3 | Very low | 29 | Very low | 184 Ų | 184 | 128.1 Ų | 128.1 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -55.1 | 139.6 | 155 | 177.4 | -175.3 | 178.1 | 0 | 0 | 112.7 | ||||
| 690 | A | 25 | Very low | 28.4 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -154 | 122.6 | 160 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 691 | K | 30.8 | Very low | 28.2 | Very low | 198 Ų | 198 | 131.5 Ų | 131.5 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -104.9 | 138.6 | 159 | -85.4 | -176.5 | 175.6 | 176.6 | 0 | 109.1 | ||||
| 692 | P | 28.8 | Very low | 28.2 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | -132.1 | 155.7 | 120 | 38 | -26.3 | 0 | 0 | 0 | 109.9 | |||||
| 693 | S | 23.5 | Very low | 28.1 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | cis | 65.5 | 128 | 47.4 | -164 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 694 | C | 21.9 | Very low | 28.2 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | cis | -164.6 | -174.9 | -12.5 | -116.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 695 | V | 26.4 | Very low | 28 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | 72.2 | 118.9 | 164.8 | -164.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 696 | A | 30.1 | Very low | 27.5 | Very low | 97 Ų | 97 | 137.8 Ų | 137.8 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -128.1 | 136.1 | 146.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 697 | P | 37.1 | Very low | 27.3 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | trans | -101.8 | 154.1 | -175.2 | 37.1 | -33.8 | 0 | 0 | 0 | 115.1 | ||||
| 698 | T | 27 | Very low | 27.2 | Very low | 142 Ų | 142 | 136 Ų | 136 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | trans | 62.3 | 116.7 | 149 | 50.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 699 | G | 28.2 | Very low | 27 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 99 | 142.3 | 142.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 700 | E | 26.3 | Very low | 27 | Very low | 177 Ų | 177 | 127.7 Ų | 127.7 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | cis | -162.7 | 150.1 | -17.7 | -131.8 | 178.3 | 160.8 | 0 | 0 | 111.3 | ||||
| 701 | E | 26 | Very low | 28.4 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 61% | 0.607 | 78% | 0.783 | S | S | * | * | trans | 60.1 | 136.5 | 153 | -65.1 | -134.1 | 77.9 | 0 | 0 | 126.1 | ||||
| 702 | R | 32.2 | Very low | 28.7 | Very low | 198 Ų | 198 | 125.7 Ų | 125.7 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | trans | 73.9 | 93 | 140 | -74.8 | -179.2 | -87.9 | 129.6 | -6.8 | 124.5 | ||||
| 703 | K | 28.5 | Very low | 28.6 | Very low | 186 Ų | 186 | 123.6 Ų | 123.6 | 81% | 0.809 | 78% | 0.78 | S | S | * | * | 64 | 90.2 | 108.2 | -165 | 78 | 173 | -174.8 | 0 | 122.3 | |||||
| 704 | C | 30.9 | Very low | 28.7 | Very low | 119 Ų | 119 | 125 Ų | 125 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | 41.8 | 118.6 | 127.4 | -51 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 705 | S | 22.4 | Very low | 29.2 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -164 | 119.9 | 140.7 | 54 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 706 | D | 20.9 | Very low | 29.6 | Very low | 164 Ų | 164 | 129.9 Ų | 129.9 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | 82.5 | 160.8 | 77.5 | -164.6 | 30.6 | 0 | 0 | 0 | 114.3 | |||||
| 707 | A | 25.1 | Very low | 30.7 | Very low | 89 Ų | 89 | 131 Ų | 131 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | 87.4 | 117.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 708 | S | 25.3 | Very low | 30.3 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -60.5 | 154.9 | 162.8 | 172.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 709 | S | 24.4 | Very low | 30.6 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -176 | 155.7 | 136.8 | 39.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 710 | A | 25.7 | Very low | 30.9 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -161.9 | 173.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 711 | P | 54.7 | Low | 30.9 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | cis | -92.5 | -110.9 | -20 | 36.6 | -23.9 | 0 | 0 | 0 | 109.1 | ||||
| 712 | P | 37.1 | Very low | 31.6 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | -108.9 | -171.9 | -13.2 | 43.5 | -31.6 | 0 | 0 | 0 | 112.7 | ||||
| 713 | G | 26.2 | Very low | 32.2 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | cis | 168.7 | 138.7 | -15.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 714 | E | 26.4 | Very low | 33.8 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | trans | 60.7 | 149 | 171.4 | -58.5 | -147.3 | 108.4 | 0 | 0 | 118.1 | K716 | E714-K716 IonicContact OE1-NZ 2.99Å; E714-K716 PolarHBondContact OE1-NZ 3.46Å | ||
| 715 | H | 31.9 | Very low | 33.9 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | cis | -125.5 | 174.2 | 25.3 | -69.7 | -91.5 | 0 | 0 | 0 | 116.4 | ||||
| 716 | K | 35.8 | Very low | 34.3 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | trans | -92 | -179.3 | -171.3 | -62.9 | 177.9 | 175.2 | 94.6 | 0 | 113.6 | E714 | E714-K716 IonicContact OE1-NZ 2.99Å; E714-K716 PolarHBondContact OE1-NZ 3.46Å | ||
| 717 | P | 52.8 | Low | 34.9 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | cis | -136 | 163.6 | -30.3 | 30 | -11.3 | 0 | 0 | 0 | 115.5 | ||||
| 718 | R | 28.7 | Very low | 35.1 | Very low | 244 Ų | 244 | 138.4 Ų | 138.4 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | 165.7 | 140.8 | 116.9 | -171.2 | 167.1 | -174 | 172.7 | 2.4 | 112.3 | |||||
| 719 | E | 32.7 | Very low | 36.6 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | trans | -129.7 | 175.1 | -171.9 | -82.2 | -140.1 | 89.3 | 0 | 0 | 111.7 | ||||
| 720 | T | 34.6 | Very low | 36.9 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 55% | 0.546 | 78% | 0.779 | S | S | . | * | cis | -176.1 | 161.6 | -27.1 | -78.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 721 | Y | 27.4 | Very low | 37.4 | Very low | 202 Ų | 202 | 138.3 Ų | 138.3 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | 144.2 | 140.6 | 135.9 | -85.5 | -72.8 | 0 | 0 | 0 | 119.7 | ||||
| 722 | H | 39.2 | Very low | 36.4 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | -154.7 | 150.4 | 166.7 | -80.3 | -62.2 | 0 | 0 | 0 | 110.2 | ||||
| 723 | P | 45.2 | Very low | 36.2 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -135.3 | 150 | 163.9 | 37.2 | -22.9 | 0 | 0 | 0 | 116.7 | ||||
| 724 | P | 63.2 | Low | 36.4 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -138.2 | -160.1 | -178.7 | 45.2 | -29.5 | 0 | 0 | 0 | 117.4 | ||||
| 725 | S | 33.1 | Very low | 37.5 | Very low | 98 Ų | 98 | 144.4 Ų | 144.4 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | 93.6 | 162.6 | 173.5 | 77.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 726 | R | 30.4 | Very low | 37.3 | Very low | 236 Ų | 236 | 143.3 Ų | 143.3 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | cis | -140 | -154 | 22.5 | -60.5 | 179.4 | -176 | 176.6 | 2.9 | 113.9 | ||||
| 727 | S | 33.5 | Very low | 37.1 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -168.2 | 151.1 | -151.4 | 56.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 728 | G | 28.1 | Very low | 36 | Very low | 76 Ų | 76 | 145.2 Ų | 145.2 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | 80.3 | 179.7 | 145.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 729 | P | 56.9 | Low | 36.1 | Very low | 128 Ų | 128 | 137 Ų | 137 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | cis | -146.4 | 174.9 | -14.7 | 43.5 | -24.8 | 0 | 0 | 0 | 119 | ||||
| 730 | A | 31.8 | Very low | 35.9 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | 61 | 157.7 | 146.7 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 731 | S | 34.8 | Very low | 36 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | cis | -167.7 | 163.3 | -28.7 | 64.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 732 | T | 34.3 | Very low | 36.8 | Very low | 130 Ų | 130 | 145 Ų | 145 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | trans | 67.3 | 121.6 | 143.2 | 44.6 | 0 | 0 | 0 | 0 | 127.8 | ||||
| 733 | A | 33.1 | Very low | 36.4 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | 100.5 | 154.4 | 123.4 | 0 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 734 | R | 30.3 | Very low | 35.8 | Very low | 238 Ų | 238 | 137.8 Ų | 137.8 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | -114.2 | 176.5 | -174.2 | -91.8 | -175.1 | -179.9 | -174.6 | 1.2 | 109.9 | ||||
| 735 | P | 49.6 | Very low | 34.3 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | cis | -134.9 | -139.4 | 33.7 | 31.6 | -3 | 0 | 0 | 0 | 113.3 | ||||
| 736 | L | 28.3 | Very low | 34.6 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | cis | -152.3 | -111.9 | 12.3 | -168.7 | 42.2 | 0 | 0 | 0 | 116.1 | ||||
| 737 | K | 32 | Very low | 34.6 | Very low | 160 Ų | 160 | 134 Ų | 134 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | trans | -152.8 | 128.2 | -159.7 | -112.2 | 172.8 | 169.6 | -79.2 | 0 | 114.3 | ||||
| 738 | E | 29.5 | Very low | 34.8 | Very low | 165 Ų | 165 | 132 Ų | 132 | 77% | 0.771 | 75% | 0.747 | S | S | * | * | 50.9 | 116.2 | 114.4 | -167.5 | 176 | -132.6 | 0 | 0 | 121.8 | |||||
| 739 | G | 29.7 | Very low | 35.3 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | -175.1 | 105 | 167 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 740 | R | 29.5 | Very low | 34.4 | Very low | 255 Ų | 255 | 133.8 Ų | 133.8 | 96% | 0.962 | 75% | 0.745 | S | S | * | * | trans | 42.4 | 138.5 | 153.3 | -53.2 | -173.7 | -163.6 | -103.5 | 2.2 | 123.4 | ||||
| 741 | R | 36.9 | Very low | 34.7 | Very low | 238 Ų | 238 | 135 Ų | 135 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | trans | -69.5 | 167.2 | 158 | -75.9 | 178.1 | 178.1 | 168.8 | -0.4 | 111.4 | ||||
| 742 | P | 43.3 | Very low | 34.7 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | cis | -158.1 | 162.5 | 42.1 | 44.2 | -21.7 | 0 | 0 | 0 | 123 | ||||
| 743 | A | 31.8 | Very low | 35.1 | Very low | 110 Ų | 110 | 139 Ų | 139 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | 53.2 | 137.1 | 134.8 | 0 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 744 | G | 31 | Very low | 35 | Very low | 50 Ų | 50 | 137.4 Ų | 137.4 | 52% | 0.515 | 75% | 0.748 | S | S | . | * | trans | 134.9 | 155.9 | 151.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 745 | R | 32.8 | Very low | 35.3 | Very low | 197 Ų | 197 | 136 Ų | 136 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | cis | -160 | 162.8 | -15.9 | -109.7 | -66.4 | 178.7 | -142.1 | -4.5 | 109.4 | P349 | P349-R745 CarbonylContact O-C 3.43Å; P349-R745 VanDerWaalsContact O-O 3.08Å | ||
| 746 | W | 38.8 | Very low | 34.9 | Very low | 139 Ų | 139 | 136 Ų | 136 | 53% | 0.527 | 75% | 0.748 | S | S | . | * | trans | -146.5 | 125.2 | -148.5 | -42.9 | 123.5 | 0 | 0 | 0 | 119.1 | P349 L350 Y351 | P349-W746 CarbonylContact O-C 2.96Å; P349-W746 WeakPolarHBondContact O-CA 3.37Å; P349-W746 PolarHBondContact O-N 3.1Å; P349-W746 VanDerWaalsContact O-N 3.15Å; L350-W746 HydrophobicContact CB-CE3 3.84Å; L350-W746 HydrophobicContact CB-CZ3 4.35Å; Y351-W746 HydrophobicContact CD1-CB 3.25Å; Y351-W746 HydrophobicContact CD1-CG 4.05Å; Y351-W746 HydrophobicContact CE1-CB 3.86Å; Y351-W746 HydrophobicContact CG-CB 3.67Å | ||
| 747 | A | 31.4 | Very low | 35.2 | Very low | 40 Ų | 40 | 134.2 Ų | 134.2 | 33% | 0.331 | 75% | 0.748 | S | S | . | * | trans | -174.5 | 141.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | P349 L350 | P349-A747 CarbonylContact C-O 3.53Å; P349-A747 VanDerWaalsContact C-O 3.31Å; P349-A747 HydrophobicContact CG-CB 4.41Å; P349-A747 PolarHBondContact O-N 3.35Å; L350-A747 CarbonylContact C-O 3.51Å; L350-A747 VanDerWaalsContact C-O 3.26Å; L350-A747 WeakPolarHBondContact CA-O 3.35Å; L350-A747 PolarHBondContact N-O 2.88Å; L350-A747 CarbonylContact O-C 3.59Å | ||
| 748 | S | 38 | Very low | 35 | Very low | 80 Ų | 80 | 132 Ų | 132 | 56% | 0.559 | 75% | 0.753 | S | S | * | * | trans | -106.1 | 179.6 | -164.1 | -41.4 | 0 | 0 | 0 | 0 | 115.8 | L350 Y351 | L350-S748 WeakPolarHBondContact O-CA 3.43Å; L350-S748 PolarHBondContact O-N 3.04Å; L350-S748 PolarHBondContact O-OG 2.75Å; Y351-S748 VanDerWaalsContact CB-OG 3.25Å; Y351-S748 WeakPolarHBondContact CB-OG 3.46Å | ||
| 749 | P | 38.3 | Very low | 35.1 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | trans | -91.3 | 168.1 | -170.7 | 36.4 | -34.6 | 0 | 0 | 0 | 116.9 | ||||
| 750 | P | 37.3 | Very low | 35.2 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | -103.1 | 179.2 | -165.8 | 41.7 | -36.8 | 0 | 0 | 0 | 116.2 | ||||
| 751 | P | 38.6 | Very low | 35.4 | Very low | 123 Ų | 123 | 128 Ų | 128 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | trans | -104.4 | 174.7 | -162.5 | 40.6 | -36.4 | 0 | 0 | 0 | 117 | ||||
| 752 | H | 34.4 | Very low | 35.3 | Very low | 186 Ų | 186 | 125.1 Ų | 125.1 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | trans | -110.9 | 150.5 | 177.3 | -70.7 | -75.7 | 0 | 0 | 0 | 114.5 | ||||
| 753 | P | 42.1 | Very low | 35 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 85% | 0.851 | 73% | 0.732 | S | S | * | * | trans | -87.1 | -178.3 | 174.1 | 37.6 | -36.7 | 0 | 0 | 0 | 112.9 | ||||
| 754 | G | 31.6 | Very low | 35.4 | Very low | 72 Ų | 72 | 127.7 Ų | 127.7 | 74% | 0.742 | 72% | 0.721 | S | S | * | * | trans | -170.7 | -171.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 755 | K | 37.3 | Very low | 36.1 | Very low | 208 Ų | 208 | 130.9 Ų | 130.9 | 90% | 0.904 | 73% | 0.733 | S | S | * | * | trans | 68.8 | 147.9 | -177.7 | -63 | -172.3 | 176.1 | -178.1 | 0 | 116.3 | ||||
| 756 | P | 41.3 | Very low | 37 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | -145.9 | 163.2 | 96.9 | 39.1 | -24.7 | 0 | 0 | 0 | 116.5 | |||||
| 757 | S | 33 | Very low | 37 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | 60.5 | 165.2 | 158.5 | 42.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 758 | S | 28.6 | Very low | 37.4 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | cis | -174.6 | 152 | -13.3 | 162.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 759 | R | 31.2 | Very low | 38.2 | Very low | 202 Ų | 202 | 136.2 Ų | 136.2 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | cis | -170.6 | 169.4 | -19.8 | -170.7 | -173.7 | -178.7 | -100.6 | -1.5 | 107.1 | ||||
| 760 | D | 32.3 | Very low | 38.2 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 69% | 0.69 | 81% | 0.811 | S | S | * | * | trans | 74.2 | 162.5 | 162.6 | -64 | -54.1 | 0 | 0 | 0 | 120.3 | ||||
| 761 | A | 34.2 | Very low | 38.3 | Very low | 78 Ų | 78 | 144.7 Ų | 144.7 | 65% | 0.645 | 81% | 0.813 | S | S | * | * | trans | -123.5 | 168.4 | -155.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 762 | H | 34.4 | Very low | 38.3 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 82% | 0.819 | 81% | 0.814 | S | S | * | * | 177.8 | 161.5 | 114.5 | -101.5 | -80.3 | 0 | 0 | 0 | 113.6 | |||||
| 763 | H | 35.7 | Very low | 38.5 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 80% | 0.801 | 81% | 0.811 | S | S | * | * | trans | 79.4 | 160 | 158.4 | -101.4 | -82.3 | 0 | 0 | 0 | 122.1 | ||||
| 764 | T | 40.4 | Very low | 38.3 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 69% | 0.687 | 81% | 0.809 | S | S | * | * | trans | -111.6 | 157.1 | -159.1 | 40.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 765 | P | 46.6 | Very low | 38.7 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 141.3 | -179.6 | 31.9 | -35 | 0 | 0 | 0 | 113.1 | ||
| 766 | P | 52 | Low | 38.8 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 162.3 | 167.1 | 32.7 | -34.1 | 0 | 0 | 0 | 112 | ||
| 767 | K | 38.9 | Very low | 38.6 | Very low | 203 Ų | 203 | 147.1 Ų | 147.1 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 152.8 | -179 | -65.1 | 176.5 | -179.8 | 175.2 | 0 | 112.2 | ||
| 768 | S | 38.8 | Very low | 39 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 143.6 | 169.9 | -39.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 769 | P | 55.2 | Low | 39.9 | Very low | 123 Ų | 123 | 152.3 Ų | 152.3 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | trans | -80.4 | 177.9 | 156.2 | 35.7 | -32.8 | 0 | 0 | 0 | 111.4 | ||||
| 770 | Q | 39.1 | Very low | 40.7 | Very low | 273 Ų | 273 | 147.8 Ų | 147.8 | 100% | 1.276 | 82% | 0.816 | S | S | * | * | trans | -82.8 | 0 | 173.3 | -64.6 | 176.4 | -110.4 | 0 | 0 | 112.2 |
Retrieved 770 of 770 residues in 157.3 ms
(Link to these results)