| 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 | 46.5 | Very low | 49.8 | Very low | 247 Ų | 247 | 150.9 Ų | 150.9 | 100% | 1.217 | 85% | 0.854 | S | S | * | * | 0 | 108.7 | 0 | -71.4 | 172.7 | 175.1 | 0 | 0 | 107.2 | |||||
| 2 | T | 44.2 | Very low | 49.5 | Very low | 143 Ų | 143 | 148.6 Ų | 148.6 | 88% | 0.877 | 85% | 0.849 | S | S | * | * | trans | -141.4 | 124 | -174.1 | 32 | 0 | 0 | 0 | 0 | 106.5 | E4 | T2-E4 PolarHBondContact O-N 3.41Š| ||
| 3 | A | 50.7 | Low | 49.3 | Very low | 103 Ų | 103 | 147.2 Ų | 147.2 | 85% | 0.851 | 85% | 0.849 | S | S | * | * | trans | -82.9 | 117.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 4 | E | 46 | Very low | 48.8 | Very low | 170 Ų | 170 | 144 Ų | 144 | 79% | 0.794 | 85% | 0.849 | S | S | * | * | trans | -82.5 | 129 | 170.4 | -173.6 | 170.4 | 88 | 0 | 0 | 109.2 | T2 | T2-E4 PolarHBondContact O-N 3.41Š| ||
| 5 | V | 55.2 | Low | 48 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 84% | 0.836 | 86% | 0.855 | S | S | * | * | trans | -107.2 | 99.2 | -179.5 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 6 | Q | 53.1 | Low | 47.6 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 72% | 0.72 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 137.4 | -174.3 | -162.4 | 69 | -5.3 | 0 | 0 | 112.7 | ||
| 7 | Q | 47.2 | Very low | 47.4 | Very low | 176 Ų | 176 | 144.3 Ų | 144.3 | 82% | 0.822 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 130.7 | 176.7 | -172.5 | 176.8 | 21.5 | 0 | 0 | 111.7 | ||
| 8 | P | 61.9 | Low | 47.6 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 73% | 0.727 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 157.7 | 174.2 | 33.3 | -33.9 | 0 | 0 | 0 | 113.3 | ||
| 9 | P | 51.9 | Low | 47.1 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 84% | 0.844 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 172.2 | -167.9 | 37.1 | -37.8 | 0 | 0 | 0 | 115.4 | ||
| 10 | A | 40.8 | Very low | 46.6 | Very low | 100 Ų | 100 | 144.5 Ų | 144.5 | 83% | 0.826 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 160.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 11 | Q | 50.3 | Low | 46.5 | Very low | 187 Ų | 187 | 142 Ų | 142 | 87% | 0.874 | 85% | 0.85 | S | S | * | * | trans | -136.1 | 150.1 | 168.7 | -69.8 | -172.9 | -15.2 | 0 | 0 | 111.3 | ||||
| 12 | P | 46.5 | Very low | 46.5 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | trans | -102.8 | -167.6 | -176.8 | 47.8 | -40.5 | 0 | 0 | 0 | 110.7 | ||||
| 13 | P | 47.2 | Very low | 46.1 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 84% | 0.844 | 83% | 0.834 | S | S | * | * | -111.4 | 163.9 | -127.4 | 34 | -15.7 | 0 | 0 | 0 | 116 | |||||
| 14 | A | 41.1 | Very low | 45.6 | Very low | 103 Ų | 103 | 143 Ų | 143 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | trans | -117.1 | 143.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 15 | Q | 37.7 | Very low | 45.6 | Very low | 201 Ų | 201 | 140.7 Ų | 140.7 | 94% | 0.939 | 83% | 0.832 | S | S | * | * | trans | -106.5 | 147.7 | 175.3 | -66 | -179.9 | -11.1 | 0 | 0 | 110.9 | ||||
| 16 | S | 41.8 | Very low | 44.9 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | trans | -149.4 | 150.1 | 162.8 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 17 | S | 44.4 | Very low | 43.9 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | trans | -94.4 | 174.2 | -173.7 | -48.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 18 | P | 50.1 | Low | 43.3 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | -136.7 | 166.4 | 110.2 | 37.6 | -28.1 | 0 | 0 | 0 | 114.8 | |||||
| 19 | M | 38.3 | Very low | 41.9 | Very low | 178 Ų | 178 | 140.2 Ų | 140.2 | 88% | 0.877 | 84% | 0.839 | S | S | * | * | trans | -80 | 153.7 | 179.5 | -61.8 | 123.7 | 58.6 | 0 | 0 | 113.5 | ||||
| 20 | S | 37.2 | Very low | 41 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | -173.2 | 152.8 | 116.2 | -79.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 21 | A | 45.2 | Very low | 41.2 | Very low | 93 Ų | 93 | 142.1 Ų | 142.1 | 77% | 0.769 | 84% | 0.838 | S | S | * | * | trans | -131.4 | 168.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 22 | P | 46.6 | Very low | 40.6 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 83% | 0.831 | 84% | 0.843 | S | S | * | * | trans | -127.7 | 170.1 | 145.6 | 35.3 | -23.7 | 0 | 0 | 0 | 113.1 | ||||
| 23 | E | 35.2 | Very low | 40.4 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 92% | 0.921 | 84% | 0.844 | S | S | * | * | trans | -97.9 | -178.6 | -157.5 | -62.1 | 172.4 | 90.9 | 0 | 0 | 115.9 | ||||
| 24 | K | 40.7 | Very low | 39.7 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 83% | 0.826 | 84% | 0.839 | S | S | * | * | trans | -115.6 | 148.4 | 169.7 | -59.3 | 174.3 | -178.4 | 173.1 | 0 | 110.8 | ||||
| 25 | P | 46.2 | Very low | 39.5 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 79% | 0.786 | 83% | 0.834 | S | S | * | * | trans | -94.9 | 168 | 156 | 35.3 | -30.7 | 0 | 0 | 0 | 112.7 | ||||
| 26 | H | 39.5 | Very low | 39.7 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 89% | 0.894 | 83% | 0.829 | S | S | * | * | trans | -152.9 | 152.8 | 174.8 | -116.3 | 55.1 | 0 | 0 | 0 | 112.5 | ||||
| 27 | G | 32.9 | Very low | 39.5 | Very low | 74 Ų | 74 | 139.3 Ų | 139.3 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | trans | 120.9 | 148.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 28 | Q | 34.2 | Very low | 39.5 | Very low | 177 Ų | 177 | 140.4 Ų | 140.4 | 83% | 0.827 | 83% | 0.825 | S | S | * | * | cis | -162.1 | 153.1 | -13.6 | -152.6 | -173 | 25.8 | 0 | 0 | 110 | ||||
| 29 | T | 32.5 | Very low | 39 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 77% | 0.767 | 82% | 0.818 | S | S | * | * | trans | 62.3 | 164.2 | 173.4 | 70.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 30 | V | 33.8 | Very low | 39.4 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | cis | -128.7 | 158.6 | 5.1 | -166.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 31 | V | 43.4 | Very low | 39.6 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | -86.2 | 137 | 172 | -72.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 32 | M | 39.1 | Very low | 39.7 | Very low | 197 Ų | 197 | 145.5 Ų | 145.5 | 97% | 0.97 | 82% | 0.816 | S | S | * | * | trans | -154.3 | 149.6 | 148.7 | -139.3 | 166.7 | -170.8 | 0 | 0 | 110.7 | ||||
| 33 | E | 41.5 | Very low | 39.6 | Very low | 177 Ų | 177 | 149 Ų | 149 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | trans | -94.6 | 160.5 | -171.5 | -161.8 | -170.8 | 112.2 | 0 | 0 | 112.1 | ||||
| 34 | T | 32.3 | Very low | 40.3 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | 151.4 | 146.1 | 130.9 | -67.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 35 | A | 38.1 | Very low | 40.7 | Very low | 90 Ų | 90 | 142.5 Ų | 142.5 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | trans | 62.8 | 99.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 36 | S | 41.8 | Very low | 40.8 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -66 | 137 | 154.4 | 51.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 37 | S | 35.8 | Very low | 41.4 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -139.7 | 107.4 | 160.2 | 63.5 | 0 | 0 | 0 | 0 | 110.9 | T39 | S37-T39 VanDerWaalsContact C-N 3.34Å; S37-T39 PolarHBondContact O-N 3.17Å | ||
| 38 | T | 46.1 | Very low | 42.7 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -78.4 | 78.5 | -174.7 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | K40 | T38-K40 PolarHBondContact O-N 2.93Š| ||
| 39 | T | 39.7 | Very low | 44.1 | Very low | 116 Ų | 116 | 139 Ų | 139 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | trans | -71.2 | 116.2 | 164.1 | 53.3 | 0 | 0 | 0 | 0 | 108.9 | S37 T41 | S37-T39 VanDerWaalsContact C-N 3.34Å; S37-T39 PolarHBondContact O-N 3.17Å; T39-T41 VanDerWaalsContact C-N 3.34Å; T39-T41 PolarHBondContact O-N 2.88Å | ||
| 40 | K | 45.7 | Very low | 45.8 | Very low | 200 Ų | 200 | 143.9 Ų | 143.9 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | -71.1 | 88.9 | 179.2 | -71.9 | 177.9 | 179.2 | 173.5 | 0 | 109.5 | T38 K42 | T38-K40 PolarHBondContact O-N 2.93Å; K40-K42 PolarHBondContact O-N 3.09Å | ||
| 41 | T | 40.8 | Very low | 48 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | trans | -59.1 | 97.4 | 174.7 | -32.8 | 0 | 0 | 0 | 0 | 108.8 | T39 K43 | T39-T41 VanDerWaalsContact C-N 3.34Å; T39-T41 PolarHBondContact O-N 2.88Å; T41-K43 VanDerWaalsContact C-N 3.26Å; T41-K43 PolarHBondContact O-N 3.01Å | ||
| 42 | K | 48.1 | Very low | 50 | Low | 189 Ų | 189 | 142.7 Ų | 142.7 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -66.7 | 86 | -176.1 | -175.2 | 178.4 | -175.1 | 174.2 | 0 | 108.6 | K40 T44 | K40-K42 PolarHBondContact O-N 3.09Å; K42-T44 PolarHBondContact O-N 3.46Å | ||
| 43 | K | 45.2 | Very low | 52.4 | Low | 202 Ų | 202 | 139.1 Ų | 139.1 | 88% | 0.878 | 74% | 0.743 | S | S | * | * | trans | -46.8 | 96.8 | -172.8 | -168.5 | 173.2 | -174 | 174.9 | 0 | 109.5 | T41 N45 | T41-K43 VanDerWaalsContact C-N 3.26Å; T41-K43 PolarHBondContact O-N 3.01Å; K43-N45 PolarHBondContact O-N 2.69Å | ||
| 44 | T | 49.5 | Very low | 54.8 | Low | 118 Ų | 118 | 131.4 Ų | 131.4 | 72% | 0.724 | 71% | 0.709 | S | S | * | * | trans | -69 | 105.7 | -174.5 | 32.4 | 0 | 0 | 0 | 0 | 106.8 | K42 A46 | K42-T44 PolarHBondContact O-N 3.46Å; T44-A46 PolarHBondContact O-N 3.4Å | ||
| 45 | N | 48.4 | Very low | 57.6 | Low | 133 Ų | 133 | 130.6 Ų | 130.6 | 71% | 0.711 | 71% | 0.705 | S | S | * | * | trans | -69.7 | 83.2 | 171.7 | -166.9 | -8.5 | 0 | 0 | 0 | 108.3 | K43 G47 | K43-N45 PolarHBondContact O-N 2.69Å; N45-G47 PolarHBondContact OD1-N 3.25Å | ||
| 46 | A | 48.7 | Very low | 60.2 | Low | 79 Ų | 79 | 130 Ų | 130 | 65% | 0.653 | 68% | 0.684 | S | S | * | * | trans | -86.7 | 15 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T44 I48 | T44-A46 PolarHBondContact O-N 3.4Å; A46-I48 PolarHBondContact O-N 3.46Å | ||
| 47 | G | 51.2 | Low | 62.7 | Low | 47 Ų | 47 | 125.9 Ų | 125.9 | 49% | 0.485 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -58.3 | 102.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | N45 R49 | N45-G47 PolarHBondContact OD1-N 3.25Å; G47-R49 PolarHBondContact O-N 2.9Å |
| 48 | I | 60.6 | Low | 65.6 | Low | 158 Ų | 158 | 123.3 Ų | 123.3 | 81% | 0.81 | 63% | 0.631 | S | S | * | * | trans | 33.1 | 68 | 171.4 | -50.4 | 78.3 | 0 | 0 | 0 | 112.2 | A46 R50 | A46-I48 PolarHBondContact O-N 3.46Å; I48-R50 PolarHBondContact O-N 3.48Å | ||
| 49 | R | 64.6 | Low | 68 | Low | 206 Ų | 206 | 118.5 Ų | 118.5 | 78% | 0.777 | 60% | 0.599 | S | S | * | * | trans | -58.7 | 114 | 167.9 | -75.1 | -164.6 | 176.9 | -166.7 | 0.7 | 108 | G47 | G47-R49 PolarHBondContact O-N 2.9Š| ||
| 50 | R | 68.2 | Low | 70.7 | Confident | 229 Ų | 229 | 113.1 Ų | 113.1 | 86% | 0.864 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 127 | 177.5 | -65 | -174.6 | -178 | 96.8 | -1.3 | 107.8 | I48 E52 | I48-R50 PolarHBondContact O-N 3.48Å; R50-E52 PolarHBondContact O-N 3.17Å |
| 51 | P | 80.3 | Confident | 73.1 | Confident | 66 Ų | 66 | 103.8 Ų | 103.8 | 43% | 0.429 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 133.9 | -177 | 19.5 | -32 | 0 | 0 | 0 | 110.4 | P88 F89 | P51-P88 HydrophobicContact CB-CB 3.85Å; P51-P88 HydrophobicContact CG-CB 4.33Å; P51-F89 WeakPolarHBondContact O-CD2 3.09Å |
| 52 | E | 85.5 | Confident | 75.8 | Confident | 179 Ų | 179 | 97.6 Ų | 97.6 | 84% | 0.836 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 145 | -172.5 | -166.1 | 173.6 | 161.3 | 0 | 0 | 111.5 | R50 P54 | R50-E52 PolarHBondContact O-N 3.17Å; E52-P54 WeakPolarHBondContact O-CD 3.41Å |
| 53 | K | 88.6 | Confident | 78.2 | Confident | 122 Ų | 122 | 88.6 Ų | 88.6 | 53% | 0.53 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 123.9 | 178.5 | -177.5 | 176.7 | 178.9 | 177.4 | 0 | 109.7 | F89 | K53-F89 HydrophobicContact CB-CD2 4.07Å; K53-F89 HydrophobicContact CB-CE1 4.48Å; K53-F89 HydrophobicContact CB-CE2 3.83Å; K53-F89 HydrophobicContact CB-CG 4.5Å; K53-F89 HydrophobicContact CB-CZ 4.06Å; K53-F89 HydrophobicContact CD-CE1 4.5Å; K53-F89 HydrophobicContact CD-CZ 4.14Å; K53-F89 HydrophobicContact CG-CD1 4.4Å; K53-F89 HydrophobicContact CG-CE1 4Å; K53-F89 HydrophobicContact CG-CE2 4.2Å; K53-F89 HydrophobicContact CG-CZ 3.9Å |
| 54 | P | 90.8 | Very high | 80.6 | Confident | 16 Ų | 16 | 80.5 Ų | 80.5 | 10% | 0.104 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 143.2 | -178.7 | -26.2 | 34.3 | 0 | 0 | 0 | 112.8 | E52 Y56 L61 F87 F90 | E52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-Y56 HydrophobicContact CB-CD2 3.72Å; P54-Y56 HydrophobicContact CB-CE2 4.33Å; P54-Y56 PolarHBondContact O-N 3.14Å; P54-L61 HydrophobicContact CB-CD2 4.47Å; P54-F87 HydrophobicContact CB-CD1 3.95Å; P54-F87 HydrophobicContact CB-CE1 4.13Å; P54-F87 HydrophobicContact CB-CG 4.46Å; P54-F87 HydrophobicContact CG-CB 3.8Å; P54-F87 HydrophobicContact CG-CD1 3.53Å; P54-F87 HydrophobicContact CG-CE1 4.21Å; P54-F87 HydrophobicContact CG-CG 3.7Å; P54-F90 HydrophobicContact CG-CE2 4.34Å |
| 55 | P | 91.1 | Very high | 82.9 | Confident | 103 Ų | 103 | 74.9 Ų | 74.9 | 67% | 0.669 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -75.6 | 31 | -173.5 | 32.3 | -37.8 | 0 | 0 | 0 | 114.5 | ||
| 56 | Y | 93.4 | Very high | 85.2 | Confident | 76 Ų | 76 | 68.6 Ų | 68.6 | 30% | 0.298 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -115.6 | 156.5 | -172.5 | -57.5 | -66.8 | 0 | 0 | 0 | 111.4 | P54 L61 M64 F87 F142 | P54-Y56 HydrophobicContact CB-CD2 3.72Å; P54-Y56 HydrophobicContact CB-CE2 4.33Å; P54-Y56 PolarHBondContact O-N 3.14Å; Y56-L61 HydrophobicContact CD2-CD2 4.19Å; Y56-L61 HydrophobicContact CG-CD2 4.49Å; Y56-M64 HydrophobicContact CD1-CE 4.1Å; Y56-M64 HydrophobicContact CD2-CE 3.86Å; Y56-M64 HydrophobicContact CE1-CE 4.4Å; Y56-M64 HydrophobicContact CE2-CE 4.18Å; Y56-M64 HydrophobicContact CG-CE 3.83Å; Y56-F87 HydrophobicContact CD2-CE1 4.31Å; Y56-F87 HydrophobicContact CD2-CZ 4.32Å; Y56-F87 HydrophobicContact CE2-CE1 4.07Å; Y56-F87 HydrophobicContact CE2-CZ 4.29Å; Y56-F142 HydrophobicContact CD1-CB 3.85Å; Y56-F142 HydrophobicContact CE1-CB 3.83Å |
| 57 | S | 95 | Very high | 87.4 | Confident | 34 Ų | 34 | 66.9 Ų | 66.9 | 24% | 0.238 | 33% | 0.325 | C | S | . | . | trans | -77.5 | 160.1 | 166.6 | 60.5 | 0 | 0 | 0 | 0 | 110.6 | I59 A60 L61 | S57-I59 PolarHBondContact O-N 3.11Å; S57-A60 PolarHBondContact O-N 3.38Å; S57-A60 VanDerWaalsContact O-N 3.16Å; S57-A60 WeakPolarHBondContact OG-CB 3.36Å; S57-A60 PolarHBondContact OG-N 3.24Å; S57-L61 WeakPolarHBondContact O-CB 3.49Å; S57-L61 VanDerWaalsContact O-CG 3.3Å; S57-L61 WeakPolarHBondContact O-CG 3.36Å; S57-L61 PolarHBondContact O-N 3.15Å | ||
| 58 | Y | 96.9 | Very high | 89.5 | Confident | 49 Ų | 49 | 68 Ų | 68 | 19% | 0.192 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.8 | -33.7 | 170.9 | -72.1 | -63.7 | 0 | 0 | 0 | 112.2 | L61 I62 F90 W97 S100 V101 | Y58-L61 HydrophobicContact CD1-CD1 4.08Å; Y58-L61 PolarHBondContact O-N 2.96Å; Y58-I62 WeakPolarHBondContact O-CB 3.33Å; Y58-I62 WeakPolarHBondContact O-CD1 3.45Å; Y58-I62 WeakPolarHBondContact O-CG1 3.34Å; Y58-I62 PolarHBondContact O-N 3.02Å; Y58-F90 HydrophobicContact CE1-CE1 4.32Å; Y58-W97 HydrophobicContact CE1-CB 4.42Å; Y58-S100 PolarHBondContact OH-OG 3.24Å; Y58-V101 HydrophobicContact CD1-CG2 4.21Å |
| 59 | I | 96.2 | Very high | 91.2 | Very high | 37 Ų | 37 | 61 Ų | 61 | 19% | 0.19 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.3 | -56.4 | 171.3 | -53.2 | 171.5 | 0 | 0 | 0 | 110.3 | S57 L61 I62 V63 N108 F111 F137 | S57-I59 PolarHBondContact O-N 3.11Å; I59-L61 VanDerWaalsContact C-N 3.29Å; I59-L61 PolarHBondContact O-N 3.25Å; I59-I62 PolarHBondContact O-N 2.78Å; I59-I62 VanDerWaalsContact O-N 3.16Å; I59-V63 HydrophobicContact CG2-CG2 4.43Å; I59-V63 WeakPolarHBondContact O-CG2 3.23Å; I59-V63 PolarHBondContact O-N 3.24Å; I59-N108 VanDerWaalsContact CD1-OD1 3.24Å; I59-N108 WeakPolarHBondContact CD1-OD1 3.49Å; I59-F111 HydrophobicContact CB-CE2 4.39Å; I59-F111 HydrophobicContact CB-CZ 4.38Å; I59-F111 HydrophobicContact CG1-CE2 4.49Å; I59-F111 HydrophobicContact CG2-CE2 3.98Å; I59-F111 HydrophobicContact CG2-CZ 3.77Å; I59-F137 HydrophobicContact CG2-CE1 4.01Å; I59-F137 HydrophobicContact CG2-CZ 3.79Å |
| 60 | A | 95.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 2% | 0.017 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.5 | -36 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S57 V63 M64 F142 | S57-A60 PolarHBondContact O-N 3.38Å; S57-A60 VanDerWaalsContact O-N 3.16Å; S57-A60 WeakPolarHBondContact OG-CB 3.36Å; S57-A60 PolarHBondContact OG-N 3.24Å; A60-V63 PolarHBondContact O-N 3.29Å; A60-M64 WeakPolarHBondContact O-CB 3.38Å; A60-M64 WeakPolarHBondContact O-CE 3.5Å; A60-M64 WeakPolarHBondContact O-CG 3.39Å; A60-M64 PolarHBondContact O-N 2.83Å; A60-F142 HydrophobicContact CB-CB 4.22Å; A60-F142 HydrophobicContact CB-CD1 4.3Å; A60-F142 WeakPolarHBondContact CB-O 3.13Å |
| 61 | L | 96.8 | Very high | 94 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 175.1 | -72.9 | 168.4 | 0 | 0 | 0 | 112.7 | P54 Y56 S57 Y58 I59 M64 A65 L83 F87 F90 | P54-L61 HydrophobicContact CB-CD2 4.47Å; Y56-L61 HydrophobicContact CD2-CD2 4.19Å; Y56-L61 HydrophobicContact CG-CD2 4.49Å; S57-L61 WeakPolarHBondContact O-CB 3.49Å; S57-L61 VanDerWaalsContact O-CG 3.3Å; S57-L61 WeakPolarHBondContact O-CG 3.36Å; S57-L61 PolarHBondContact O-N 3.15Å; Y58-L61 HydrophobicContact CD1-CD1 4.08Å; Y58-L61 PolarHBondContact O-N 2.96Å; I59-L61 VanDerWaalsContact C-N 3.29Å; I59-L61 PolarHBondContact O-N 3.25Å; L61-M64 HydrophobicContact CD2-CE 3.97Å; L61-A65 PolarHBondContact O-N 3.04Å; L61-L83 HydrophobicContact CB-CD2 3.8Å; L61-L83 HydrophobicContact CD2-CD2 4.03Å; L61-L83 HydrophobicContact CG-CD2 4.43Å; L61-F87 HydrophobicContact CD2-CD2 4Å; L61-F87 HydrophobicContact CD2-CE2 3.47Å; L61-F87 VanDerWaalsContact CD2-CE2 3.47Å; L61-F87 HydrophobicContact CD2-CZ 3.84Å; L61-F90 HydrophobicContact CD1-CE2 4.22Å; L61-F90 HydrophobicContact CD1-CZ 3.75Å; L61-F90 HydrophobicContact CD2-CE2 4.35Å |
| 62 | I | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.9 | -43.7 | 175.6 | -67 | 159.8 | 0 | 0 | 0 | 110.5 | Y58 I59 M64 A65 I66 I79 V101 N104 L105 F111 | Y58-I62 WeakPolarHBondContact O-CB 3.33Å; Y58-I62 WeakPolarHBondContact O-CD1 3.45Å; Y58-I62 WeakPolarHBondContact O-CG1 3.34Å; Y58-I62 PolarHBondContact O-N 3.02Å; I59-I62 PolarHBondContact O-N 2.78Å; I59-I62 VanDerWaalsContact O-N 3.16Å; I62-M64 PolarHBondContact O-N 3.22Å; I62-A65 WeakPolarHBondContact O-CB 3.4Å; I62-A65 PolarHBondContact O-N 3Å; I62-A65 VanDerWaalsContact O-N 3.13Å; I62-I66 HydrophobicContact CG2-CD1 3.75Å; I62-I66 HydrophobicContact CG2-CG1 4.36Å; I62-I66 WeakPolarHBondContact O-CG1 3.41Å; I62-I66 PolarHBondContact O-N 3.34Å; I62-I79 HydrophobicContact CG1-CG2 4.27Å; I62-I79 HydrophobicContact CG2-CD1 4.33Å; I62-V101 HydrophobicContact CD1-CG1 4.26Å; I62-V101 HydrophobicContact CG1-CG1 4.29Å; I62-N104 HydrophobicContact CD1-CB 3.92Å; I62-L105 HydrophobicContact CD1-CD2 4.18Å; I62-L105 HydrophobicContact CD1-CG 4.04Å; I62-L105 HydrophobicContact CG2-CD2 3.71Å; I62-F111 HydrophobicContact CB-CE1 3.99Å; I62-F111 HydrophobicContact CB-CE2 4.27Å; I62-F111 HydrophobicContact CB-CZ 3.64Å; I62-F111 HydrophobicContact CD1-CE2 4.05Å; I62-F111 HydrophobicContact CD1-CZ 4.29Å; I62-F111 HydrophobicContact CG2-CD1 3.87Å; I62-F111 HydrophobicContact CG2-CE1 3.37Å; I62-F111 HydrophobicContact CG2-CE2 4.13Å; I62-F111 HydrophobicContact CG2-CG 4.44Å; I62-F111 HydrophobicContact CG2-CZ 3.51Å |
| 63 | V | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.5 | -49.8 | 176.6 | 167.9 | 0 | 0 | 0 | 0 | 111 | I59 A60 A65 I66 Q67 F111 I129 F137 F142 | I59-V63 HydrophobicContact CG2-CG2 4.43Å; I59-V63 WeakPolarHBondContact O-CG2 3.23Å; I59-V63 PolarHBondContact O-N 3.24Å; A60-V63 PolarHBondContact O-N 3.29Å; V63-A65 PolarHBondContact O-N 2.9Å; V63-I66 PolarHBondContact O-N 3.16Å; V63-I66 VanDerWaalsContact O-N 3.15Å; V63-Q67 HydrophobicContact CG1-CG 4.03Å; V63-Q67 WeakPolarHBondContact O-CB 3.38Å; V63-Q67 WeakPolarHBondContact O-CG 3.06Å; V63-Q67 PolarHBondContact O-N 3.36Å; V63-F111 HydrophobicContact CG2-CE1 3.75Å; V63-F111 HydrophobicContact CG2-CZ 3.93Å; V63-I129 HydrophobicContact CB-CD1 4.35Å; V63-I129 HydrophobicContact CG1-CD1 3.87Å; V63-I129 HydrophobicContact CG2-CD1 4.3Å; V63-I129 HydrophobicContact CG2-CG1 4.28Å; V63-F137 HydrophobicContact CB-CD1 4.41Å; V63-F137 HydrophobicContact CB-CG 4.42Å; V63-F137 HydrophobicContact CG1-CB 3.7Å; V63-F137 HydrophobicContact CG1-CD1 4.09Å; V63-F137 HydrophobicContact CG1-CD2 4.18Å; V63-F137 HydrophobicContact CG1-CG 3.72Å; V63-F137 HydrophobicContact CG2-CD1 4.04Å; V63-F137 HydrophobicContact CG2-CD2 3.99Å; V63-F137 HydrophobicContact CG2-CE1 3.98Å; V63-F137 HydrophobicContact CG2-CE2 3.93Å; V63-F137 HydrophobicContact CG2-CG 4.04Å; V63-F137 HydrophobicContact CG2-CZ 3.93Å; V63-F142 HydrophobicContact CG1-CE1 3.97Å |
| 64 | M | 96.4 | Very high | 95.8 | Very high | 33 Ų | 33 | 43.7 Ų | 43.7 | 16% | 0.163 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.4 | -35.2 | 176.7 | -75.1 | -175.1 | -70.1 | 0 | 0 | 112.4 | Y56 A60 L61 I62 S68 F82 F87 F142 | Y56-M64 HydrophobicContact CD1-CE 4.1Å; Y56-M64 HydrophobicContact CD2-CE 3.86Å; Y56-M64 HydrophobicContact CE1-CE 4.4Å; Y56-M64 HydrophobicContact CE2-CE 4.18Å; Y56-M64 HydrophobicContact CG-CE 3.83Å; A60-M64 WeakPolarHBondContact O-CB 3.38Å; A60-M64 WeakPolarHBondContact O-CE 3.5Å; A60-M64 WeakPolarHBondContact O-CG 3.39Å; A60-M64 PolarHBondContact O-N 2.83Å; L61-M64 HydrophobicContact CD2-CE 3.97Å; I62-M64 PolarHBondContact O-N 3.22Å; M64-S68 WeakPolarHBondContact O-CB 3.31Å; M64-S68 PolarHBondContact O-N 2.71Å; M64-S68 PolarHBondContact O-OG 3.2Å; M64-F82 HydrophobicContact CB-CE1 4.31Å; M64-F82 HydrophobicContact CB-CZ 4.46Å; M64-F87 HydrophobicContact CE-CZ 4.03Å; M64-F142 HydrophobicContact CG-CD1 3.86Å; M64-F142 HydrophobicContact CG-CE1 3.83Å; M64-F142 HydrophobicContact CG-CG 4.35Å; M64-F142 HydrophobicContact CG-CZ 4.29Å; M64-F142 HydrophobicContact SD-CD1 4.42Å; M64-F142 HydrophobicContact SD-CG 4.37Å |
| 65 | A | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.1 | -52.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L61 I62 V63 S68 S69 L74 F82 | L61-A65 PolarHBondContact O-N 3.04Å; I62-A65 WeakPolarHBondContact O-CB 3.4Å; I62-A65 PolarHBondContact O-N 3Å; I62-A65 VanDerWaalsContact O-N 3.13Å; V63-A65 PolarHBondContact O-N 2.9Å; A65-S68 PolarHBondContact O-N 3.01Å; A65-S68 PolarHBondContact O-OG 3.07Å; A65-S69 PolarHBondContact O-N 3.1Å; A65-L74 HydrophobicContact CB-CD1 3.88Å; A65-L74 WeakPolarHBondContact O-CD1 3.4Å; A65-F82 VanDerWaalsContact CA-CD1 3.5Å; A65-F82 HydrophobicContact CB-CB 4.03Å; A65-F82 HydrophobicContact CB-CD1 3.32Å; A65-F82 HydrophobicContact CB-CD2 4.46Å; A65-F82 HydrophobicContact CB-CE1 3.84Å; A65-F82 HydrophobicContact CB-CG 3.68Å |
| 66 | I | 97.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | -177.3 | -66.1 | 174.1 | 0 | 0 | 0 | 111.2 | I62 V63 S68 S69 K72 F111 W127 I129 | I62-I66 HydrophobicContact CG2-CD1 3.75Å; I62-I66 HydrophobicContact CG2-CG1 4.36Å; I62-I66 WeakPolarHBondContact O-CG1 3.41Å; I62-I66 PolarHBondContact O-N 3.34Å; V63-I66 PolarHBondContact O-N 3.16Å; V63-I66 VanDerWaalsContact O-N 3.15Å; I66-S68 PolarHBondContact O-N 2.82Å; I66-S69 PolarHBondContact O-N 3.31Å; I66-S69 VanDerWaalsContact O-N 3.11Å; I66-S69 PolarHBondContact O-OG 2.81Å; I66-K72 WeakPolarHBondContact CG2-O 3.48Å; I66-F111 HydrophobicContact CD1-CD1 4.06Å; I66-F111 HydrophobicContact CD1-CE1 4.25Å; I66-W127 HydrophobicContact CD1-CB 4.49Å; I66-I129 HydrophobicContact CB-CD1 4.17Å; I66-I129 HydrophobicContact CB-CG1 4.29Å; I66-I129 HydrophobicContact CD1-CG1 4.33Å; I66-I129 HydrophobicContact CG2-CD1 3.95Å; I66-I129 HydrophobicContact CG2-CG1 3.97Å |
| 67 | Q | 95.4 | Very high | 96.6 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 20% | 0.201 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -29.3 | 178.3 | -75 | -179.8 | -31.7 | 0 | 0 | 113.3 | V63 S69 K72 I129 | V63-Q67 HydrophobicContact CG1-CG 4.03Å; V63-Q67 WeakPolarHBondContact O-CB 3.38Å; V63-Q67 WeakPolarHBondContact O-CG 3.06Å; V63-Q67 PolarHBondContact O-N 3.36Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; Q67-K72 PolarHBondContact O-NZ 3.47Å; Q67-I129 HydrophobicContact CG-CD1 3.69Å |
| 68 | S | 95.7 | Very high | 96.7 | Very high | 69 Ų | 69 | 42.3 Ų | 42.3 | 48% | 0.483 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -75.8 | -17.6 | 177.2 | 77.4 | 0 | 0 | 0 | 0 | 114.1 | M64 A65 I66 F82 | M64-S68 WeakPolarHBondContact O-CB 3.31Å; M64-S68 PolarHBondContact O-N 2.71Å; M64-S68 PolarHBondContact O-OG 3.2Å; A65-S68 PolarHBondContact O-N 3.01Å; A65-S68 PolarHBondContact O-OG 3.07Å; I66-S68 PolarHBondContact O-N 2.82Å; S68-F82 WeakPolarHBondContact OG-CD2 3.35Å; S68-F82 WeakPolarHBondContact OG-CE2 3.42Å |
| 69 | S | 96.2 | Very high | 96.7 | Very high | 11 Ų | 11 | 40 Ų | 40 | 8% | 0.077 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -80.2 | 137 | 176.1 | 81.3 | 0 | 0 | 0 | 0 | 110.6 | A65 I66 Q67 T71 K72 R73 | A65-S69 PolarHBondContact O-N 3.1Å; I66-S69 PolarHBondContact O-N 3.31Å; I66-S69 VanDerWaalsContact O-N 3.11Å; I66-S69 PolarHBondContact O-OG 2.81Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; S69-T71 PolarHBondContact O-N 3.4Å; S69-K72 PolarHBondContact O-N 3.35Å; S69-K72 VanDerWaalsContact O-N 3.09Å; S69-K72 WeakPolarHBondContact OG-CA 3.3Å; S69-K72 PolarHBondContact OG-N 3.01Å; S69-R73 PolarHBondContact OG-N 2.89Å; S69-R73 VanDerWaalsContact OG-N 3.14Å; S69-R73 PolarHBondContact OG-O 3.04Å |
| 70 | P | 96.1 | Very high | 96.8 | Very high | 133 Ų | 133 | 39.8 Ų | 39.8 | 86% | 0.864 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.2 | 179.6 | 27.9 | -35.3 | 0 | 0 | 0 | 112.9 | ||
| 71 | T | 95.7 | Very high | 96.9 | Very high | 85 Ų | 85 | 44.9 Ų | 44.9 | 52% | 0.521 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 3.9 | 176.7 | 66.3 | 0 | 0 | 0 | 0 | 113.5 | S69 R73 | S69-T71 PolarHBondContact O-N 3.4Å; T71-R73 PolarHBondContact O-N 2.83Å; T71-R73 WeakPolarHBondContact OG1-CG 3.27Å; T71-R73 PolarHBondContact OG1-O 3.44Å |
| 72 | K | 96.7 | Very high | 97 | Very high | 100 Ų | 100 | 46.7 Ų | 46.7 | 44% | 0.435 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 49.4 | 25.8 | -175.9 | -60.5 | -65.6 | -175.7 | 177 | 0 | 114.7 | I66 Q67 S69 T128 | I66-K72 WeakPolarHBondContact CG2-O 3.48Å; Q67-K72 PolarHBondContact O-NZ 3.47Å; S69-K72 PolarHBondContact O-N 3.35Å; S69-K72 VanDerWaalsContact O-N 3.09Å; S69-K72 WeakPolarHBondContact OG-CA 3.3Å; S69-K72 PolarHBondContact OG-N 3.01Å; K72-T128 PolarHBondContact O-OG1 2.84Å; K72-T128 VanDerWaalsContact O-OG1 3.04Å |
| 73 | R | 96.4 | Very high | 97 | Very high | 105 Ų | 105 | 46.7 Ų | 46.7 | 40% | 0.396 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 147.3 | 176.5 | 66.7 | -171 | 174.5 | -169.1 | -4.9 | 110.4 | S69 T71 Y126 W127 | S69-R73 PolarHBondContact OG-N 2.89Å; S69-R73 VanDerWaalsContact OG-N 3.14Å; S69-R73 PolarHBondContact OG-O 3.04Å; T71-R73 PolarHBondContact O-N 2.83Å; T71-R73 WeakPolarHBondContact OG1-CG 3.27Å; T71-R73 PolarHBondContact OG1-O 3.44Å; R73-Y126 HydrophobicContact CG-CD1 4.26Å; R73-Y126 HydrophobicContact CG-CG 4.4Å; R73-W127 CarbonylContact C-O 3.56Å; R73-W127 VanDerWaalsContact CA-O 3.23Å; R73-W127 WeakPolarHBondContact CA-O 3.35Å |
| 74 | L | 97.3 | Very high | 97 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 151 | 177.2 | -71.4 | -178 | 0 | 0 | 0 | 111.2 | A65 E78 I79 W127 | A65-L74 HydrophobicContact CB-CD1 3.88Å; A65-L74 WeakPolarHBondContact O-CD1 3.4Å; L74-E78 HydrophobicContact CB-CB 4.24Å; L74-E78 HydrophobicContact CD1-CB 4.44Å; L74-E78 HydrophobicContact CD2-CB 3.83Å; L74-E78 HydrophobicContact CD2-CG 4.5Å; L74-E78 HydrophobicContact CG-CB 4.41Å; L74-I79 HydrophobicContact CB-CD1 4.35Å; L74-I79 HydrophobicContact CB-CG1 3.81Å; L74-I79 HydrophobicContact CD1-CG1 4.07Å; L74-W127 PolarHBondContact N-O 2.74Å; L74-W127 PolarHBondContact O-N 2.97Å |
| 75 | T | 97.3 | Very high | 97 | Very high | 14 Ų | 14 | 51.2 Ų | 51.2 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 162.4 | 164 | 71.3 | 0 | 0 | 0 | 0 | 111.1 | S77 E78 I79 H125 Y126 | T75-S77 PolarHBondContact O-N 3.27Å; T75-S77 VanDerWaalsContact O-N 3.12Å; T75-S77 PolarHBondContact OG1-N 3.2Å; T75-E78 WeakPolarHBondContact CA-OE2 3.28Å; T75-E78 WeakPolarHBondContact CB-OE2 3.41Å; T75-E78 VanDerWaalsContact CG2-OE2 3.28Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.16Å; T75-E78 PolarHBondContact N-OE2 2.74Å; T75-E78 PolarHBondContact O-N 3.11Å; T75-E78 VanDerWaalsContact O-N 3.12Å; T75-E78 PolarHBondContact OG1-N 3.05Å; T75-E78 PolarHBondContact OG1-OE2 2.58Å; T75-I79 WeakPolarHBondContact O-CG1 3.48Å; T75-I79 PolarHBondContact O-N 3.39Å; T75-H125 WeakPolarHBondContact CA-O 3.43Å; T75-Y126 HydrophobicContact CG2-CD1 3.68Å; T75-Y126 HydrophobicContact CG2-CE1 3.69Å |
| 76 | L | 97.4 | Very high | 96.9 | Very high | 46 Ų | 46 | 59.7 Ų | 59.7 | 24% | 0.241 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -53.2 | -31.4 | 173 | -178.9 | 63.8 | 0 | 0 | 0 | 113.4 | Y80 V101 R102 L105 | L76-Y80 HydrophobicContact CD1-CD1 4.37Å; L76-Y80 HydrophobicContact CD1-CE1 3.61Å; L76-Y80 HydrophobicContact CD1-CE2 4.38Å; L76-Y80 HydrophobicContact CD2-CE2 4.44Å; L76-Y80 HydrophobicContact CG-CE1 4.1Å; L76-Y80 HydrophobicContact CG-CE2 3.95Å; L76-Y80 WeakPolarHBondContact O-CD2 3.45Å; L76-Y80 VanDerWaalsContact O-CG 3.26Å; L76-Y80 PolarHBondContact O-N 3.41Å; L76-V101 HydrophobicContact CD1-CG1 4.08Å; L76-R102 HydrophobicContact CD1-CG 3.93Å; L76-R102 HydrophobicContact CD2-CG 3.81Å; L76-L105 HydrophobicContact CD1-CD1 3.7Å |
| 77 | S | 97.2 | Very high | 96.8 | Very high | 64 Ų | 64 | 61.1 Ų | 61.1 | 45% | 0.448 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -70.7 | -44.5 | 178.6 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | T75 Y80 Q81 | T75-S77 PolarHBondContact O-N 3.27Å; T75-S77 VanDerWaalsContact O-N 3.12Å; T75-S77 PolarHBondContact OG1-N 3.2Å; S77-Y80 WeakPolarHBondContact O-CB 3.45Å; S77-Y80 PolarHBondContact O-N 3.37Å; S77-Q81 WeakPolarHBondContact O-CG 3.44Å; S77-Q81 PolarHBondContact O-N 3.39Å; S77-Q81 PolarHBondContact O-NE2 3.13Å; S77-Q81 PolarHBondContact OG-NE2 3.49Å; S77-Q81 VanDerWaalsContact OG-NE2 3.16Å |
| 78 | E | 97.4 | Very high | 96.7 | Very high | 75 Ų | 75 | 62.3 Ų | 62.3 | 35% | 0.35 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.8 | -35.7 | 180 | -66.1 | 149.9 | 124.1 | 0 | 0 | 111.2 | L74 T75 Y80 Q81 F82 | L74-E78 HydrophobicContact CB-CB 4.24Å; L74-E78 HydrophobicContact CD1-CB 4.44Å; L74-E78 HydrophobicContact CD2-CB 3.83Å; L74-E78 HydrophobicContact CD2-CG 4.5Å; L74-E78 HydrophobicContact CG-CB 4.41Å; T75-E78 WeakPolarHBondContact CA-OE2 3.28Å; T75-E78 WeakPolarHBondContact CB-OE2 3.41Å; T75-E78 VanDerWaalsContact CG2-OE2 3.28Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.16Å; T75-E78 PolarHBondContact N-OE2 2.74Å; T75-E78 PolarHBondContact O-N 3.11Å; T75-E78 VanDerWaalsContact O-N 3.12Å; T75-E78 PolarHBondContact OG1-N 3.05Å; T75-E78 PolarHBondContact OG1-OE2 2.58Å; E78-Y80 VanDerWaalsContact C-N 3.34Å; E78-Y80 PolarHBondContact O-N 3.45Å; E78-Q81 PolarHBondContact O-N 2.92Å; E78-Q81 VanDerWaalsContact O-N 3.12Å; E78-F82 WeakPolarHBondContact O-CB 3.47Å; E78-F82 PolarHBondContact O-N 2.88Å |
| 79 | I | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 171.1 | -65 | 165.8 | 0 | 0 | 0 | 110.5 | I62 L74 T75 Q81 L83 V101 L105 | I62-I79 HydrophobicContact CG1-CG2 4.27Å; I62-I79 HydrophobicContact CG2-CD1 4.33Å; L74-I79 HydrophobicContact CB-CD1 4.35Å; L74-I79 HydrophobicContact CB-CG1 3.81Å; L74-I79 HydrophobicContact CD1-CG1 4.07Å; T75-I79 WeakPolarHBondContact O-CG1 3.48Å; T75-I79 PolarHBondContact O-N 3.39Å; I79-Q81 VanDerWaalsContact C-N 3.32Å; I79-Q81 PolarHBondContact O-N 3.31Å; I79-L83 HydrophobicContact CG2-CD1 4.23Å; I79-L83 VanDerWaalsContact O-CG 3.3Å; I79-L83 WeakPolarHBondContact O-CG 3.4Å; I79-L83 PolarHBondContact O-N 2.94Å; I79-L83 VanDerWaalsContact O-N 3.11Å; I79-V101 HydrophobicContact CG2-CG1 3.94Å; I79-L105 HydrophobicContact CD1-CD1 4.2Å; I79-L105 HydrophobicContact CD1-CD2 4.25Å |
| 80 | Y | 97.9 | Very high | 96.6 | Very high | 33 Ų | 33 | 61.4 Ų | 61.4 | 13% | 0.129 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 174.5 | -62.2 | -25.7 | 0 | 0 | 0 | 112.1 | L76 S77 E78 Q84 W97 K98 V101 R102 | L76-Y80 HydrophobicContact CD1-CD1 4.37Å; L76-Y80 HydrophobicContact CD1-CE1 3.61Å; L76-Y80 HydrophobicContact CD1-CE2 4.38Å; L76-Y80 HydrophobicContact CD2-CE2 4.44Å; L76-Y80 HydrophobicContact CG-CE1 4.1Å; L76-Y80 HydrophobicContact CG-CE2 3.95Å; L76-Y80 WeakPolarHBondContact O-CD2 3.45Å; L76-Y80 VanDerWaalsContact O-CG 3.26Å; L76-Y80 PolarHBondContact O-N 3.41Å; S77-Y80 WeakPolarHBondContact O-CB 3.45Å; S77-Y80 PolarHBondContact O-N 3.37Å; E78-Y80 VanDerWaalsContact C-N 3.34Å; E78-Y80 PolarHBondContact O-N 3.45Å; Y80-Q84 WeakPolarHBondContact O-CG 3.29Å; Y80-Q84 PolarHBondContact O-N 2.94Å; Y80-Q84 VanDerWaalsContact O-N 3.14Å; Y80-Q84 PolarHBondContact O-NE2 2.8Å; Y80-W97 HydrophobicContact CD1-CH2 4.23Å; Y80-W97 AromaticContact CD1-CZ3 3.76Å; Y80-W97 HydrophobicContact CD1-CZ3 3.76Å; Y80-W97 HydrophobicContact CG-CH2 4.37Å; Y80-W97 HydrophobicContact CG-CZ3 4.34Å; Y80-K98 HydrophobicContact CD1-CB 4.43Å; Y80-K98 HydrophobicContact CD1-CD 4.4Å; Y80-K98 HydrophobicContact CD1-CG 3.88Å; Y80-K98 HydrophobicContact CD2-CD 4.06Å; Y80-K98 HydrophobicContact CD2-CG 4.41Å; Y80-K98 HydrophobicContact CE1-CB 3.72Å; Y80-K98 HydrophobicContact CE1-CD 4.31Å; Y80-K98 HydrophobicContact CE1-CG 3.68Å; Y80-K98 HydrophobicContact CE2-CB 4.48Å; Y80-K98 HydrophobicContact CE2-CD 3.97Å; Y80-K98 HydrophobicContact CE2-CG 4.25Å; Y80-K98 HydrophobicContact CG-CD 4.28Å; Y80-K98 HydrophobicContact CG-CG 4.24Å; Y80-V101 HydrophobicContact CD1-CG1 4.33Å; Y80-V101 HydrophobicContact CE1-CB 4.18Å; Y80-V101 HydrophobicContact CE1-CG1 4Å; Y80-R102 WeakPolarHBondContact OH-CG 3.45Å; Y80-R102 PolarHBondContact OH-NH1 3.29Å; Y80-R102 VanDerWaalsContact OH-NH1 3.11Å |
| 81 | Q | 97.9 | Very high | 96.5 | Very high | 109 Ų | 109 | 62.2 Ų | 62.2 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.6 | -45.3 | -179.6 | -70.3 | 168.9 | 57.7 | 0 | 0 | 111.7 | S77 E78 I79 L83 Q84 S85 | S77-Q81 WeakPolarHBondContact O-CG 3.44Å; S77-Q81 PolarHBondContact O-N 3.39Å; S77-Q81 PolarHBondContact O-NE2 3.13Å; S77-Q81 PolarHBondContact OG-NE2 3.49Å; S77-Q81 VanDerWaalsContact OG-NE2 3.16Å; E78-Q81 PolarHBondContact O-N 2.92Å; E78-Q81 VanDerWaalsContact O-N 3.12Å; I79-Q81 VanDerWaalsContact C-N 3.32Å; I79-Q81 PolarHBondContact O-N 3.31Å; Q81-L83 PolarHBondContact O-N 2.95Å; Q81-Q84 PolarHBondContact O-N 3.48Å; Q81-S85 PolarHBondContact O-N 2.84Å; Q81-S85 PolarHBondContact O-OG 3.36Å |
| 82 | F | 98 | Very high | 96.3 | Very high | 43 Ų | 43 | 60.1 Ų | 60.1 | 19% | 0.189 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 175.2 | 176.9 | -88.7 | 0 | 0 | 0 | 112.3 | M64 A65 S68 E78 Q84 S85 R86 | M64-F82 HydrophobicContact CB-CE1 4.31Å; M64-F82 HydrophobicContact CB-CZ 4.46Å; A65-F82 VanDerWaalsContact CA-CD1 3.5Å; A65-F82 HydrophobicContact CB-CB 4.03Å; A65-F82 HydrophobicContact CB-CD1 3.32Å; A65-F82 HydrophobicContact CB-CD2 4.46Å; A65-F82 HydrophobicContact CB-CE1 3.84Å; A65-F82 HydrophobicContact CB-CG 3.68Å; S68-F82 WeakPolarHBondContact OG-CD2 3.35Å; S68-F82 WeakPolarHBondContact OG-CE2 3.42Å; E78-F82 WeakPolarHBondContact O-CB 3.47Å; E78-F82 PolarHBondContact O-N 2.88Å; F82-Q84 VanDerWaalsContact C-N 3.35Å; F82-Q84 PolarHBondContact O-N 3.16Å; F82-S85 PolarHBondContact O-N 3.39Å; F82-S85 PolarHBondContact O-OG 3.07Å; F82-S85 VanDerWaalsContact O-OG 3.04Å; F82-R86 HydrophobicContact CE1-CB 4.3Å; F82-R86 HydrophobicContact CZ-CB 4.37Å; F82-R86 HydrophobicContact CZ-CG 4.36Å; F82-R86 VanDerWaalsContact O-CB 3.3Å; F82-R86 WeakPolarHBondContact O-CB 3.34Å; F82-R86 PolarHBondContact O-N 3.16Å |
| 83 | L | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 179.1 | -67.8 | 178.8 | 0 | 0 | 0 | 111.8 | L61 I79 Q81 F87 F90 W97 V101 | L61-L83 HydrophobicContact CB-CD2 3.8Å; L61-L83 HydrophobicContact CD2-CD2 4.03Å; L61-L83 HydrophobicContact CG-CD2 4.43Å; I79-L83 HydrophobicContact CG2-CD1 4.23Å; I79-L83 VanDerWaalsContact O-CG 3.3Å; I79-L83 WeakPolarHBondContact O-CG 3.4Å; I79-L83 PolarHBondContact O-N 2.94Å; I79-L83 VanDerWaalsContact O-N 3.11Å; Q81-L83 PolarHBondContact O-N 2.95Å; L83-F87 HydrophobicContact CD2-CD2 4.2Å; L83-F87 HydrophobicContact CD2-CE2 4.19Å; L83-F87 PolarHBondContact O-N 3.05Å; L83-F90 HydrophobicContact CB-CB 4.49Å; L83-F90 HydrophobicContact CB-CD2 3.74Å; L83-F90 HydrophobicContact CB-CE2 4.22Å; L83-F90 HydrophobicContact CB-CG 4.17Å; L83-F90 HydrophobicContact CD2-CE2 4.29Å; L83-F90 WeakPolarHBondContact O-CD2 3.42Å; L83-W97 HydrophobicContact CB-CZ3 4.47Å; L83-W97 HydrophobicContact CD1-CZ3 4.27Å; L83-V101 HydrophobicContact CD1-CG2 3.93Å |
| 84 | Q | 96.9 | Very high | 96 | Very high | 55 Ų | 55 | 64 Ų | 64 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 174.6 | -74.4 | 166.9 | 107.7 | 0 | 0 | 112.4 | Y80 Q81 F82 F90 R91 W97 | Y80-Q84 WeakPolarHBondContact O-CG 3.29Å; Y80-Q84 PolarHBondContact O-N 2.94Å; Y80-Q84 VanDerWaalsContact O-N 3.14Å; Y80-Q84 PolarHBondContact O-NE2 2.8Å; Q81-Q84 PolarHBondContact O-N 3.48Å; F82-Q84 VanDerWaalsContact C-N 3.35Å; F82-Q84 PolarHBondContact O-N 3.16Å; Q84-F90 HydrophobicContact CG-CB 4.09Å; Q84-F90 WeakPolarHBondContact CG-O 3.44Å; Q84-R91 HydrophobicContact CB-CG 4.38Å; Q84-R91 VanDerWaalsContact O-CG 3.29Å; Q84-R91 WeakPolarHBondContact O-CG 3.38Å; Q84-R91 PolarHBondContact O-NE 3.07Å; Q84-W97 HydrophobicContact CG-CH2 3.99Å; Q84-W97 HydrophobicContact CG-CZ2 3.98Å |
| 85 | S | 96.9 | Very high | 95.9 | Very high | 73 Ų | 73 | 66.9 Ų | 66.9 | 51% | 0.51 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.1 | -47.4 | 178.5 | 68.5 | 0 | 0 | 0 | 0 | 111.2 | Q81 F82 R91 | Q81-S85 PolarHBondContact O-N 2.84Å; Q81-S85 PolarHBondContact O-OG 3.36Å; F82-S85 PolarHBondContact O-N 3.39Å; F82-S85 PolarHBondContact O-OG 3.07Å; F82-S85 VanDerWaalsContact O-OG 3.04Å; S85-R91 PolarHBondContact O-NH2 2.97Å |
| 86 | R | 95.4 | Very high | 95.8 | Very high | 178 Ų | 178 | 67.5 Ų | 67.5 | 67% | 0.672 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -77.5 | -33.8 | -174.4 | -166.8 | 61.1 | 171.4 | -177 | -0.7 | 114.6 | F82 | F82-R86 HydrophobicContact CE1-CB 4.3Å; F82-R86 HydrophobicContact CZ-CB 4.37Å; F82-R86 HydrophobicContact CZ-CG 4.36Å; F82-R86 VanDerWaalsContact O-CB 3.3Å; F82-R86 WeakPolarHBondContact O-CB 3.34Å; F82-R86 PolarHBondContact O-N 3.16Å |
| 87 | F | 94.9 | Very high | 95.8 | Very high | 31 Ų | 31 | 65.4 Ų | 65.4 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | trans | -128.6 | 115.2 | -175.8 | -50.9 | -80.7 | 0 | 0 | 0 | 112.2 | P54 Y56 L61 M64 L83 F89 F90 | P54-F87 HydrophobicContact CB-CD1 3.95Å; P54-F87 HydrophobicContact CB-CE1 4.13Å; P54-F87 HydrophobicContact CB-CG 4.46Å; P54-F87 HydrophobicContact CG-CB 3.8Å; P54-F87 HydrophobicContact CG-CD1 3.53Å; P54-F87 HydrophobicContact CG-CE1 4.21Å; P54-F87 HydrophobicContact CG-CG 3.7Å; Y56-F87 HydrophobicContact CD2-CE1 4.31Å; Y56-F87 HydrophobicContact CD2-CZ 4.32Å; Y56-F87 HydrophobicContact CE2-CE1 4.07Å; Y56-F87 HydrophobicContact CE2-CZ 4.29Å; L61-F87 HydrophobicContact CD2-CD2 4Å; L61-F87 HydrophobicContact CD2-CE2 3.47Å; L61-F87 VanDerWaalsContact CD2-CE2 3.47Å; L61-F87 HydrophobicContact CD2-CZ 3.84Å; M64-F87 HydrophobicContact CE-CZ 4.03Å; L83-F87 HydrophobicContact CD2-CD2 4.2Å; L83-F87 HydrophobicContact CD2-CE2 4.19Å; L83-F87 PolarHBondContact O-N 3.05Å; F87-F89 PolarHBondContact O-N 3.14Å; F87-F90 HydrophobicContact CB-CD2 3.85Å; F87-F90 HydrophobicContact CB-CE2 4.05Å; F87-F90 HydrophobicContact CD2-CD2 4.32Å; F87-F90 HydrophobicContact CD2-CE2 4.08Å; F87-F90 HydrophobicContact CG-CE2 4.34Å; F87-F90 PolarHBondContact O-N 3Å; F87-F90 VanDerWaalsContact O-N 3.16Å | ||
| 88 | P | 94.5 | Very high | 95.8 | Very high | 67 Ų | 67 | 64.5 Ų | 64.5 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -54.8 | -26.5 | 179.7 | -29.8 | 37 | 0 | 0 | 0 | 115.4 | P51 F90 R91 | P51-P88 HydrophobicContact CB-CB 3.85Å; P51-P88 HydrophobicContact CG-CB 4.33Å; P88-F90 PolarHBondContact O-N 2.98Å; P88-R91 WeakPolarHBondContact O-CB 3.47Å; P88-R91 PolarHBondContact O-N 3.13Å; P88-R91 VanDerWaalsContact O-N 3.1Å |
| 89 | F | 94 | Very high | 95.8 | Very high | 60 Ų | 60 | 65.5 Ų | 65.5 | 26% | 0.263 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -51.4 | -36 | 175.7 | 177.1 | -102.9 | 0 | 0 | 0 | 114.1 | P51 K53 F87 | P51-F89 WeakPolarHBondContact O-CD2 3.09Å; K53-F89 HydrophobicContact CB-CD2 4.07Å; K53-F89 HydrophobicContact CB-CE1 4.48Å; K53-F89 HydrophobicContact CB-CE2 3.83Å; K53-F89 HydrophobicContact CB-CG 4.5Å; K53-F89 HydrophobicContact CB-CZ 4.06Å; K53-F89 HydrophobicContact CD-CE1 4.5Å; K53-F89 HydrophobicContact CD-CZ 4.14Å; K53-F89 HydrophobicContact CG-CD1 4.4Å; K53-F89 HydrophobicContact CG-CE1 4Å; K53-F89 HydrophobicContact CG-CE2 4.2Å; K53-F89 HydrophobicContact CG-CZ 3.9Å; F87-F89 PolarHBondContact O-N 3.14Å |
| 90 | F | 95.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.009 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -86.6 | -5.9 | -176.9 | -60 | -64.6 | 0 | 0 | 0 | 114.1 | P54 Y58 L61 L83 Q84 F87 P88 W97 | P54-F90 HydrophobicContact CG-CE2 4.34Å; Y58-F90 HydrophobicContact CE1-CE1 4.32Å; L61-F90 HydrophobicContact CD1-CE2 4.22Å; L61-F90 HydrophobicContact CD1-CZ 3.75Å; L61-F90 HydrophobicContact CD2-CE2 4.35Å; L83-F90 HydrophobicContact CB-CB 4.49Å; L83-F90 HydrophobicContact CB-CD2 3.74Å; L83-F90 HydrophobicContact CB-CE2 4.22Å; L83-F90 HydrophobicContact CB-CG 4.17Å; L83-F90 HydrophobicContact CD2-CE2 4.29Å; L83-F90 WeakPolarHBondContact O-CD2 3.42Å; Q84-F90 HydrophobicContact CG-CB 4.09Å; Q84-F90 WeakPolarHBondContact CG-O 3.44Å; F87-F90 HydrophobicContact CB-CD2 3.85Å; F87-F90 HydrophobicContact CB-CE2 4.05Å; F87-F90 HydrophobicContact CD2-CD2 4.32Å; F87-F90 HydrophobicContact CD2-CE2 4.08Å; F87-F90 HydrophobicContact CG-CE2 4.34Å; F87-F90 PolarHBondContact O-N 3Å; F87-F90 VanDerWaalsContact O-N 3.16Å; P88-F90 PolarHBondContact O-N 2.98Å; F90-W97 HydrophobicContact CB-CD2 4.33Å; F90-W97 HydrophobicContact CB-CH2 4.16Å; F90-W97 HydrophobicContact CB-CZ2 3.85Å; F90-W97 HydrophobicContact CD1-CB 4Å; F90-W97 AromaticContact CD1-CD2 3.48Å; F90-W97 HydrophobicContact CD1-CD2 3.48Å; F90-W97 VanDerWaalsContact CD1-CD2 3.48Å; F90-W97 AromaticContact CD1-CE2 3.92Å; F90-W97 AromaticContact CD1-CE3 3.76Å; F90-W97 HydrophobicContact CD1-CE3 3.76Å; F90-W97 AromaticContact CD1-CG 3.59Å; F90-W97 HydrophobicContact CD1-CG 3.59Å; F90-W97 HydrophobicContact CD1-CZ3 4.39Å; F90-W97 HydrophobicContact CE1-CB 3.99Å; F90-W97 HydrophobicContact CE1-CD2 4.22Å; F90-W97 HydrophobicContact CE1-CE3 4.31Å; F90-W97 HydrophobicContact CE1-CG 4.11Å; F90-W97 HydrophobicContact CG-CD2 4.26Å; F90-W97 HydrophobicContact CG-CE3 4.38Å; F90-W97 VanDerWaalsContact O-CZ2 3.3Å; F90-W97 WeakPolarHBondContact O-CZ2 3.3Å |
| 91 | R | 94.4 | Very high | 95.8 | Very high | 150 Ų | 150 | 65.6 Ų | 65.6 | 57% | 0.566 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -81 | -10.7 | -177.6 | -57.1 | -179.3 | -172.4 | 174.8 | 0.4 | 114.3 | Q84 S85 P88 | Q84-R91 HydrophobicContact CB-CG 4.38Å; Q84-R91 VanDerWaalsContact O-CG 3.29Å; Q84-R91 WeakPolarHBondContact O-CG 3.38Å; Q84-R91 PolarHBondContact O-NE 3.07Å; S85-R91 PolarHBondContact O-NH2 2.97Å; P88-R91 WeakPolarHBondContact O-CB 3.47Å; P88-R91 PolarHBondContact O-N 3.13Å; P88-R91 VanDerWaalsContact O-N 3.1Å |
| 92 | G | 90.9 | Very high | 95.9 | Very high | 40 Ų | 40 | 65.5 Ų | 65.5 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -72.3 | 169 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y94 Q95 | G92-Y94 PolarHBondContact O-N 3.45Å; G92-Q95 PolarHBondContact O-NE2 3.39Å |
| 93 | S | 92.3 | Very high | 95.9 | Very high | 122 Ų | 122 | 68.3 Ų | 68.3 | 85% | 0.853 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -59.7 | -31.5 | 177.2 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | Q95 | S93-Q95 WeakPolarHBondContact O-CG 3.46Å; S93-Q95 PolarHBondContact O-N 2.92Å; S93-Q95 PolarHBondContact O-NE2 2.88Å |
| 94 | Y | 93.6 | Very high | 95.9 | Very high | 165 Ų | 165 | 69.5 Ų | 69.5 | 65% | 0.647 | 35% | 0.351 | S | S | * | . | trans | -64.7 | 113.7 | 177.1 | 177 | -102.9 | 0 | 0 | 0 | 112.5 | G92 W97 | G92-Y94 PolarHBondContact O-N 3.45Å; Y94-W97 PolarHBondContact O-NE1 3.16Å | ||
| 95 | Q | 95.3 | Very high | 95.9 | Very high | 78 Ų | 78 | 67 Ų | 67 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | trans | -99.4 | 0.1 | -177.7 | -59.1 | -51.6 | -57.2 | 0 | 0 | 114.9 | G92 S93 W97 K98 | G92-Q95 PolarHBondContact O-NE2 3.39Å; S93-Q95 WeakPolarHBondContact O-CG 3.46Å; S93-Q95 PolarHBondContact O-N 2.92Å; S93-Q95 PolarHBondContact O-NE2 2.88Å; Q95-W97 PolarHBondContact O-N 2.78Å; Q95-W97 VanDerWaalsContact O-N 3.09Å; Q95-K98 HydrophobicContact CB-CD 4.5Å; Q95-K98 VanDerWaalsContact O-CB 3.31Å; Q95-K98 WeakPolarHBondContact O-CB 3.1Å; Q95-K98 PolarHBondContact O-N 3.03Å | ||
| 96 | G | 96.3 | Very high | 96 | Very high | 27 Ų | 27 | 68 Ų | 68 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -27.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K98 N99 S100 | G96-K98 PolarHBondContact O-N 3.1Å; G96-N99 WeakPolarHBondContact O-CB 3.47Å; G96-N99 PolarHBondContact O-N 3.31Å; G96-S100 PolarHBondContact O-N 2.81Å |
| 97 | W | 96.8 | Very high | 96 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.008 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.8 | -30.4 | 172.3 | 62.8 | -95.8 | 0 | 0 | 0 | 113.4 | Y58 Y80 L83 Q84 F90 Y94 Q95 N99 S100 V101 | Y58-W97 HydrophobicContact CE1-CB 4.42Å; Y80-W97 HydrophobicContact CD1-CH2 4.23Å; Y80-W97 AromaticContact CD1-CZ3 3.76Å; Y80-W97 HydrophobicContact CD1-CZ3 3.76Å; Y80-W97 HydrophobicContact CG-CH2 4.37Å; Y80-W97 HydrophobicContact CG-CZ3 4.34Å; L83-W97 HydrophobicContact CB-CZ3 4.47Å; L83-W97 HydrophobicContact CD1-CZ3 4.27Å; Q84-W97 HydrophobicContact CG-CH2 3.99Å; Q84-W97 HydrophobicContact CG-CZ2 3.98Å; F90-W97 HydrophobicContact CB-CD2 4.33Å; F90-W97 HydrophobicContact CB-CH2 4.16Å; F90-W97 HydrophobicContact CB-CZ2 3.85Å; F90-W97 HydrophobicContact CD1-CB 4Å; F90-W97 AromaticContact CD1-CD2 3.48Å; F90-W97 HydrophobicContact CD1-CD2 3.48Å; F90-W97 VanDerWaalsContact CD1-CD2 3.48Å; F90-W97 AromaticContact CD1-CE2 3.92Å; F90-W97 AromaticContact CD1-CE3 3.76Å; F90-W97 HydrophobicContact CD1-CE3 3.76Å; F90-W97 AromaticContact CD1-CG 3.59Å; F90-W97 HydrophobicContact CD1-CG 3.59Å; F90-W97 HydrophobicContact CD1-CZ3 4.39Å; F90-W97 HydrophobicContact CE1-CB 3.99Å; F90-W97 HydrophobicContact CE1-CD2 4.22Å; F90-W97 HydrophobicContact CE1-CE3 4.31Å; F90-W97 HydrophobicContact CE1-CG 4.11Å; F90-W97 HydrophobicContact CG-CD2 4.26Å; F90-W97 HydrophobicContact CG-CE3 4.38Å; F90-W97 VanDerWaalsContact O-CZ2 3.3Å; F90-W97 WeakPolarHBondContact O-CZ2 3.3Å; Y94-W97 PolarHBondContact O-NE1 3.16Å; Q95-W97 PolarHBondContact O-N 2.78Å; Q95-W97 VanDerWaalsContact O-N 3.09Å; W97-N99 PolarHBondContact O-N 2.76Å; W97-S100 WeakPolarHBondContact O-CB 3.35Å; W97-S100 PolarHBondContact O-N 3.34Å; W97-S100 VanDerWaalsContact O-N 3.13Å; W97-V101 HydrophobicContact CE3-CG2 4.16Å; W97-V101 WeakPolarHBondContact O-CG2 3.43Å; W97-V101 PolarHBondContact O-N 3.18Å |
| 98 | K | 97.6 | Very high | 96.1 | Very high | 45 Ų | 45 | 64.6 Ų | 64.6 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.6 | -30.1 | 174.8 | -69.5 | -177.9 | 169 | 157.3 | 0 | 111.8 | Y80 Q95 G96 R102 | Y80-K98 HydrophobicContact CD1-CB 4.43Å; Y80-K98 HydrophobicContact CD1-CD 4.4Å; Y80-K98 HydrophobicContact CD1-CG 3.88Å; Y80-K98 HydrophobicContact CD2-CD 4.06Å; Y80-K98 HydrophobicContact CD2-CG 4.41Å; Y80-K98 HydrophobicContact CE1-CB 3.72Å; Y80-K98 HydrophobicContact CE1-CD 4.31Å; Y80-K98 HydrophobicContact CE1-CG 3.68Å; Y80-K98 HydrophobicContact CE2-CB 4.48Å; Y80-K98 HydrophobicContact CE2-CD 3.97Å; Y80-K98 HydrophobicContact CE2-CG 4.25Å; Y80-K98 HydrophobicContact CG-CD 4.28Å; Y80-K98 HydrophobicContact CG-CG 4.24Å; Q95-K98 HydrophobicContact CB-CD 4.5Å; Q95-K98 VanDerWaalsContact O-CB 3.31Å; Q95-K98 WeakPolarHBondContact O-CB 3.1Å; Q95-K98 PolarHBondContact O-N 3.03Å; G96-K98 PolarHBondContact O-N 3.1Å; K98-R102 WeakPolarHBondContact O-CG 3.3Å; K98-R102 PolarHBondContact O-N 3.14Å; K98-R102 PolarHBondContact O-NH1 2.82Å |
| 99 | N | 98.1 | Very high | 96.1 | Very high | 95 Ų | 95 | 69.5 Ų | 69.5 | 51% | 0.508 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.1 | -43.4 | 173.2 | -159.4 | 41.9 | 0 | 0 | 0 | 111.3 | G96 W97 V101 R102 H103 | G96-N99 WeakPolarHBondContact O-CB 3.47Å; G96-N99 PolarHBondContact O-N 3.31Å; W97-N99 PolarHBondContact O-N 2.76Å; N99-V101 VanDerWaalsContact C-N 3.3Å; N99-V101 PolarHBondContact O-N 3.03Å; N99-R102 PolarHBondContact O-N 3.49Å; N99-R102 PolarHBondContact OD1-NH2 3.26Å; N99-H103 WeakPolarHBondContact O-CB 3.47Å; N99-H103 PolarHBondContact O-N 2.77Å |
| 100 | S | 97.9 | Very high | 96.1 | Very high | 35 Ų | 35 | 67.4 Ų | 67.4 | 25% | 0.245 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60 | -38.7 | 175.1 | -50.1 | 0 | 0 | 0 | 0 | 112.6 | Y58 G96 W97 N104 | Y58-S100 PolarHBondContact OH-OG 3.24Å; G96-S100 PolarHBondContact O-N 2.81Å; W97-S100 WeakPolarHBondContact O-CB 3.35Å; W97-S100 PolarHBondContact O-N 3.34Å; W97-S100 VanDerWaalsContact O-N 3.13Å; S100-N104 WeakPolarHBondContact O-CB 3.34Å; S100-N104 PolarHBondContact O-N 3.44Å; S100-N104 PolarHBondContact O-ND2 3.12Å |
| 101 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.2 | -51.3 | 174.6 | 170 | 0 | 0 | 0 | 0 | 111.3 | Y58 I62 L76 I79 Y80 L83 W97 N99 H103 N104 L105 | Y58-V101 HydrophobicContact CD1-CG2 4.21Å; I62-V101 HydrophobicContact CD1-CG1 4.26Å; I62-V101 HydrophobicContact CG1-CG1 4.29Å; L76-V101 HydrophobicContact CD1-CG1 4.08Å; I79-V101 HydrophobicContact CG2-CG1 3.94Å; Y80-V101 HydrophobicContact CD1-CG1 4.33Å; Y80-V101 HydrophobicContact CE1-CB 4.18Å; Y80-V101 HydrophobicContact CE1-CG1 4Å; L83-V101 HydrophobicContact CD1-CG2 3.93Å; W97-V101 HydrophobicContact CE3-CG2 4.16Å; W97-V101 WeakPolarHBondContact O-CG2 3.43Å; W97-V101 PolarHBondContact O-N 3.18Å; N99-V101 VanDerWaalsContact C-N 3.3Å; N99-V101 PolarHBondContact O-N 3.03Å; V101-H103 VanDerWaalsContact C-N 3.35Å; V101-H103 PolarHBondContact O-N 3.16Å; V101-N104 PolarHBondContact O-N 3.31Å; V101-L105 HydrophobicContact CG1-CD1 4.18Å; V101-L105 WeakPolarHBondContact O-CG 3.2Å; V101-L105 PolarHBondContact O-N 3.12Å |
| 102 | R | 98.2 | Very high | 96.4 | Very high | 108 Ų | 108 | 63.9 Ų | 63.9 | 41% | 0.408 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56 | -48.5 | 176.5 | -71.1 | -174 | -57 | -96.7 | 13.9 | 112.2 | L76 Y80 K98 N99 N104 L105 S106 | L76-R102 HydrophobicContact CD1-CG 3.93Å; L76-R102 HydrophobicContact CD2-CG 3.81Å; Y80-R102 WeakPolarHBondContact OH-CG 3.45Å; Y80-R102 PolarHBondContact OH-NH1 3.29Å; Y80-R102 VanDerWaalsContact OH-NH1 3.11Å; K98-R102 WeakPolarHBondContact O-CG 3.3Å; K98-R102 PolarHBondContact O-N 3.14Å; K98-R102 PolarHBondContact O-NH1 2.82Å; N99-R102 PolarHBondContact O-N 3.49Å; N99-R102 PolarHBondContact OD1-NH2 3.26Å; R102-N104 VanDerWaalsContact C-N 3.33Å; R102-N104 PolarHBondContact O-N 3.12Å; R102-L105 PolarHBondContact O-N 2.83Å; R102-S106 PolarHBondContact O-N 3.29Å; R102-S106 VanDerWaalsContact O-N 3.15Å; R102-S106 PolarHBondContact O-OG 3.32Å |
| 103 | H | 98.3 | Very high | 96.7 | Very high | 101 Ų | 101 | 67.8 Ų | 67.8 | 47% | 0.468 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 178.7 | 169.4 | 72.9 | 0 | 0 | 0 | 112.4 | N99 V101 S106 L107 | N99-H103 WeakPolarHBondContact O-CB 3.47Å; N99-H103 PolarHBondContact O-N 2.77Å; V101-H103 VanDerWaalsContact C-N 3.35Å; V101-H103 PolarHBondContact O-N 3.16Å; H103-S106 PolarHBondContact O-N 2.85Å; H103-S106 PolarHBondContact O-OG 3.01Å; H103-S106 VanDerWaalsContact O-OG 3.13Å; H103-L107 WeakPolarHBondContact CE1-CD1 3.48Å; H103-L107 WeakPolarHBondContact O-CB 3.19Å; H103-L107 PolarHBondContact O-N 3.23Å |
| 104 | N | 98.2 | Very high | 96.8 | Very high | 25 Ų | 25 | 64.4 Ų | 64.4 | 13% | 0.134 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.2 | -33.7 | 177.6 | -83.6 | -106.6 | 0 | 0 | 0 | 112.6 | I62 S100 V101 R102 S106 N108 | I62-N104 HydrophobicContact CD1-CB 3.92Å; S100-N104 WeakPolarHBondContact O-CB 3.34Å; S100-N104 PolarHBondContact O-N 3.44Å; S100-N104 PolarHBondContact O-ND2 3.12Å; V101-N104 PolarHBondContact O-N 3.31Å; R102-N104 VanDerWaalsContact C-N 3.33Å; R102-N104 PolarHBondContact O-N 3.12Å; N104-S106 VanDerWaalsContact C-N 3.34Å; N104-N108 PolarHBondContact O-N 3.42Å; N104-N108 PolarHBondContact O-ND2 3.34Å |
| 105 | L | 98 | Very high | 96.8 | Very high | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.8 | -35.8 | 173.2 | -71.6 | 166.7 | 0 | 0 | 0 | 112.3 | I62 L76 I79 V101 R102 F111 W127 | I62-L105 HydrophobicContact CD1-CD2 4.18Å; I62-L105 HydrophobicContact CD1-CG 4.04Å; I62-L105 HydrophobicContact CG2-CD2 3.71Å; L76-L105 HydrophobicContact CD1-CD1 3.7Å; I79-L105 HydrophobicContact CD1-CD1 4.2Å; I79-L105 HydrophobicContact CD1-CD2 4.25Å; V101-L105 HydrophobicContact CG1-CD1 4.18Å; V101-L105 WeakPolarHBondContact O-CG 3.2Å; V101-L105 PolarHBondContact O-N 3.12Å; R102-L105 PolarHBondContact O-N 2.83Å; L105-F111 HydrophobicContact CD2-CB 4.06Å; L105-F111 HydrophobicContact CD2-CD1 4.4Å; L105-F111 HydrophobicContact CD2-CD2 4.17Å; L105-F111 HydrophobicContact CD2-CG 3.95Å; L105-W127 HydrophobicContact CB-CD2 4.2Å; L105-W127 HydrophobicContact CB-CE3 4.15Å; L105-W127 HydrophobicContact CB-CH2 4.02Å; L105-W127 HydrophobicContact CB-CZ2 4.09Å; L105-W127 HydrophobicContact CB-CZ3 4.05Å; L105-W127 HydrophobicContact CD1-CD2 4.35Å; L105-W127 HydrophobicContact CD1-CG 4.37Å; L105-W127 HydrophobicContact CD2-CB 4.12Å; L105-W127 HydrophobicContact CD2-CD2 3.89Å; L105-W127 HydrophobicContact CD2-CE3 4.04Å; L105-W127 HydrophobicContact CD2-CG 3.92Å; L105-W127 HydrophobicContact CG-CD2 4.38Å; L105-W127 WeakPolarHBondContact O-CZ3 3.48Å |
| 106 | S | 97.2 | Very high | 96.4 | Very high | 92 Ų | 92 | 60.1 Ų | 60.1 | 64% | 0.643 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -88.2 | -20.7 | 179.5 | 58.9 | 0 | 0 | 0 | 0 | 115.1 | R102 H103 N104 | R102-S106 PolarHBondContact O-N 3.29Å; R102-S106 VanDerWaalsContact O-N 3.15Å; R102-S106 PolarHBondContact O-OG 3.32Å; H103-S106 PolarHBondContact O-N 2.85Å; H103-S106 PolarHBondContact O-OG 3.01Å; H103-S106 VanDerWaalsContact O-OG 3.13Å; N104-S106 VanDerWaalsContact C-N 3.34Å |
| 107 | L | 96.5 | Very high | 95.7 | Very high | 105 Ų | 105 | 61.6 Ų | 61.6 | 55% | 0.55 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -93.6 | -29.1 | -175.1 | -179.9 | 146.7 | 0 | 0 | 0 | 113.8 | H103 | H103-L107 WeakPolarHBondContact CE1-CD1 3.48Å; H103-L107 WeakPolarHBondContact O-CB 3.19Å; H103-L107 PolarHBondContact O-N 3.23Å |
| 108 | N | 96.1 | Very high | 94.4 | Very high | 34 Ų | 34 | 70.1 Ų | 70.1 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | trans | -105.1 | 122.4 | -173.4 | -57.7 | -90.4 | 0 | 0 | 0 | 110.6 | I59 N104 C110 F111 | I59-N108 VanDerWaalsContact CD1-OD1 3.24Å; I59-N108 WeakPolarHBondContact CD1-OD1 3.49Å; N104-N108 PolarHBondContact O-N 3.42Å; N104-N108 PolarHBondContact O-ND2 3.34Å; N108-C110 PolarHBondContact O-N 2.79Å; N108-F111 HydrophobicContact CB-CD2 4.28Å; N108-F111 HydrophobicContact CB-CE2 4.49Å; N108-F111 PolarHBondContact O-N 3.27Å | ||
| 109 | E | 94.7 | Very high | 93.2 | Very high | 169 Ų | 169 | 71.6 Ų | 71.6 | 79% | 0.79 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -24.2 | 176.9 | -61.8 | 166.3 | 137 | 0 | 0 | 113 | F111 | E109-F111 PolarHBondContact O-N 3.39Š|
| 110 | C | 95.4 | Very high | 92.1 | Very high | 17 Ų | 17 | 76.5 Ų | 76.5 | 12% | 0.115 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -9.6 | 174.8 | -48.9 | 0 | 0 | 0 | 0 | 114.9 | N108 I129 D130 S133 F137 | N108-C110 PolarHBondContact O-N 2.79Å; C110-I129 WeakPolarHBondContact O-CA 3.42Å; C110-D130 PolarHBondContact O-N 3.19Å; C110-S133 WeakPolarHBondContact CA-OG 3.49Å; C110-F137 HydrophobicContact CB-CE2 4.49Å |
| 111 | F | 97.5 | Very high | 90.8 | Very high | 9 Ų | 9 | 81.3 Ų | 81.3 | 4% | 0.039 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 114.7 | 176.3 | -55.4 | -58.5 | 0 | 0 | 0 | 111.2 | I59 I62 V63 I66 L105 N108 E109 W127 T128 I129 | I59-F111 HydrophobicContact CB-CE2 4.39Å; I59-F111 HydrophobicContact CB-CZ 4.38Å; I59-F111 HydrophobicContact CG1-CE2 4.49Å; I59-F111 HydrophobicContact CG2-CE2 3.98Å; I59-F111 HydrophobicContact CG2-CZ 3.77Å; I62-F111 HydrophobicContact CB-CE1 3.99Å; I62-F111 HydrophobicContact CB-CE2 4.27Å; I62-F111 HydrophobicContact CB-CZ 3.64Å; I62-F111 HydrophobicContact CD1-CE2 4.05Å; I62-F111 HydrophobicContact CD1-CZ 4.29Å; I62-F111 HydrophobicContact CG2-CD1 3.87Å; I62-F111 HydrophobicContact CG2-CE1 3.37Å; I62-F111 HydrophobicContact CG2-CE2 4.13Å; I62-F111 HydrophobicContact CG2-CG 4.44Å; I62-F111 HydrophobicContact CG2-CZ 3.51Å; V63-F111 HydrophobicContact CG2-CE1 3.75Å; V63-F111 HydrophobicContact CG2-CZ 3.93Å; I66-F111 HydrophobicContact CD1-CD1 4.06Å; I66-F111 HydrophobicContact CD1-CE1 4.25Å; L105-F111 HydrophobicContact CD2-CB 4.06Å; L105-F111 HydrophobicContact CD2-CD1 4.4Å; L105-F111 HydrophobicContact CD2-CD2 4.17Å; L105-F111 HydrophobicContact CD2-CG 3.95Å; N108-F111 HydrophobicContact CB-CD2 4.28Å; N108-F111 HydrophobicContact CB-CE2 4.49Å; N108-F111 PolarHBondContact O-N 3.27Å; E109-F111 PolarHBondContact O-N 3.39Å; F111-W127 HydrophobicContact CB-CE3 4.11Å; F111-W127 HydrophobicContact CB-CZ3 4.5Å; F111-T128 WeakPolarHBondContact CA-O 3.3Å; F111-I129 HydrophobicContact CE1-CG1 4.49Å |
| 112 | I | 97.3 | Very high | 89.9 | Confident | 68 Ų | 68 | 83.6 Ų | 83.6 | 35% | 0.349 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 140.1 | 177.3 | 60.1 | 175.9 | 0 | 0 | 0 | 111.5 | W127 T128 D130 | I112-W127 WeakPolarHBondContact O-CA 3.42Å; I112-T128 HydrophobicContact CD1-CG2 3.8Å; I112-T128 HydrophobicContact CG1-CG2 3.38Å; I112-T128 PolarHBondContact N-O 2.92Å; I112-T128 PolarHBondContact O-N 3.17Å; I112-T128 VanDerWaalsContact O-N 3.13Å; I112-D130 HydrophobicContact CG2-CB 4.15Å |
| 113 | K | 97.3 | Very high | 89.2 | Confident | 123 Ų | 123 | 88.1 Ų | 88.1 | 54% | 0.535 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 107.7 | -176.5 | 178 | -165.9 | 166.3 | -162 | 0 | 109.7 | H125 W127 | K113-H125 WeakPolarHBondContact CE-CD2 3.24Å; K113-H125 WeakPolarHBondContact CE-NE2 3.21Å; K113-H125 HydrophobicContact CG-CB 3.97Å; K113-W127 HydrophobicContact CB-CE3 4.1Å; K113-W127 HydrophobicContact CB-CH2 3.95Å; K113-W127 HydrophobicContact CB-CZ2 4.37Å; K113-W127 HydrophobicContact CB-CZ3 3.8Å; K113-W127 HydrophobicContact CG-CH2 4.39Å; K113-W127 HydrophobicContact CG-CZ2 4.38Å |
| 114 | L | 95.1 | Very high | 88.8 | Confident | 51 Ų | 51 | 85.4 Ų | 85.4 | 27% | 0.267 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 141.4 | 177.7 | -59.1 | 178.5 | 0 | 0 | 0 | 111.6 | Y126 T128 | L114-Y126 PolarHBondContact N-O 2.74Å; L114-Y126 PolarHBondContact O-N 2.93Å; L114-T128 HydrophobicContact CD1-CG2 3.69Å; L114-T128 HydrophobicContact CD2-CG2 4.12Å; L114-T128 HydrophobicContact CG-CG2 3.84Å |
| 115 | P | 92.8 | Very high | 88.7 | Confident | 106 Ų | 106 | 88.1 Ų | 88.1 | 69% | 0.688 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -64 | 154 | 170.1 | 29.1 | -34.6 | 0 | 0 | 0 | 110.9 | ||
| 116 | K | 86.9 | Confident | 88.6 | Confident | 47 Ų | 47 | 90.7 Ų | 90.7 | 20% | 0.204 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 134.6 | 167.1 | -64.5 | -178.9 | 71.6 | -179.3 | 0 | 108.1 | L118 G122 K123 G124 Y126 | K116-L118 PolarHBondContact O-N 3.27Å; K116-G122 VanDerWaalsContact NZ-C 3.28Å; K116-G122 PolarHBondContact NZ-O 3.28Å; K116-K123 PolarHBondContact NZ-O 3.19Å; K116-G124 WeakPolarHBondContact CD-O 3.18Å; K116-Y126 HydrophobicContact CG-CD2 3.81Å; K116-Y126 HydrophobicContact CG-CE2 3.94Å |
| 117 | G | 81.4 | Confident | 88.6 | Confident | 57 Ų | 57 | 88.3 Ų | 88.3 | 59% | 0.588 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 133.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G119 R120 | G117-G119 PolarHBondContact O-N 3.13Å; G117-R120 PolarHBondContact O-N 3.49Å |
| 118 | L | 70.9 | Confident | 88.7 | Confident | 182 Ų | 182 | 84.5 Ų | 84.5 | 95% | 0.953 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 131.5 | 175.2 | -71.3 | 69.9 | 0 | 0 | 0 | 108.1 | K116 | K116-L118 PolarHBondContact O-N 3.27Š|
| 119 | G | 71.8 | Confident | 88.7 | Confident | 76 Ų | 76 | 83 Ų | 83 | 78% | 0.784 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.8 | -6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | G117 P121 | G117-G119 PolarHBondContact O-N 3.13Å; G119-P121 VanDerWaalsContact O-CD 3.27Å; G119-P121 WeakPolarHBondContact O-CD 3.16Å |
| 120 | R | 75.2 | Confident | 88.8 | Confident | 198 Ų | 198 | 77 Ų | 77 | 75% | 0.747 | 44% | 0.435 | S | S | * | . | trans | -103.9 | 92.5 | 165.8 | -68.5 | -156.2 | -176.8 | -79 | 0.4 | 111.7 | G117 G122 | G117-R120 PolarHBondContact O-N 3.49Å; R120-G122 PolarHBondContact O-N 3.41Å | ||
| 121 | P | 71.3 | Confident | 88.8 | Confident | 136 Ų | 136 | 80.6 Ų | 80.6 | 88% | 0.883 | 46% | 0.458 | S | S | * | . | trans | -63.4 | 119.6 | -179.7 | 26.7 | -34.3 | 0 | 0 | 0 | 110.4 | G119 | G119-P121 VanDerWaalsContact O-CD 3.27Å; G119-P121 WeakPolarHBondContact O-CD 3.16Å | ||
| 122 | G | 78.9 | Confident | 88.5 | Confident | 48 Ų | 48 | 83.8 Ų | 83.8 | 50% | 0.495 | 49% | 0.486 | S | S | . | . | trans | 171.6 | 143.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K116 R120 | K116-G122 VanDerWaalsContact NZ-C 3.28Å; K116-G122 PolarHBondContact NZ-O 3.28Å; R120-G122 PolarHBondContact O-N 3.41Å | ||
| 123 | K | 83.3 | Confident | 88.1 | Confident | 203 Ų | 203 | 80.7 Ų | 80.7 | 88% | 0.883 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -60 | 152.1 | -171.7 | -162.5 | 164 | -174.7 | 165.1 | 0 | 113.6 | K116 | K116-K123 PolarHBondContact NZ-O 3.19Š|
| 124 | G | 89.8 | Confident | 87.7 | Confident | 44 Ų | 44 | 78 Ų | 78 | 45% | 0.454 | 46% | 0.46 | S | S | . | . | S | Bend | trans | 78.4 | -165.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K116 | K116-G124 WeakPolarHBondContact CD-O 3.18Š|
| 125 | H | 94.9 | Very high | 87.3 | Confident | 81 Ų | 81 | 82.3 Ų | 82.3 | 38% | 0.375 | 48% | 0.477 | S | S | . | . | trans | -126.2 | 163.5 | 176.2 | -67.5 | 75.1 | 0 | 0 | 0 | 108.9 | T75 K113 | T75-H125 WeakPolarHBondContact CA-O 3.43Å; K113-H125 WeakPolarHBondContact CE-CD2 3.24Å; K113-H125 WeakPolarHBondContact CE-NE2 3.21Å; K113-H125 HydrophobicContact CG-CB 3.97Å | ||
| 126 | Y | 96.6 | Very high | 86.8 | Confident | 58 Ų | 58 | 79 Ų | 79 | 23% | 0.227 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 149.2 | 167.6 | -70.3 | -63.9 | 0 | 0 | 0 | 110.3 | R73 T75 L114 K116 | R73-Y126 HydrophobicContact CG-CD1 4.26Å; R73-Y126 HydrophobicContact CG-CG 4.4Å; T75-Y126 HydrophobicContact CG2-CD1 3.68Å; T75-Y126 HydrophobicContact CG2-CE1 3.69Å; L114-Y126 PolarHBondContact N-O 2.74Å; L114-Y126 PolarHBondContact O-N 2.93Å; K116-Y126 HydrophobicContact CG-CD2 3.81Å; K116-Y126 HydrophobicContact CG-CE2 3.94Å |
| 127 | W | 97.9 | Very high | 86.6 | Confident | 43 Ų | 43 | 77.6 Ų | 77.6 | 16% | 0.163 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133.7 | 170.4 | -64.4 | 89.9 | 0 | 0 | 0 | 108.5 | I66 R73 L74 L105 F111 I112 K113 | I66-W127 HydrophobicContact CD1-CB 4.49Å; R73-W127 CarbonylContact C-O 3.56Å; R73-W127 VanDerWaalsContact CA-O 3.23Å; R73-W127 WeakPolarHBondContact CA-O 3.35Å; L74-W127 PolarHBondContact N-O 2.74Å; L74-W127 PolarHBondContact O-N 2.97Å; L105-W127 HydrophobicContact CB-CD2 4.2Å; L105-W127 HydrophobicContact CB-CE3 4.15Å; L105-W127 HydrophobicContact CB-CH2 4.02Å; L105-W127 HydrophobicContact CB-CZ2 4.09Å; L105-W127 HydrophobicContact CB-CZ3 4.05Å; L105-W127 HydrophobicContact CD1-CD2 4.35Å; L105-W127 HydrophobicContact CD1-CG 4.37Å; L105-W127 HydrophobicContact CD2-CB 4.12Å; L105-W127 HydrophobicContact CD2-CD2 3.89Å; L105-W127 HydrophobicContact CD2-CE3 4.04Å; L105-W127 HydrophobicContact CD2-CG 3.92Å; L105-W127 HydrophobicContact CG-CD2 4.38Å; L105-W127 WeakPolarHBondContact O-CZ3 3.48Å; F111-W127 HydrophobicContact CB-CE3 4.11Å; F111-W127 HydrophobicContact CB-CZ3 4.5Å; I112-W127 WeakPolarHBondContact O-CA 3.42Å; K113-W127 HydrophobicContact CB-CE3 4.1Å; K113-W127 HydrophobicContact CB-CH2 3.95Å; K113-W127 HydrophobicContact CB-CZ2 4.37Å; K113-W127 HydrophobicContact CB-CZ3 3.8Å; K113-W127 HydrophobicContact CG-CH2 4.39Å; K113-W127 HydrophobicContact CG-CZ2 4.38Å |
| 128 | T | 97.8 | Very high | 86.4 | Confident | 25 Ų | 25 | 82.3 Ų | 82.3 | 15% | 0.153 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 164.5 | 169.8 | -178.3 | 0 | 0 | 0 | 0 | 109 | K72 F111 I112 L114 | K72-T128 PolarHBondContact O-OG1 2.84Å; K72-T128 VanDerWaalsContact O-OG1 3.04Å; F111-T128 WeakPolarHBondContact CA-O 3.3Å; I112-T128 HydrophobicContact CD1-CG2 3.8Å; I112-T128 HydrophobicContact CG1-CG2 3.38Å; I112-T128 PolarHBondContact N-O 2.92Å; I112-T128 PolarHBondContact O-N 3.17Å; I112-T128 VanDerWaalsContact O-N 3.13Å; L114-T128 HydrophobicContact CD1-CG2 3.69Å; L114-T128 HydrophobicContact CD2-CG2 4.12Å; L114-T128 HydrophobicContact CG-CG2 3.84Å |
| 129 | I | 97 | Very high | 86.5 | Confident | 3 Ų | 3 | 82.1 Ų | 82.1 | 2% | 0.015 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 142 | 163.8 | -63.8 | 157 | 0 | 0 | 0 | 107.7 | V63 I66 Q67 C110 F111 E134 | V63-I129 HydrophobicContact CB-CD1 4.35Å; V63-I129 HydrophobicContact CG1-CD1 3.87Å; V63-I129 HydrophobicContact CG2-CD1 4.3Å; V63-I129 HydrophobicContact CG2-CG1 4.28Å; I66-I129 HydrophobicContact CB-CD1 4.17Å; I66-I129 HydrophobicContact CB-CG1 4.29Å; I66-I129 HydrophobicContact CD1-CG1 4.33Å; I66-I129 HydrophobicContact CG2-CD1 3.95Å; I66-I129 HydrophobicContact CG2-CG1 3.97Å; Q67-I129 HydrophobicContact CG-CD1 3.69Å; C110-I129 WeakPolarHBondContact O-CA 3.42Å; F111-I129 HydrophobicContact CE1-CG1 4.49Å; I129-E134 HydrophobicContact CG2-CB 3.99Å; I129-E134 HydrophobicContact CG2-CG 4.36Å |
| 130 | D | 96.3 | Very high | 86.4 | Confident | 41 Ų | 41 | 80.7 Ų | 80.7 | 22% | 0.219 | 43% | 0.433 | C | S | . | . | trans | -69.5 | 124.2 | 168 | 166 | 25.5 | 0 | 0 | 0 | 109.5 | C110 I112 A132 S133 E134 | C110-D130 PolarHBondContact O-N 3.19Å; I112-D130 HydrophobicContact CG2-CB 4.15Å; D130-A132 PolarHBondContact O-N 2.99Å; D130-A132 PolarHBondContact OD1-N 3.05Å; D130-S133 CarbonylContact O-C 3.6Å; D130-S133 WeakPolarHBondContact O-CA 3.45Å; D130-S133 WeakPolarHBondContact O-CB 3.31Å; D130-S133 PolarHBondContact O-N 2.94Å; D130-S133 PolarHBondContact O-OG 3.28Å; D130-E134 PolarHBondContact O-N 3.28Å; D130-E134 VanDerWaalsContact O-N 3.16Å | ||
| 131 | P | 94.3 | Very high | 86.4 | Confident | 93 Ų | 93 | 72.8 Ų | 72.8 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -53 | -34.7 | 175.6 | -27.7 | 36.1 | 0 | 0 | 0 | 113.9 | S133 E134 | P131-S133 PolarHBondContact O-N 3.21Å; P131-E134 PolarHBondContact O-N 2.92Å |
| 132 | A | 91.3 | Very high | 86.7 | Confident | 76 Ų | 76 | 68.4 Ų | 68.4 | 63% | 0.628 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -71.3 | 1.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D130 F135 | D130-A132 PolarHBondContact O-N 2.99Å; D130-A132 PolarHBondContact OD1-N 3.05Å; A132-F135 VanDerWaalsContact O-CE1 3.31Å; A132-F135 WeakPolarHBondContact O-CE1 3.46Å |
| 133 | S | 89.4 | Confident | 86.5 | Confident | 3 Ų | 3 | 76.2 Ų | 76.2 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -123.5 | -12.5 | 177.1 | 81.7 | 0 | 0 | 0 | 0 | 114.5 | C110 D130 P131 F135 M136 F137 | C110-S133 WeakPolarHBondContact CA-OG 3.49Å; D130-S133 CarbonylContact O-C 3.6Å; D130-S133 WeakPolarHBondContact O-CA 3.45Å; D130-S133 WeakPolarHBondContact O-CB 3.31Å; D130-S133 PolarHBondContact O-N 2.94Å; D130-S133 PolarHBondContact O-OG 3.28Å; P131-S133 PolarHBondContact O-N 3.21Å; S133-F135 VanDerWaalsContact C-N 3.35Å; S133-F135 PolarHBondContact O-N 3.24Å; S133-M136 WeakPolarHBondContact O-CB 3.49Å; S133-M136 PolarHBondContact O-N 3.31Å; S133-M136 VanDerWaalsContact O-N 3.1Å; S133-F137 WeakPolarHBondContact O-CD2 3.45Å |
| 134 | E | 88.9 | Confident | 85.8 | Confident | 66 Ų | 66 | 74.7 Ų | 74.7 | 31% | 0.308 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | -168.6 | -173 | 153.9 | -147.8 | 0 | 0 | 112.8 | I129 D130 P131 M136 F137 E138 | I129-E134 HydrophobicContact CG2-CB 3.99Å; I129-E134 HydrophobicContact CG2-CG 4.36Å; D130-E134 PolarHBondContact O-N 3.28Å; D130-E134 VanDerWaalsContact O-N 3.16Å; P131-E134 PolarHBondContact O-N 2.92Å; E134-M136 PolarHBondContact O-N 3.13Å; E134-F137 PolarHBondContact O-N 2.95Å; E134-E138 PolarHBondContact O-N 3.49Å |
| 135 | F | 86.4 | Confident | 84.8 | Confident | 143 Ų | 143 | 78.3 Ų | 78.3 | 63% | 0.627 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -55.3 | -23.1 | 175.9 | 74.3 | -96.1 | 0 | 0 | 0 | 114.1 | A132 S133 F137 | A132-F135 VanDerWaalsContact O-CE1 3.31Å; A132-F135 WeakPolarHBondContact O-CE1 3.46Å; S133-F135 VanDerWaalsContact C-N 3.35Å; S133-F135 PolarHBondContact O-N 3.24Å; F135-F137 PolarHBondContact O-N 3.11Å |
| 136 | M | 83.4 | Confident | 83.6 | Confident | 35 Ų | 35 | 79.8 Ų | 79.8 | 17% | 0.172 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.8 | -11.9 | 178.1 | -69.9 | -169.9 | -79.7 | 0 | 0 | 113.6 | S133 E134 | S133-M136 WeakPolarHBondContact O-CB 3.49Å; S133-M136 PolarHBondContact O-N 3.31Å; S133-M136 VanDerWaalsContact O-N 3.1Å; E134-M136 PolarHBondContact O-N 3.13Å |
| 137 | F | 82.6 | Confident | 81.8 | Confident | 19 Ų | 19 | 89.1 Ų | 89.1 | 8% | 0.083 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -125.7 | -13 | -171.9 | -51.4 | -74.8 | 0 | 0 | 0 | 114.5 | I59 V63 C110 S133 E134 F135 F142 | I59-F137 HydrophobicContact CG2-CE1 4.01Å; I59-F137 HydrophobicContact CG2-CZ 3.79Å; V63-F137 HydrophobicContact CB-CD1 4.41Å; V63-F137 HydrophobicContact CB-CG 4.42Å; V63-F137 HydrophobicContact CG1-CB 3.7Å; V63-F137 HydrophobicContact CG1-CD1 4.09Å; V63-F137 HydrophobicContact CG1-CD2 4.18Å; V63-F137 HydrophobicContact CG1-CG 3.72Å; V63-F137 HydrophobicContact CG2-CD1 4.04Å; V63-F137 HydrophobicContact CG2-CD2 3.99Å; V63-F137 HydrophobicContact CG2-CE1 3.98Å; V63-F137 HydrophobicContact CG2-CE2 3.93Å; V63-F137 HydrophobicContact CG2-CG 4.04Å; V63-F137 HydrophobicContact CG2-CZ 3.93Å; C110-F137 HydrophobicContact CB-CE2 4.49Å; S133-F137 WeakPolarHBondContact O-CD2 3.45Å; E134-F137 PolarHBondContact O-N 2.95Å; F135-F137 PolarHBondContact O-N 3.11Å; F137-F142 HydrophobicContact CB-CE1 4.21Å; F137-F142 WeakPolarHBondContact O-CZ 3.34Å |
| 138 | E | 76.8 | Confident | 80 | Confident | 156 Ų | 156 | 88.8 Ų | 88.8 | 73% | 0.729 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.2 | -42.2 | -178.8 | -170 | 165.6 | -151.1 | 0 | 0 | 112.3 | E134 G140 | E134-E138 PolarHBondContact O-N 3.49Å; E138-G140 PolarHBondContact O-N 3.28Å |
| 139 | E | 72 | Confident | 78 | Confident | 177 Ų | 177 | 93.9 Ų | 93.9 | 83% | 0.827 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 27.8 | 179.7 | -155.9 | -174 | -149.6 | 0 | 0 | 114 | S141 | E139-S141 PolarHBondContact O-N 3.2Š|
| 140 | G | 70.3 | Confident | 76.1 | Confident | 46 Ų | 46 | 101.4 Ų | 101.4 | 47% | 0.474 | 49% | 0.488 | S | S | . | . | S | Bend | trans | 65.7 | 8.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | E138 F142 | E138-G140 PolarHBondContact O-N 3.28Å; G140-F142 WeakPolarHBondContact O-CD2 3.43Å; G140-F142 PolarHBondContact O-N 3.38Å |
| 141 | S | 74.6 | Confident | 74.1 | Confident | 33 Ų | 33 | 109 Ų | 109 | 23% | 0.231 | 51% | 0.514 | C | S | . | . | trans | -70.9 | 41 | -174.5 | 175.7 | 0 | 0 | 0 | 0 | 114.6 | E139 R143 R145 | E139-S141 PolarHBondContact O-N 3.2Å; S141-R143 VanDerWaalsContact C-N 3.27Å; S141-R143 PolarHBondContact O-N 2.81Å; S141-R145 PolarHBondContact OG-NE 3.04Å; S141-R145 PolarHBondContact OG-NH2 3.4Å | ||
| 142 | F | 78.9 | Confident | 71.9 | Confident | 43 Ų | 43 | 113.2 Ų | 113.2 | 19% | 0.189 | 52% | 0.523 | C | S | . | . | trans | -71.4 | -17.9 | 178.6 | -56.8 | -68.4 | 0 | 0 | 0 | 113.9 | Y56 A60 V63 M64 F137 G140 | Y56-F142 HydrophobicContact CD1-CB 3.85Å; Y56-F142 HydrophobicContact CE1-CB 3.83Å; A60-F142 HydrophobicContact CB-CB 4.22Å; A60-F142 HydrophobicContact CB-CD1 4.3Å; A60-F142 WeakPolarHBondContact CB-O 3.13Å; V63-F142 HydrophobicContact CG1-CE1 3.97Å; M64-F142 HydrophobicContact CG-CD1 3.86Å; M64-F142 HydrophobicContact CG-CE1 3.83Å; M64-F142 HydrophobicContact CG-CG 4.35Å; M64-F142 HydrophobicContact CG-CZ 4.29Å; M64-F142 HydrophobicContact SD-CD1 4.42Å; M64-F142 HydrophobicContact SD-CG 4.37Å; F137-F142 HydrophobicContact CB-CE1 4.21Å; F137-F142 WeakPolarHBondContact O-CZ 3.34Å; G140-F142 WeakPolarHBondContact O-CD2 3.43Å; G140-F142 PolarHBondContact O-N 3.38Å | ||
| 143 | R | 74.9 | Confident | 70.2 | Confident | 212 Ų | 212 | 113.4 Ų | 113.4 | 80% | 0.8 | 52% | 0.518 | S | S | * | . | B | Isolated β-bridge | trans | -67.4 | 143.9 | 176.4 | -64.9 | -177.8 | 73.2 | -151.4 | 4.4 | 110.8 | S141 R145 | S141-R143 VanDerWaalsContact C-N 3.27Å; S141-R143 PolarHBondContact O-N 2.81Å; R143-R145 PolarHBondContact O-N 2.95Å; R143-R145 VanDerWaalsContact O-N 3.14Å |
| 144 | R | 68.8 | Low | 68.5 | Low | 171 Ų | 171 | 119.7 Ų | 119.7 | 65% | 0.645 | 55% | 0.548 | S | S | * | . | trans | -67.2 | 111.3 | -178.9 | -62.3 | -174.9 | 66.1 | -161.4 | 0.2 | 111.3 | ||||
| 145 | R | 69 | Low | 66.9 | Low | 121 Ų | 121 | 120.5 Ų | 120.5 | 46% | 0.457 | 57% | 0.566 | S | S | . | * | trans | -61.1 | 137.5 | 169 | -59.2 | -176.6 | -170.7 | 170.8 | 5.3 | 109.9 | S141 R143 | S141-R145 PolarHBondContact OG-NE 3.04Å; S141-R145 PolarHBondContact OG-NH2 3.4Å; R143-R145 PolarHBondContact O-N 2.95Å; R143-R145 VanDerWaalsContact O-N 3.14Å | ||
| 146 | P | 67.9 | Low | 65.6 | Low | 111 Ų | 111 | 121.1 Ų | 121.1 | 72% | 0.721 | 57% | 0.574 | S | S | * | * | trans | -58.7 | 152.6 | 179.5 | -27 | 35.6 | 0 | 0 | 0 | 114 | G148 | P146-G148 PolarHBondContact O-N 2.95Š| ||
| 147 | R | 59.3 | Low | 64 | Low | 255 Ų | 255 | 127.6 Ų | 127.6 | 96% | 0.962 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 77.1 | 175.9 | -70.5 | -166.9 | -169.1 | -106.5 | 15.9 | 111.2 | ||
| 148 | G | 59.7 | Low | 62.3 | Low | 36 Ų | 36 | 131.1 Ų | 131.1 | 37% | 0.371 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -172 | -34 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P146 R150 R151 | P146-G148 PolarHBondContact O-N 2.95Å; G148-R150 VanDerWaalsContact C-N 3.35Å; G148-R150 PolarHBondContact O-N 3.41Å; G148-R151 PolarHBondContact O-N 3.42Å |
| 149 | F | 56.8 | Low | 61 | Low | 132 Ų | 132 | 131.2 Ų | 131.2 | 58% | 0.579 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -40.3 | -174.2 | -166.5 | -97.3 | 0 | 0 | 0 | 114 | R151 K152 | F149-R151 PolarHBondContact O-N 3.13Å; F149-R151 VanDerWaalsContact O-N 3.13Å; F149-K152 PolarHBondContact O-N 3.3Å |
| 150 | R | 56 | Low | 60.1 | Low | 161 Ų | 161 | 131.6 Ų | 131.6 | 61% | 0.608 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60.7 | -21.3 | -177.8 | -92.5 | -81 | -178.5 | 159.7 | -2.3 | 114.9 | G148 K152 C153 | G148-R150 VanDerWaalsContact C-N 3.35Å; G148-R150 PolarHBondContact O-N 3.41Å; R150-K152 VanDerWaalsContact C-N 3.33Å; R150-K152 PolarHBondContact O-N 3.15Å; R150-C153 PolarHBondContact O-N 3.25Å |
| 151 | R | 54.4 | Low | 59.3 | Low | 201 Ų | 201 | 134.6 Ų | 134.6 | 76% | 0.758 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.7 | -31.4 | -178.9 | -76 | -165.4 | -71.4 | 174 | -4.2 | 113.4 | G148 F149 | G148-R151 PolarHBondContact O-N 3.42Å; F149-R151 PolarHBondContact O-N 3.13Å; F149-R151 VanDerWaalsContact O-N 3.13Å |
| 152 | K | 49.9 | Very low | 58.3 | Low | 180 Ų | 180 | 139.8 Ų | 139.8 | 78% | 0.783 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.5 | -35.1 | -178.8 | -66.1 | -164.8 | 175.4 | -169.5 | 0 | 112.8 | F149 R150 Q154 A155 | F149-K152 PolarHBondContact O-N 3.3Å; R150-K152 VanDerWaalsContact C-N 3.33Å; R150-K152 PolarHBondContact O-N 3.15Å; K152-Q154 VanDerWaalsContact C-N 3.3Å; K152-Q154 PolarHBondContact O-N 2.96Å; K152-A155 PolarHBondContact O-N 3.14Å |
| 153 | C | 53.6 | Low | 57.1 | Low | 80 Ų | 80 | 146 Ų | 146 | 54% | 0.541 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -73.7 | -17.3 | -178.7 | -53.2 | 0 | 0 | 0 | 0 | 114.1 | R150 | R150-C153 PolarHBondContact O-N 3.25Å |
| 154 | Q | 54.6 | Low | 56 | Low | 136 Ų | 136 | 143.2 Ų | 143.2 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -84.9 | -20.8 | 177.8 | -73.2 | 179.2 | -33.8 | 0 | 0 | 112.9 | K152 L156 K157 | K152-Q154 VanDerWaalsContact C-N 3.3Å; K152-Q154 PolarHBondContact O-N 2.96Å; Q154-L156 PolarHBondContact O-N 3.27Å; Q154-K157 PolarHBondContact O-N 3.05Å |
| 155 | A | 55.8 | Low | 55.2 | Low | 83 Ų | 83 | 138.6 Ų | 138.6 | 69% | 0.686 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -7.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K152 | K152-A155 PolarHBondContact O-N 3.14Š|
| 156 | L | 58.5 | Low | 54.5 | Low | 155 Ų | 155 | 140.8 Ų | 140.8 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 8.4 | 176.6 | -69.2 | 173.1 | 0 | 0 | 0 | 113.6 | Q154 P158 | Q154-L156 PolarHBondContact O-N 3.27Å; L156-P158 WeakPolarHBondContact O-CD 3.36Å |
| 157 | K | 49.4 | Very low | 53.6 | Low | 171 Ų | 171 | 139.2 Ų | 139.2 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -84.6 | 113.5 | 162.8 | -73.3 | -165.3 | 171.6 | -167.2 | 0 | 108.4 | Q154 | Q154-K157 PolarHBondContact O-N 3.05Š|
| 158 | P | 47 | Very low | 52.7 | Low | 94 Ų | 94 | 135.8 Ų | 135.8 | 61% | 0.61 | 72% | 0.715 | S | S | * | * | trans | -63.6 | 147.1 | -178.3 | 23.1 | -30.7 | 0 | 0 | 0 | 111.5 | L156 Y160 | L156-P158 WeakPolarHBondContact O-CD 3.36Å; P158-Y160 HydrophobicContact CB-CD1 4.36Å; P158-Y160 HydrophobicContact CG-CD1 4Å; P158-Y160 HydrophobicContact CG-CE1 4.04Å; P158-Y160 WeakPolarHBondContact O-CD1 3.4Å; P158-Y160 PolarHBondContact O-N 3.2Å | ||
| 159 | M | 50.3 | Low | 52.3 | Low | 157 Ų | 157 | 142.3 Ų | 142.3 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 44.5 | -165.9 | -82 | -174.5 | 152.4 | 0 | 0 | 114.9 | M162 | M159-M162 HydrophobicContact CB-CE 4.03Å; M159-M162 HydrophobicContact CE-CE 4Å; M159-M162 HydrophobicContact CG-CE 4.01Å; M159-M162 HydrophobicContact SD-CE 3.62Å |
| 160 | Y | 52.7 | Low | 51.5 | Low | 186 Ų | 186 | 142.7 Ų | 142.7 | 73% | 0.729 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -18.3 | 176.5 | 67.3 | -89.4 | 0 | 0 | 0 | 113.9 | P158 M162 | P158-Y160 HydrophobicContact CB-CD1 4.36Å; P158-Y160 HydrophobicContact CG-CD1 4Å; P158-Y160 HydrophobicContact CG-CE1 4.04Å; P158-Y160 WeakPolarHBondContact O-CD1 3.4Å; P158-Y160 PolarHBondContact O-N 3.2Å; Y160-M162 VanDerWaalsContact C-N 3.25Å; Y160-M162 PolarHBondContact O-N 3.09Å; Y160-M162 VanDerWaalsContact O-N 3.14Å |
| 161 | S | 52.5 | Low | 51.4 | Low | 108 Ų | 108 | 142.4 Ų | 142.4 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 0.2 | -171.1 | -169.1 | 0 | 0 | 0 | 0 | 116 | ||
| 162 | M | 55.5 | Low | 51.1 | Low | 143 Ų | 143 | 137.4 Ų | 137.4 | 70% | 0.704 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | 11.8 | -173.8 | 62.3 | -171.3 | -177.5 | 0 | 0 | 115.3 | M159 Y160 | M159-M162 HydrophobicContact CB-CE 4.03Å; M159-M162 HydrophobicContact CE-CE 4Å; M159-M162 HydrophobicContact CG-CE 4.01Å; M159-M162 HydrophobicContact SD-CE 3.62Å; Y160-M162 VanDerWaalsContact C-N 3.25Å; Y160-M162 PolarHBondContact O-N 3.09Å; Y160-M162 VanDerWaalsContact O-N 3.14Å |
| 163 | M | 53.5 | Low | 50.9 | Low | 173 Ų | 173 | 137.8 Ų | 137.8 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -110.5 | 45.9 | 170.7 | -165.3 | 68.8 | 93.6 | 0 | 0 | 111.2 | ||
| 164 | N | 50.9 | Low | 50.1 | Low | 153 Ų | 153 | 137.6 Ų | 137.6 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -132.8 | 16.6 | -175.1 | -139.3 | 111.9 | 0 | 0 | 0 | 113.6 | ||||
| 165 | G | 52.8 | Low | 49.4 | Very low | 74 Ų | 74 | 140.7 Ų | 140.7 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -117.7 | 6.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 166 | L | 53.4 | Low | 48.5 | Very low | 167 Ų | 167 | 144 Ų | 144 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -129.8 | 113.7 | 173.5 | -67.3 | 174.8 | 0 | 0 | 0 | 108.2 | ||
| 167 | G | 49.1 | Very low | 47.6 | Very low | 78 Ų | 78 | 146.9 Ų | 146.9 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -83.4 | 129.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 168 | F | 41.3 | Very low | 47.1 | Very low | 184 Ų | 184 | 147.5 Ų | 147.5 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | -144.7 | 114.9 | 164.7 | -143.3 | -94 | 0 | 0 | 0 | 110.2 | H170 | F168-H170 HydrophobicContact CD1-CB 3.98Å; F168-H170 HydrophobicContact CE1-CB 4.27Å; F168-H170 PolarHBondContact O-N 3.47Å | ||
| 169 | N | 50.9 | Low | 46.4 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -81.4 | 93.6 | 172.5 | -73.3 | -61.5 | 0 | 0 | 0 | 108.6 | ||||
| 170 | H | 39.1 | Very low | 45.9 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 65% | 0.648 | 79% | 0.792 | S | S | * | * | trans | -150 | 110.4 | 165.5 | -159 | -76.8 | 0 | 0 | 0 | 111.6 | F168 | F168-H170 HydrophobicContact CD1-CB 3.98Å; F168-H170 HydrophobicContact CE1-CB 4.27Å; F168-H170 PolarHBondContact O-N 3.47Å | ||
| 171 | I | 54 | Low | 45 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 123.4 | 167 | -61.2 | 173.2 | 0 | 0 | 0 | 107.2 | ||
| 172 | P | 49 | Very low | 44.2 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 63% | 0.63 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 132.2 | 163.8 | -4.1 | 23.4 | 0 | 0 | 0 | 109.8 | A174 | P172-A174 PolarHBondContact O-N 2.98Š|
| 173 | E | 44.9 | Very low | 43.2 | Very low | 188 Ų | 188 | 135.7 Ų | 135.7 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 119.7 | 176.9 | -161.8 | 72.4 | -170.7 | 0 | 0 | 111.9 | ||
| 174 | A | 36.3 | Very low | 42.5 | Very low | 75 Ų | 75 | 136.3 Ų | 136.3 | 62% | 0.62 | 81% | 0.806 | S | S | * | * | trans | -106.1 | 87.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.1 | P172 | P172-A174 PolarHBondContact O-N 2.98Š| ||
| 175 | Y | 40.8 | Very low | 41.8 | Very low | 201 Ų | 201 | 134.5 Ų | 134.5 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | 20.8 | 109.3 | 160 | 53 | -87.1 | 0 | 0 | 0 | 117.7 | Y177 | Y175-Y177 PolarHBondContact O-N 2.81Š| ||
| 176 | N | 37.3 | Very low | 41.2 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -60.8 | 125.9 | 166.7 | -166.6 | -62 | 0 | 0 | 0 | 110.4 | ||||
| 177 | Y | 38.3 | Very low | 41.1 | Very low | 216 Ų | 216 | 133.4 Ų | 133.4 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -134.1 | 131.6 | 166.8 | -146.8 | -91.4 | 0 | 0 | 0 | 110.5 | Y175 G179 | Y175-Y177 PolarHBondContact O-N 2.81Å; Y177-G179 PolarHBondContact O-N 3.22Å | ||
| 178 | Q | 39.4 | Very low | 41 | Very low | 184 Ų | 184 | 135.7 Ų | 135.7 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -84.9 | 112.8 | -160.2 | -167.2 | 163.5 | -90.9 | 0 | 0 | 112.1 | ||||
| 179 | G | 32.3 | Very low | 40.8 | Very low | 77 Ų | 77 | 134.6 Ų | 134.6 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -128.2 | 127.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y177 | Y177-G179 PolarHBondContact O-N 3.22Š| ||
| 180 | S | 39.1 | Very low | 40 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | -111.2 | 143 | -173.5 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 181 | G | 34.5 | Very low | 40.1 | Very low | 73 Ų | 73 | 133 Ų | 133 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | 134.4 | 90.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 182 | G | 35.4 | Very low | 39.3 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | 73.9 | 158.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 183 | G | 35.9 | Very low | 38.9 | Very low | 69 Ų | 69 | 134.5 Ų | 134.5 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | cis | 169.6 | 157.9 | -7.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 184 | L | 38.9 | Very low | 38.7 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 97% | 0.969 | 81% | 0.812 | S | S | * | * | trans | 78.7 | 142.5 | 175.1 | -50.2 | -179.5 | 0 | 0 | 0 | 118.2 | ||||
| 185 | S | 35.3 | Very low | 38.8 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -94.6 | -177.1 | 179.9 | 54.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 186 | C | 39.2 | Very low | 38.5 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 75% | 0.75 | 82% | 0.816 | S | S | * | * | cis | -158.4 | 172.9 | 27.7 | 60.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 187 | P | 51.6 | Low | 38.6 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 161.3 | -170.2 | 37.3 | -35.3 | 0 | 0 | 0 | 114.9 | ||
| 188 | P | 48.6 | Very low | 38.4 | Very low | 125 Ų | 125 | 121.2 Ų | 121.2 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 146.5 | 167.1 | 33.4 | -33.7 | 0 | 0 | 0 | 112.2 | ||
| 189 | N | 35.6 | Very low | 38.8 | Very low | 161 Ų | 161 | 120 Ų | 120 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 151.2 | -176.2 | -88.8 | -21.5 | 0 | 0 | 0 | 114.6 | ||
| 190 | S | 34.9 | Very low | 39.1 | Very low | 103 Ų | 103 | 123.6 Ų | 123.6 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 149.2 | 158.6 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 191 | L | 41.3 | Very low | 38.9 | Very low | 176 Ų | 176 | 125 Ų | 125 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -131.3 | 140.3 | 158 | -75 | 177 | 0 | 0 | 0 | 108.8 | ||||
| 192 | S | 37.3 | Very low | 38.7 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -117.4 | 140.7 | -169.1 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 193 | L | 40.5 | Very low | 38.9 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | -168.9 | 129.8 | 168.5 | -131.9 | 73.4 | 0 | 0 | 0 | 105.7 | ||||
| 194 | D | 40.3 | Very low | 38.8 | Very low | 150 Ų | 150 | 134 Ų | 134 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | cis | -151.2 | 167.1 | -10.1 | -179.5 | -149.9 | 0 | 0 | 0 | 108.3 | ||||
| 195 | S | 38.5 | Very low | 38.6 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -101.6 | 132.1 | -178.6 | -62.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 196 | G | 34.3 | Very low | 38.5 | Very low | 68 Ų | 68 | 128.8 Ų | 128.8 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -178.8 | 119.7 | 164 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 197 | I | 40.3 | Very low | 38.4 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | 54.6 | 112.3 | 151 | -44.1 | 174.7 | 0 | 0 | 0 | 115.4 | M199 | I197-M199 HydrophobicContact CG2-CE 4.26Š| ||
| 198 | G | 33.1 | Very low | 37.7 | Very low | 60 Ų | 60 | 133 Ų | 133 | 62% | 0.619 | 80% | 0.803 | S | S | * | * | cis | 100.6 | 117.2 | 24.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 199 | M | 46.8 | Very low | 37.1 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 178.4 | 112 | 146.8 | -101 | 169.9 | -76.8 | 0 | 0 | 113.8 | I197 | I197-M199 HydrophobicContact CG2-CE 4.26Š| ||
| 200 | M | 39.5 | Very low | 37.1 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | 21.5 | 152.6 | 144.4 | 67.5 | -161.6 | 171 | 0 | 0 | 125.2 | ||||
| 201 | N | 35.3 | Very low | 37.3 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | 64.8 | 134.4 | 166.3 | -72.8 | -6.3 | 0 | 0 | 0 | 118.2 | ||||
| 202 | G | 30 | Very low | 37 | Very low | 63 Ų | 63 | 130.9 Ų | 130.9 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | cis | 113.1 | 113.6 | -12.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 203 | H | 38.8 | Very low | 37 | Very low | 193 Ų | 193 | 133.7 Ų | 133.7 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | trans | -160.9 | 150 | 145.4 | -126.6 | -86.6 | 0 | 0 | 0 | 110.9 | ||||
| 204 | L | 35.1 | Very low | 36.7 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -111.4 | 170.9 | 175.8 | -92.7 | 83.9 | 0 | 0 | 0 | 111.8 | ||||
| 205 | A | 34.7 | Very low | 36.3 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | 95.3 | 137.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 206 | G | 33 | Very low | 36.2 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | 155.8 | 74.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 207 | N | 36.5 | Very low | 36.3 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -120 | 128.9 | -175.8 | 172.4 | 95 | 0 | 0 | 0 | 111.1 | ||||
| 208 | M | 37.2 | Very low | 36.1 | Very low | 158 Ų | 158 | 135 Ų | 135 | 78% | 0.778 | 83% | 0.826 | S | S | * | * | 177.2 | 144.3 | 127.9 | 63.1 | -176.7 | -151.5 | 0 | 0 | 113.9 | |||||
| 209 | D | 37 | Very low | 36.1 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 81% | 0.813 | 84% | 0.836 | S | S | * | * | trans | 42.1 | 133.4 | 137.2 | -50.1 | -26.4 | 0 | 0 | 0 | 123.2 | ||||
| 210 | G | 35.1 | Very low | 35.7 | Very low | 83 Ų | 83 | 137.5 Ų | 137.5 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | trans | 169.1 | 106.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 211 | M | 38.8 | Very low | 35.6 | Very low | 205 Ų | 205 | 138.2 Ų | 138.2 | 100% | 1.01 | 84% | 0.838 | S | S | * | * | trans | -91.9 | 138.9 | 174.8 | -68.1 | 175.1 | 176.1 | 0 | 0 | 111.5 | ||||
| 212 | G | 35.9 | Very low | 35.4 | Very low | 81 Ų | 81 | 135.2 Ų | 135.2 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | trans | -161.7 | 123.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 213 | L | 35.7 | Very low | 35.5 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 88% | 0.88 | 83% | 0.834 | S | S | * | * | trans | -79.8 | 161.1 | -169.2 | -67 | 163.9 | 0 | 0 | 0 | 115.4 | ||||
| 214 | S | 35.7 | Very low | 35.3 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | trans | 74 | 128.1 | 145.8 | -66.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 215 | G | 30.8 | Very low | 35.3 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | trans | 108.2 | 101.2 | 140.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 216 | H | 36.6 | Very low | 35.3 | Very low | 204 Ų | 204 | 128.2 Ų | 128.2 | 94% | 0.944 | 81% | 0.809 | S | S | * | * | trans | -120.2 | 102.5 | 166.5 | -57.1 | -28.4 | 0 | 0 | 0 | 109.2 | ||||
| 217 | S | 36.3 | Very low | 35.7 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -95.8 | 156.3 | 178.3 | 46.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 218 | M | 36.7 | Very low | 35.6 | Very low | 191 Ų | 191 | 131.1 Ų | 131.1 | 94% | 0.941 | 81% | 0.807 | S | S | * | * | trans | -66.1 | 129.9 | 179.3 | -79.1 | -77 | -174.6 | 0 | 0 | 112.5 | H220 | M218-H220 PolarHBondContact O-N 3.29Š| ||
| 219 | S | 32 | Very low | 35.8 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -93.7 | 83.9 | 171.6 | -66.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 220 | H | 38.8 | Very low | 35.9 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 69% | 0.694 | 81% | 0.814 | S | S | * | * | trans | -87.6 | 129.6 | 154 | 149.6 | -85.9 | 0 | 0 | 0 | 108.5 | M218 S222 | M218-H220 PolarHBondContact O-N 3.29Å; H220-S222 PolarHBondContact NE2-N 3.14Å | ||
| 221 | L | 37.2 | Very low | 35.9 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | -145.2 | 94.3 | 168.2 | -100 | 161.9 | 0 | 0 | 0 | 111.2 | ||||
| 222 | S | 31.7 | Very low | 35.8 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | -106.1 | 142.2 | 149.5 | -179 | 0 | 0 | 0 | 0 | 107.9 | H220 | H220-S222 PolarHBondContact NE2-N 3.14Š| ||
| 223 | G | 32.6 | Very low | 35.7 | Very low | 70 Ų | 70 | 132.5 Ų | 132.5 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | 148.9 | 95.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 224 | N | 33.9 | Very low | 35.9 | Very low | 148 Ų | 148 | 131 Ų | 131 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -72.7 | 142.8 | 165.8 | 150.1 | 89.2 | 0 | 0 | 0 | 111.9 | ||||
| 225 | S | 35.6 | Very low | 35.6 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | 172.8 | 136.4 | 135.3 | -78.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 226 | G | 35 | Very low | 35.9 | Very low | 59 Ų | 59 | 131.6 Ų | 131.6 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | trans | 75.7 | 163.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 227 | H | 40.3 | Very low | 35.8 | Very low | 184 Ų | 184 | 128.8 Ų | 128.8 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | cis | -168.9 | 164.8 | -6.2 | -85.4 | -52.5 | 0 | 0 | 0 | 107.4 | ||||
| 228 | S | 34.8 | Very low | 35.7 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | cis | -166.5 | 156.8 | -11.3 | -98.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 229 | Y | 41.1 | Very low | 35.5 | Very low | 232 Ų | 232 | 123.6 Ų | 123.6 | 91% | 0.91 | 79% | 0.787 | S | S | * | * | trans | -154.4 | 161.3 | 167.7 | 167 | -125.4 | 0 | 0 | 0 | 109.7 | ||||
| 230 | M | 40.5 | Very low | 35.8 | Very low | 168 Ų | 168 | 124.6 Ų | 124.6 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | trans | -117.8 | 159.2 | -154 | -55.6 | 175.1 | 70.2 | 0 | 0 | 114.7 | ||||
| 231 | G | 33.9 | Very low | 35.8 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | 165.1 | 104.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 232 | S | 36.3 | Very low | 36.5 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -59.6 | 156.8 | 169.1 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 233 | C | 34.8 | Very low | 37.1 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | -166.9 | 164.5 | 55.5 | 53.7 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 234 | T | 38.8 | Very low | 37.5 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | 46 | 119.9 | 153.8 | 49.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 235 | A | 31 | Very low | 37.7 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -109.7 | 158.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 236 | S | 35.6 | Very low | 37.9 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | 166.5 | 142.1 | 134.8 | -76.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 237 | T | 34.8 | Very low | 38.3 | Very low | 144 Ų | 144 | 137 Ų | 137 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | 51.8 | 137.3 | 154.4 | 53.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 238 | G | 33.8 | Very low | 38.2 | Very low | 69 Ų | 69 | 133.1 Ų | 133.1 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | cis | 115.8 | 102.8 | 3.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 239 | S | 33.8 | Very low | 38.6 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -170.7 | 159.7 | 167.2 | -79.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 240 | D | 38.1 | Very low | 39.2 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | -98.4 | 165.6 | -170.9 | -76.6 | -92.8 | 0 | 0 | 0 | 115.6 | ||||
| 241 | Y | 38.5 | Very low | 39.1 | Very low | 208 Ų | 208 | 127.9 Ų | 127.9 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | 5.6 | 148.2 | 151.7 | -70.6 | -74.5 | 0 | 0 | 0 | 121 | ||||
| 242 | P | 51.6 | Low | 39.5 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | cis | -148.4 | 175.9 | 48.5 | 41.7 | -21.1 | 0 | 0 | 0 | 120.5 | ||||
| 243 | H | 44.7 | Very low | 39.6 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 65% | 0.653 | 79% | 0.794 | S | S | * | * | trans | -25 | 139.9 | 165.9 | -152.6 | -78.6 | 0 | 0 | 0 | 119 | D245 | H243-D245 IonicContact CE1-OD2 3.33Å; H243-D245 PolarHBondContact CE1-OD2 3.42Å; H243-D245 IonicContact ND1-OD2 3.72Å | ||
| 244 | H | 40.7 | Very low | 39.7 | Very low | 184 Ų | 184 | 131.8 Ų | 131.8 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | trans | -169.1 | 139.8 | 138.5 | -107.5 | -66.9 | 0 | 0 | 0 | 113.3 | ||||
| 245 | D | 37.8 | Very low | 39.4 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -77.5 | 149 | 170.6 | -46.7 | -111.6 | 0 | 0 | 0 | 112.5 | H243 | H243-D245 IonicContact CE1-OD2 3.33Å; H243-D245 PolarHBondContact CE1-OD2 3.42Å; H243-D245 IonicContact ND1-OD2 3.72Å | ||
| 246 | N | 40.8 | Very low | 39.5 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | -172.1 | 167.9 | 124.3 | -154.1 | 0.6 | 0 | 0 | 0 | 112.3 | |||||
| 247 | S | 43.6 | Very low | 39.6 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -97.9 | 148 | 173.8 | -55.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 248 | A | 36.4 | Very low | 39.7 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -178.3 | 149.2 | 139.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 249 | S | 43.9 | Very low | 39.8 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -99 | 149.7 | 166.4 | -53.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 250 | P | 52.9 | Low | 40.5 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -98.7 | 154.7 | 171.9 | 36.5 | -32.9 | 0 | 0 | 0 | 114.2 | ||||
| 251 | L | 39.1 | Very low | 40.4 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -146.7 | 168.2 | 169.4 | -60.9 | 174.4 | 0 | 0 | 0 | 106.8 | ||||
| 252 | L | 43.3 | Very low | 40.7 | Very low | 147 Ų | 147 | 130 Ų | 130 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | cis | -140.4 | 178.7 | 12.5 | -71.2 | 161.2 | 0 | 0 | 0 | 109.1 | ||||
| 253 | T | 37.3 | Very low | 40.1 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | trans | 76.5 | 152 | 147.8 | -117 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 254 | S | 37.5 | Very low | 39.7 | Very low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | cis | -158.8 | 164.3 | -5.6 | 50.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 255 | G | 32.8 | Very low | 39.5 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | cis | 141.9 | 120.6 | -5.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 256 | G | 32.2 | Very low | 39.6 | Very low | 76 Ų | 76 | 129.3 Ų | 129.3 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | 144.8 | 172.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 257 | V | 37.7 | Very low | 39.4 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | cis | -171.8 | 158.2 | -40.5 | 60.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 258 | M | 38.3 | Very low | 39.2 | Very low | 169 Ų | 169 | 126.3 Ų | 126.3 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | trans | 91.3 | 129.7 | 174.2 | -44.5 | -52.4 | 174.6 | 0 | 0 | 120.2 | ||||
| 259 | E | 35.3 | Very low | 39.4 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -84.1 | 172.5 | 163.5 | -166.9 | 49.3 | -131.4 | 0 | 0 | 107.9 | H261 | E259-H261 PolarHBondContact OE1-N 3.4Å; E259-H261 VanDerWaalsContact OE1-N 3.1Å; E259-H261 IonicContact OE1-ND1 3.87Å | ||
| 260 | P | 47.3 | Very low | 39 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | cis | -146 | 162.6 | 26.7 | 43.9 | -23.4 | 0 | 0 | 0 | 121.3 | ||||
| 261 | H | 35.8 | Very low | 38.3 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | trans | 55.5 | 140.8 | 145.5 | -65.8 | -32.2 | 0 | 0 | 0 | 123.6 | E259 | E259-H261 PolarHBondContact OE1-N 3.4Å; E259-H261 VanDerWaalsContact OE1-N 3.1Å; E259-H261 IonicContact OE1-ND1 3.87Å | ||
| 262 | P | 45.2 | Very low | 38.1 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -100.5 | 165.7 | 179.4 | 40 | -36.3 | 0 | 0 | 0 | 115.5 | ||||
| 263 | V | 40 | Very low | 37.8 | Very low | 137 Ų | 137 | 126.3 Ų | 126.3 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | -130.1 | 126.7 | 177 | 176.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 264 | Y | 36.5 | Very low | 38 | Very low | 212 Ų | 212 | 124.3 Ų | 124.3 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | trans | 21.9 | 119.3 | 155 | -103.9 | -101.7 | 0 | 0 | 0 | 121 | ||||
| 265 | S | 36.5 | Very low | 39.2 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | 179.9 | 150.1 | 99.5 | -77 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 266 | S | 38.7 | Very low | 40 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -66.1 | 156.5 | -179.8 | -51.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 267 | S | 37.9 | Very low | 40.5 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | 175.9 | 158.1 | 68.9 | 39 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 268 | A | 38.1 | Very low | 40.6 | Very low | 88 Ų | 88 | 127.5 Ų | 127.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | -158.3 | 165.6 | -14.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 269 | S | 41 | Very low | 40.6 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | 12 | 140.9 | 152.1 | -52 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 270 | A | 36.5 | Very low | 40.7 | Very low | 88 Ų | 88 | 126 Ų | 126 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | -168.3 | -168.5 | -8.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 271 | W | 36.8 | Very low | 40 | Very low | 245 Ų | 245 | 128.3 Ų | 128.3 | 93% | 0.928 | 79% | 0.787 | S | S | * | * | cis | -154.2 | -178.6 | 7.2 | 47.3 | -77.2 | 0 | 0 | 0 | 108.7 | ||||
| 272 | A | 36.1 | Very low | 39.8 | Very low | 80 Ų | 80 | 124.5 Ų | 124.5 | 66% | 0.661 | 79% | 0.792 | S | S | * | * | trans | -133.6 | 144.3 | -166.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 273 | S | 36.6 | Very low | 39.6 | Very low | 114 Ų | 114 | 123.2 Ų | 123.2 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | 43.6 | 102 | 139.5 | -56.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 274 | A | 40.2 | Very low | 39.6 | Very low | 95 Ų | 95 | 122.1 Ų | 122.1 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | 69.9 | -170.9 | 120.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 275 | P | 63 | Low | 39.6 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | -130.5 | 174 | -115.5 | 39 | -19.3 | 0 | 0 | 0 | 116.4 | |||||
| 276 | P | 50.6 | Low | 39.9 | Very low | 133 Ų | 133 | 123 Ų | 123 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -126.8 | 174.2 | 156.5 | 39.1 | -27.5 | 0 | 0 | 0 | 113.5 | ||||
| 277 | A | 42.9 | Very low | 39.7 | Very low | 91 Ų | 91 | 125.7 Ų | 125.7 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -146.4 | 162.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 278 | S | 38.8 | Very low | 39.6 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | 87.3 | 154.5 | 161.7 | 82.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 279 | L | 38.8 | Very low | 39.8 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | 84.9 | 78.8 | 159.2 | -67.3 | 162.9 | 0 | 0 | 0 | 122.2 | ||||
| 280 | N | 36.4 | Very low | 40.6 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | 79.1 | 158.3 | 111.3 | -161.2 | 38.1 | 0 | 0 | 0 | 122.8 | |||||
| 281 | N | 33.9 | Very low | 40.5 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | 77.8 | 144.1 | 162.5 | -90.3 | -1.4 | 0 | 0 | 0 | 120.8 | ||||
| 282 | G | 30.5 | Very low | 40.7 | Very low | 81 Ų | 81 | 125.8 Ų | 125.8 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | trans | 119.2 | 90.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 283 | A | 42.6 | Very low | 41.9 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | -97.2 | 152.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 284 | S | 38.3 | Very low | 41.5 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -140.2 | 146.8 | 171.7 | -75.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 285 | Y | 37.1 | Very low | 41.4 | Very low | 194 Ų | 194 | 131.6 Ų | 131.6 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | trans | -110.9 | -170.6 | -157.1 | 37.7 | -105.9 | 0 | 0 | 0 | 114.2 | ||||
| 286 | I | 42.9 | Very low | 41.2 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | 84.7 | 142.6 | 169.9 | -85.9 | 171.8 | 0 | 0 | 0 | 114.1 | ||||
| 287 | K | 34 | Very low | 40.3 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | cis | 178.1 | 147.8 | -3.6 | 175 | 175.7 | -173.9 | -175.3 | 0 | 107.8 | ||||
| 288 | Q | 37.5 | Very low | 39.9 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | cis | -151.7 | 151.5 | -5.6 | -123.8 | 175.7 | -75.8 | 0 | 0 | 107.8 | ||||
| 289 | Q | 42.3 | Very low | 39.8 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | 52.7 | 157.4 | 103.4 | -76.3 | -168.2 | -17.1 | 0 | 0 | 119.7 | |||||
| 290 | P | 57.9 | Low | 39.4 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | cis | -143.3 | -179.8 | -43.7 | 38.4 | -19.5 | 0 | 0 | 0 | 114 | ||||
| 291 | L | 34 | Very low | 39.4 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | trans | 147.6 | 161.9 | 136.1 | -78.8 | 176.5 | 0 | 0 | 0 | 113.8 | ||||
| 292 | S | 39.5 | Very low | 39.8 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -147.9 | -165.4 | -175.1 | -55.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 293 | P | 61.1 | Low | 40.7 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | -125 | 156.5 | -66.6 | 34.8 | -20.7 | 0 | 0 | 0 | 112.8 | |||||
| 294 | C | 29.6 | Very low | 40.3 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 91% | 0.912 | 76% | 0.763 | S | S | * | * | trans | -157.9 | 162.2 | 163 | 58.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 295 | N | 37 | Very low | 40.6 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -161.3 | 170.6 | 179.1 | -163.4 | 32.8 | 0 | 0 | 0 | 105.2 | ||||
| 296 | P | 60.3 | Low | 41.4 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -120.4 | -177.8 | -31.3 | 39 | -25.3 | 0 | 0 | 0 | 113.1 | ||||
| 297 | G | 30.8 | Very low | 41.3 | Very low | 69 Ų | 69 | 127.7 Ų | 127.7 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | 114.8 | 159.6 | 137 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 298 | A | 35.4 | Very low | 41.3 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | 66.6 | 144 | 166.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 299 | N | 35.3 | Very low | 41 | Very low | 149 Ų | 149 | 128.1 Ų | 128.1 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | cis | -158.3 | 164.3 | -20.1 | -143 | -16.3 | 0 | 0 | 0 | 112.2 | ||||
| 300 | S | 31.3 | Very low | 41.2 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | trans | 32.9 | 128.7 | 151.4 | 62.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 301 | L | 36.3 | Very low | 40 | Very low | 164 Ų | 164 | 129.4 Ų | 129.4 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | -167.2 | 142.1 | 107.3 | -100.8 | 167.1 | 0 | 0 | 0 | 112.7 | |||||
| 302 | Q | 41.6 | Very low | 40.2 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -139.3 | 144.3 | 173.2 | -85.1 | -81.1 | -59.6 | 0 | 0 | 107.1 | ||||
| 303 | P | 50.8 | Low | 39.8 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | -140.2 | 172.7 | 103.5 | 15.6 | 7.8 | 0 | 0 | 0 | 112.6 | |||||
| 304 | S | 32.8 | Very low | 38.4 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | cis | -161.3 | 150.2 | -3.1 | 37.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 305 | L | 44.3 | Very low | 38.9 | Very low | 149 Ų | 149 | 131 Ų | 131 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | trans | -93.9 | 169.3 | 162.7 | -71.6 | 170 | 0 | 0 | 0 | 109.6 | T307 | L305-T307 HydrophobicContact CB-CG2 4.36Å; L305-T307 HydrophobicContact CD1-CG2 4.41Å; L305-T307 HydrophobicContact CD2-CG2 4.14Å | ||
| 306 | P | 54.2 | Low | 38.9 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | -126.2 | 165.6 | 50.7 | 16 | 9.8 | 0 | 0 | 0 | 114 | |||||
| 307 | T | 41.6 | Very low | 37.6 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 64% | 0.644 | 74% | 0.742 | S | S | * | * | cis | 81.4 | 112.3 | 23.6 | 73.4 | 0 | 0 | 0 | 0 | 118.2 | L305 | L305-T307 HydrophobicContact CB-CG2 4.36Å; L305-T307 HydrophobicContact CD1-CG2 4.41Å; L305-T307 HydrophobicContact CD2-CG2 4.14Å | ||
| 308 | H | 33.5 | Very low | 37.6 | Very low | 196 Ų | 196 | 135.9 Ų | 135.9 | 91% | 0.907 | 74% | 0.743 | S | S | * | * | trans | -168.4 | 166.9 | 151.6 | -121.5 | -93.1 | 0 | 0 | 0 | 109.5 | ||||
| 309 | S | 32.3 | Very low | 37.4 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | -154 | 167.5 | -69.2 | -165.8 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 310 | L | 45.3 | Very low | 37.3 | Very low | 160 Ų | 160 | 136 Ų | 136 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | trans | -136.8 | 124.5 | -174.3 | -164.7 | 161.1 | 0 | 0 | 0 | 111.6 | ||||
| 311 | D | 33.5 | Very low | 37.3 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 65% | 0.652 | 74% | 0.74 | S | S | * | * | trans | -142.4 | 128.9 | 176 | -149 | -118.7 | 0 | 0 | 0 | 107.2 | ||||
| 312 | Q | 36.9 | Very low | 37.2 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 73% | 0.729 | 73% | 0.733 | S | S | * | * | 66.6 | 142.2 | 80.4 | -108.3 | -177.4 | 137.1 | 0 | 0 | 112.5 | |||||
| 313 | S | 32 | Very low | 37 | Very low | 80 Ų | 80 | 132.1 Ų | 132.1 | 56% | 0.559 | 73% | 0.732 | S | S | * | * | cis | -164 | 156.9 | 23.4 | -79 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 314 | Y | 32.6 | Very low | 36.3 | Very low | 211 Ų | 211 | 132.8 Ų | 132.8 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | trans | 53.6 | 167.5 | 143 | -79.1 | -59.8 | 0 | 0 | 0 | 121.9 | ||||
| 315 | L | 39.9 | Very low | 36.6 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 60% | 0.602 | 73% | 0.725 | S | S | * | * | cis | -161 | 158.8 | 1.4 | -125.1 | -170.9 | 0 | 0 | 0 | 111.7 | ||||
| 316 | H | 36.3 | Very low | 36.4 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | trans | 61.6 | 164.3 | 149.3 | -81.5 | 156.3 | 0 | 0 | 0 | 122.9 | ||||
| 317 | Q | 33 | Very low | 35.4 | Very low | 140 Ų | 140 | 134 Ų | 134 | 65% | 0.654 | 74% | 0.735 | S | S | * | * | cis | -170.5 | 163.7 | -32.9 | -129.8 | -83.1 | 81.3 | 0 | 0 | 110.2 | ||||
| 318 | N | 29.6 | Very low | 35.1 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | trans | 64.6 | 158.7 | 172.4 | -61.9 | -32.1 | 0 | 0 | 0 | 118.2 | ||||
| 319 | G | 31.1 | Very low | 35.9 | Very low | 56 Ų | 56 | 132 Ų | 132 | 58% | 0.577 | 73% | 0.73 | S | S | * | * | cis | 155 | 117.6 | -15.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 320 | H | 35.1 | Very low | 36.3 | Very low | 196 Ų | 196 | 138.4 Ų | 138.4 | 91% | 0.907 | 74% | 0.737 | S | S | * | * | trans | 64.2 | 158.8 | 174.1 | -55 | -86.4 | 0 | 0 | 0 | 116.2 | ||||
| 321 | S | 30.1 | Very low | 35.8 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | cis | -172.2 | 148.7 | -20.9 | 51.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 322 | T | 33.8 | Very low | 35.9 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | -178.5 | 154.8 | 55.2 | 46.2 | 0 | 0 | 0 | 0 | 109 | |||||
| 323 | T | 38.3 | Very low | 35.7 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | 52.4 | 152 | 159.8 | 25.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 324 | D | 35 | Very low | 35.7 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | cis | -154.4 | 178.7 | 10.2 | -138.6 | -41.3 | 0 | 0 | 0 | 112.8 | ||||
| 325 | L | 40.1 | Very low | 36.1 | Very low | 126 Ų | 126 | 142 Ų | 142 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | trans | 64.3 | 104 | 161 | -95.8 | 63.5 | 0 | 0 | 0 | 122 | ||||
| 326 | Q | 39.2 | Very low | 36.2 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | 67.4 | 132.6 | 129.1 | -64.1 | 173 | -17.9 | 0 | 0 | 122.8 | |||||
| 327 | G | 32.9 | Very low | 36.4 | Very low | 83 Ų | 83 | 139.7 Ų | 139.7 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | 135 | 29.9 | 143.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 328 | I | 36.7 | Very low | 36.7 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -110.9 | 155.6 | -178.3 | -71.4 | 177.2 | 0 | 0 | 0 | 110.6 | ||||
| 329 | P | 49.6 | Very low | 37 | Very low | 96 Ų | 96 | 140.4 Ų | 140.4 | 62% | 0.623 | 78% | 0.784 | S | S | * | * | cis | -127.7 | 174 | 0 | 35.4 | -17.4 | 0 | 0 | 0 | 116.9 | ||||
| 330 | R | 41 | Very low | 37.3 | Very low | 244 Ų | 244 | 144.3 Ų | 144.3 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -75.8 | 131.9 | 157.3 | -169.8 | -173.6 | -157.3 | 143.7 | 0.1 | 110.3 | ||||
| 331 | Y | 35.7 | Very low | 37.4 | Very low | 219 Ų | 219 | 146.5 Ų | 146.5 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -75.6 | 145.9 | 177.2 | -94.9 | -89.1 | 0 | 0 | 0 | 113.5 | ||||
| 332 | H | 35.5 | Very low | 37.8 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | -114 | 132.3 | -179.5 | -149.2 | 102.8 | 0 | 0 | 0 | 109 | Q334 | H332-Q334 PolarHBondContact O-N 3.44Š| ||
| 333 | S | 32.2 | Very low | 38.2 | Very low | 122 Ų | 122 | 149.1 Ų | 149.1 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -83 | 113.3 | -175.2 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 334 | Q | 32.3 | Very low | 38 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -134.7 | 139 | 161 | -67.1 | -170.3 | 7.9 | 0 | 0 | 110.2 | H332 | H332-Q334 PolarHBondContact O-N 3.44Š| ||
| 335 | S | 39.7 | Very low | 38.3 | Very low | 118 Ų | 118 | 152 Ų | 152 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -108.1 | 123.2 | -174.9 | 53.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 336 | P | 43.5 | Very low | 38.3 | Very low | 110 Ų | 110 | 155.2 Ų | 155.2 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | trans | -88 | 147.5 | 176.5 | 34.1 | -33.5 | 0 | 0 | 0 | 112.8 | ||||
| 337 | S | 40.8 | Very low | 38 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -78.1 | 147.4 | 166 | 49 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 338 | M | 37.5 | Very low | 38.3 | Very low | 172 Ų | 172 | 157.1 Ų | 157.1 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | -124.6 | 104.1 | 173.7 | -69.2 | -70.4 | -170.1 | 0 | 0 | 110 | ||||
| 339 | C | 36.7 | Very low | 38.2 | Very low | 123 Ų | 123 | 157 Ų | 157 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -114.8 | 148.9 | 156.4 | -69.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 340 | D | 36.9 | Very low | 37.4 | Very low | 138 Ų | 138 | 156.6 Ų | 156.6 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | 58.3 | 95.3 | 172 | -107 | -68.6 | 0 | 0 | 0 | 118.9 | ||||
| 341 | R | 38.7 | Very low | 37.1 | Very low | 243 Ų | 243 | 153.4 Ų | 153.4 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | -145.4 | 151.6 | 108.8 | -143.6 | 137.9 | -60.9 | 179.3 | 3.3 | 115.1 | |||||
| 342 | K | 37.2 | Very low | 37 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | trans | -82.3 | 167.9 | -176.5 | -158.3 | -176.2 | -177 | -113.7 | 0 | 112 | ||||
| 343 | E | 42.7 | Very low | 37 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 53% | 0.528 | 79% | 0.792 | S | S | . | * | trans | 65.5 | 110.6 | 168.7 | -48 | -54.5 | 162.8 | 0 | 0 | 118.3 | ||||
| 344 | F | 34.3 | Very low | 37.1 | Very low | 202 Ų | 202 | 145.5 Ų | 145.5 | 89% | 0.886 | 79% | 0.787 | S | S | * | * | -159.1 | 115 | 115.1 | -100.4 | -66 | 0 | 0 | 0 | 109.4 | |||||
| 345 | V | 41.3 | Very low | 37.3 | Very low | 112 Ų | 112 | 141 Ų | 141 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | trans | -90.9 | 130.4 | 172.6 | 176 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 346 | F | 40.1 | Very low | 37.4 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -134.1 | 122.4 | 157.3 | -102 | -79.3 | 0 | 0 | 0 | 111.1 | ||||
| 347 | S | 32.7 | Very low | 37 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -76.1 | 143.4 | -178.7 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 348 | F | 38.3 | Very low | 36.9 | Very low | 200 Ų | 200 | 147 Ų | 147 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -112.2 | 103.3 | 173.4 | -162 | -85.1 | 0 | 0 | 0 | 110.3 | ||||
| 349 | N | 35.3 | Very low | 37.4 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -168.4 | 157.2 | 164.4 | -112.1 | -26.9 | 0 | 0 | 0 | 112.9 | ||||
| 350 | A | 33.2 | Very low | 37.2 | Very low | 87 Ų | 87 | 142.4 Ų | 142.4 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | 78.4 | 138.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 351 | M | 34.9 | Very low | 36.9 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | 87.1 | 102.7 | 177.7 | -55 | -171.6 | -64.9 | 0 | 0 | 115.4 | ||||
| 352 | T | 33.9 | Very low | 36.7 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | cis | 87.8 | 120.2 | 24.8 | -136.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 353 | S | 34.8 | Very low | 36.6 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | 63.2 | 151.5 | 168.6 | -48.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 354 | S | 34.2 | Very low | 36.2 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | cis | -137.5 | 131.8 | 6.5 | -67.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 355 | A | 35.9 | Very low | 36.3 | Very low | 83 Ų | 83 | 140.4 Ų | 140.4 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | 67.8 | 106.6 | 75.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 356 | M | 41.6 | Very low | 36.1 | Very low | 187 Ų | 187 | 143.7 Ų | 143.7 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -144.1 | 134.1 | 158.4 | -74.5 | -63.3 | 163.5 | 0 | 0 | 109 | ||||
| 357 | H | 36.6 | Very low | 35.9 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -91.6 | 174.6 | 170.1 | -70.9 | -157 | 0 | 0 | 0 | 108.8 | ||||
| 358 | S | 37.6 | Very low | 36 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | cis | -168.1 | -167.8 | 13.5 | -130.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 359 | P | 49.3 | Very low | 35.9 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | cis | -129.9 | 173.1 | -46.3 | 36.1 | -20 | 0 | 0 | 0 | 113.5 | ||||
| 360 | G | 30.9 | Very low | 35.9 | Very low | 80 Ų | 80 | 140.7 Ų | 140.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | 86.7 | 142.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 361 | N | 31.7 | Very low | 36.1 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | cis | -133.1 | 166.8 | 20.5 | -161.2 | 7.8 | 0 | 0 | 0 | 112.5 | ||||
| 362 | S | 33.7 | Very low | 36.3 | Very low | 94 Ų | 94 | 143.6 Ų | 143.6 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | trans | -84.4 | 141.1 | -173.5 | -170.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 363 | S | 35.3 | Very low | 36.5 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | -153.2 | 133.5 | 156.5 | -168.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 364 | Y | 35.1 | Very low | 36.9 | Very low | 217 Ų | 217 | 146 Ų | 146 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -80.4 | 133.8 | -174.1 | -80.2 | -104.8 | 0 | 0 | 0 | 112 | ||||
| 365 | Y | 36.3 | Very low | 37.6 | Very low | 227 Ų | 227 | 148.2 Ų | 148.2 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -109.8 | 125.1 | 160.5 | -88.9 | -80.5 | 0 | 0 | 0 | 110.7 | H367 | Y365-H367 PolarHBondContact O-N 3.33Š| ||
| 366 | H | 37.3 | Very low | 38.3 | Very low | 181 Ų | 181 | 152 Ų | 152 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -81.3 | 102 | -174.8 | -162.1 | -47.1 | 0 | 0 | 0 | 110.3 | Q368 | H366-Q368 PolarHBondContact O-N 3.42Å; H366-Q368 VanDerWaalsContact O-N 3.14Å | ||
| 367 | H | 35.7 | Very low | 39 | Very low | 158 Ų | 158 | 149 Ų | 149 | 73% | 0.731 | 78% | 0.777 | S | S | * | * | trans | -73.7 | 107 | 174.9 | -166.6 | -24.4 | 0 | 0 | 0 | 109.8 | Y365 | Y365-H367 PolarHBondContact O-N 3.33Š| ||
| 368 | Q | 34.4 | Very low | 39.6 | Very low | 161 Ų | 161 | 146.7 Ų | 146.7 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -77.3 | 121.8 | 167.4 | -165.8 | 166.1 | 23.8 | 0 | 0 | 108.3 | H366 | H366-Q368 PolarHBondContact O-N 3.42Å; H366-Q368 VanDerWaalsContact O-N 3.14Å | ||
| 369 | Q | 35.4 | Very low | 40 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -90.6 | 136.2 | 168.4 | -72.6 | -165.3 | -6.4 | 0 | 0 | 109.3 | ||||
| 370 | V | 37.2 | Very low | 39.9 | Very low | 120 Ų | 120 | 155.1 Ų | 155.1 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -98.9 | 100.4 | 171.9 | 179.7 | 0 | 0 | 0 | 0 | 107.6 | Y372 | V370-Y372 PolarHBondContact O-N 3.32Š| ||
| 371 | S | 36.9 | Very low | 40.4 | Very low | 103 Ų | 103 | 158.9 Ų | 158.9 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | -75.4 | 114.8 | 173.1 | 40.3 | 0 | 0 | 0 | 0 | 110.2 | Q373 | S371-Q373 PolarHBondContact O-N 3.47Š| ||
| 372 | Y | 39.6 | Very low | 40.8 | Very low | 222 Ų | 222 | 158.4 Ų | 158.4 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -71.6 | 119.3 | 164.1 | -83.9 | -96.3 | 0 | 0 | 0 | 108.7 | V370 | V370-Y372 PolarHBondContact O-N 3.32Š| ||
| 373 | Q | 38.3 | Very low | 41.2 | Very low | 159 Ų | 159 | 162 Ų | 162 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | trans | -94.1 | 137 | 169.5 | -81.3 | -72.7 | 14.3 | 0 | 0 | 110.4 | S371 I375 | S371-Q373 PolarHBondContact O-N 3.47Å; Q373-I375 PolarHBondContact O-N 3.1Å | ||
| 374 | D | 41.3 | Very low | 41.6 | Very low | 125 Ų | 125 | 165.3 Ų | 165.3 | 67% | 0.668 | 82% | 0.816 | S | S | * | * | trans | -78.7 | 111.5 | 177.3 | -174.8 | -104.9 | 0 | 0 | 0 | 109.6 | K376 | D374-K376 WeakPolarHBondContact OD1-CE 3.39Å; D374-K376 WeakPolarHBondContact OD1-CG 3.21Å | ||
| 375 | I | 49.6 | Very low | 42 | Very low | 155 Ų | 155 | 162.1 Ų | 162.1 | 80% | 0.795 | 81% | 0.814 | S | S | * | * | trans | -103.4 | 98.1 | -179.8 | -60 | 174 | 0 | 0 | 0 | 108.7 | Q373 | Q373-I375 PolarHBondContact O-N 3.1Š| ||
| 376 | K | 50.8 | Low | 42.4 | Very low | 163 Ų | 163 | 157.7 Ų | 157.7 | 71% | 0.709 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 138.7 | 173.9 | -63 | 174.7 | -176.5 | 171.5 | 0 | 110.2 | D374 C378 | D374-K376 WeakPolarHBondContact OD1-CE 3.39Å; D374-K376 WeakPolarHBondContact OD1-CG 3.21Å; K376-C378 PolarHBondContact O-N 3.33Å |
| 377 | P | 57.2 | Low | 42.7 | Very low | 123 Ų | 123 | 156.1 Ų | 156.1 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 118.1 | 172.3 | 29.5 | -32.5 | 0 | 0 | 0 | 110 | ||
| 378 | C | 47.9 | Very low | 43.3 | Very low | 131 Ų | 131 | 155.9 Ų | 155.9 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 138.5 | 162.9 | -75 | 0 | 0 | 0 | 0 | 109.6 | K376 | K376-C378 PolarHBondContact O-N 3.33Š|
| 379 | V | 47.3 | Very low | 44 | Very low | 138 Ų | 138 | 155.5 Ų | 155.5 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 127.9 | 170.6 | 174.4 | 0 | 0 | 0 | 0 | 108.7 | ||
| 380 | M | 47 | Very low | 44.8 | Very low | 261 Ų | 261 | 154.5 Ų | 154.5 | 100% | 1.286 | 82% | 0.822 | S | S | * | * | trans | -157.9 | 0 | 150.1 | -105.5 | 172.9 | -176.4 | 0 | 0 | 108.1 |
Retrieved 380 of 380 residues in 464.8 ms
(Link to these results)