| 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 | 45.4 | Very low | 38.8 | Very low | 238 Ų | 238 | 137.9 Ų | 137.9 | 100% | 1.172 | 83% | 0.834 | S | S | * | * | 0 | 150.9 | 0 | -81.6 | -164.7 | -167.8 | 0 | 0 | 109 | |||||
| 2 | L | 31.5 | Very low | 38.6 | Very low | 170 Ų | 170 | 146.8 Ų | 146.8 | 89% | 0.89 | 84% | 0.841 | S | S | * | * | trans | 80.7 | 92.1 | -173.3 | -68.8 | 129 | 0 | 0 | 0 | 114.4 | ||||
| 3 | S | 36.8 | Very low | 38.4 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 62% | 0.622 | 83% | 0.834 | S | S | * | * | cis | 107.2 | 91.4 | 38.5 | 76.7 | 0 | 0 | 0 | 0 | 113.2 | R5 | S3-R5 PolarHBondContact O-N 3.27Š| ||
| 4 | V | 41.9 | Very low | 38.4 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 89% | 0.891 | 84% | 0.838 | S | S | * | * | S | Bend | trans | 11.7 | 11.3 | 135.7 | -173 | 0 | 0 | 0 | 0 | 121.8 | ||
| 5 | R | 40.9 | Very low | 38.3 | Very low | 232 Ų | 232 | 143.1 Ų | 143.1 | 88% | 0.875 | 84% | 0.836 | S | S | * | * | trans | -108 | 13.9 | -169.2 | -99.7 | -173.3 | 179 | -175.7 | 0.7 | 118.6 | S3 | S3-R5 PolarHBondContact O-N 3.27Š| ||
| 6 | V | 40.9 | Very low | 38.1 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 77% | 0.77 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -118 | 1.9 | 175.9 | -167.2 | 0 | 0 | 0 | 0 | 113.4 | A8 | V6-A8 PolarHBondContact O-N 3.09Å; V6-A8 VanDerWaalsContact O-N 3.15Å |
| 7 | A | 38.8 | Very low | 37.7 | Very low | 104 Ų | 104 | 155.1 Ų | 155.1 | 86% | 0.86 | 85% | 0.846 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 3.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 8 | A | 37.7 | Very low | 37.4 | Very low | 94 Ų | 94 | 152.4 Ų | 152.4 | 78% | 0.777 | 85% | 0.849 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 1.7 | -172 | 0 | 0 | 0 | 0 | 0 | 115.8 | V6 | V6-A8 PolarHBondContact O-N 3.09Å; V6-A8 VanDerWaalsContact O-N 3.15Å |
| 9 | A | 36.8 | Very low | 37 | Very low | 81 Ų | 81 | 147.8 Ų | 147.8 | 67% | 0.669 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -104.3 | -10.5 | -170 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 10 | V | 38.8 | Very low | 37 | Very low | 135 Ų | 135 | 149.1 Ų | 149.1 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -104.3 | -4.8 | -173.2 | -174 | 0 | 0 | 0 | 0 | 113.6 | R12 | V10-R12 PolarHBondContact O-N 3.08Š|
| 11 | A | 37 | Very low | 36.7 | Very low | 100 Ų | 100 | 148.5 Ų | 148.5 | 83% | 0.826 | 84% | 0.842 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 19.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 12 | R | 36.6 | Very low | 36.1 | Very low | 245 Ų | 245 | 142.4 Ų | 142.4 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | 25.2 | -175.3 | -85 | -168.7 | -166.6 | 175 | 5.4 | 116 | V10 | V10-R12 PolarHBondContact O-N 3.08Š|
| 13 | A | 35.8 | Very low | 36.3 | Very low | 91 Ų | 91 | 143.2 Ų | 143.2 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | trans | -126.8 | 83.4 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 14 | L | 38.4 | Very low | 36.4 | Very low | 168 Ų | 168 | 146.6 Ų | 146.6 | 88% | 0.88 | 83% | 0.83 | S | S | * | * | trans | -139 | 128.6 | 160.7 | -88.2 | 169.7 | 0 | 0 | 0 | 108.5 | ||||
| 15 | P | 36.9 | Very low | 35.9 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | trans | -95.8 | 156.7 | 148.8 | 13.3 | 5.8 | 0 | 0 | 0 | 111.2 | ||||
| 16 | R | 34.8 | Very low | 35.4 | Very low | 239 Ų | 239 | 141 Ų | 141 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -90.2 | 142.5 | -163.1 | -70.9 | 165.7 | 164.9 | 173.8 | -4.4 | 113 | ||||
| 17 | R | 32.4 | Very low | 35.4 | Very low | 251 Ų | 251 | 138.5 Ų | 138.5 | 95% | 0.947 | 82% | 0.824 | S | S | * | * | trans | 40.3 | 122.5 | 140.2 | -75.1 | -176.4 | 172.1 | -178.8 | -2 | 121 | ||||
| 18 | A | 31.6 | Very low | 35.3 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | -172.5 | 141.4 | 123.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 19 | G | 30.3 | Very low | 34.9 | Very low | 64 Ų | 64 | 139.9 Ų | 139.9 | 66% | 0.66 | 82% | 0.822 | S | S | * | * | cis | 151.3 | 124 | 9.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 20 | L | 35.6 | Very low | 34.6 | Very low | 173 Ų | 173 | 146 Ų | 146 | 91% | 0.906 | 83% | 0.834 | S | S | * | * | trans | 59.3 | 126.2 | 161.2 | -68.1 | 135.6 | 0 | 0 | 0 | 119.4 | ||||
| 21 | V | 32.2 | Very low | 34.6 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 84% | 0.836 | 84% | 0.838 | S | S | * | * | 172.1 | 121.5 | 118.2 | 164.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 22 | S | 32.1 | Very low | 34.6 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | trans | 48.9 | 128.5 | 141.9 | -154.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 23 | K | 35.5 | Very low | 34.5 | Very low | 186 Ų | 186 | 140 Ų | 140 | 81% | 0.809 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -68.9 | 144.1 | 162.7 | -74.2 | 170.8 | 170.2 | 175.7 | 0 | 111.1 | ||
| 24 | N | 38.3 | Very low | 34.3 | Very low | 161 Ų | 161 | 146.9 Ų | 146.9 | 86% | 0.861 | 84% | 0.839 | S | S | * | * | trans | 69.2 | 89.3 | 162.9 | -62.1 | -5.6 | 0 | 0 | 0 | 118 | ||||
| 25 | A | 31.4 | Very low | 34.1 | Very low | 90 Ų | 90 | 146 Ų | 146 | 74% | 0.744 | 84% | 0.835 | S | S | * | * | -174.6 | 145.8 | 129.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 26 | L | 32 | Very low | 33.7 | Very low | 170 Ų | 170 | 148.4 Ų | 148.4 | 89% | 0.89 | 84% | 0.84 | S | S | * | * | trans | 79.5 | 95.5 | 173.1 | -46.3 | 168.4 | 0 | 0 | 0 | 113.2 | ||||
| 27 | G | 40.9 | Very low | 33.3 | Very low | 75 Ų | 75 | 146.1 Ų | 146.1 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | cis | 81.8 | 51.7 | 26.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 28 | S | 35.3 | Very low | 33.3 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 83% | 0.826 | S | S | * | * | trans | 167.8 | 68.2 | 151.5 | 55.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 29 | S | 30.3 | Very low | 33.2 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -170.5 | 36 | 166.5 | 39.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 30 | F | 30.6 | Very low | 33.1 | Very low | 210 Ų | 210 | 142.2 Ų | 142.2 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -117.5 | 56 | 172 | -92.7 | -84.3 | 0 | 0 | 0 | 110.9 | ||||
| 31 | I | 37.4 | Very low | 32.9 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -139.2 | 94.6 | 159.1 | -57.4 | 178.7 | 0 | 0 | 0 | 105.5 | ||
| 32 | G | 38.2 | Very low | 32.7 | Very low | 79 Ų | 79 | 146.4 Ų | 146.4 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | S | Bend | trans | 155 | 29.8 | -180 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 33 | A | 33.9 | Very low | 32.8 | Very low | 100 Ų | 100 | 148.4 Ų | 148.4 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | trans | -166.8 | 61.6 | 165 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 34 | R | 32.6 | Very low | 32.9 | Very low | 236 Ų | 236 | 147.1 Ų | 147.1 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | trans | -136.2 | 129.3 | 163 | -111.1 | -178.6 | 162 | 179.3 | -5.8 | 108.3 | ||||
| 35 | N | 32.9 | Very low | 32.9 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | trans | 86.4 | 66.7 | 173.7 | -54.5 | -14.4 | 0 | 0 | 0 | 117.2 | ||||
| 36 | L | 29.6 | Very low | 33.3 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 93% | 0.927 | 81% | 0.81 | S | S | * | * | trans | -136.5 | 63.8 | 139.4 | -76.1 | 174 | 0 | 0 | 0 | 109 | A38 | L36-A38 PolarHBondContact O-N 3.49Å; L36-A38 VanDerWaalsContact O-N 3.11Å | ||
| 37 | H | 27.1 | Very low | 33.8 | Very low | 190 Ų | 190 | 142.1 Ų | 142.1 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | -71.4 | 93.7 | 147.2 | -95.9 | -64.8 | 0 | 0 | 0 | 105.4 | S39 | H37-S39 PolarHBondContact O-N 2.93Š| ||
| 38 | A | 30.6 | Very low | 34.3 | Very low | 82 Ų | 82 | 144.8 Ų | 144.8 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -61.9 | 93.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | L36 N40 | L36-A38 PolarHBondContact O-N 3.49Å; L36-A38 VanDerWaalsContact O-N 3.11Å; A38-N40 VanDerWaalsContact C-N 3.26Å; A38-N40 PolarHBondContact O-N 3.4Å | ||
| 39 | S | 30.2 | Very low | 35 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -54.7 | 102.2 | 155.5 | 44.8 | 0 | 0 | 0 | 0 | 105.7 | H37 M41 | H37-S39 PolarHBondContact O-N 2.93Å; S39-M41 PolarHBondContact O-N 3.43Å | ||
| 40 | N | 29.3 | Very low | 36.1 | Very low | 157 Ų | 157 | 140 Ų | 140 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | trans | -58 | 90.6 | 156.8 | -86.9 | -22.7 | 0 | 0 | 0 | 105.5 | A38 R42 | A38-N40 VanDerWaalsContact C-N 3.26Å; A38-N40 PolarHBondContact O-N 3.4Å; N40-R42 PolarHBondContact O-N 3.05Å | ||
| 41 | M | 30.4 | Very low | 37.5 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 79% | 0.788 | 73% | 0.727 | S | S | * | * | trans | -54.7 | 96.4 | 151.2 | -85.7 | -176.4 | 79.9 | 0 | 0 | 104.3 | S39 L43 | S39-M41 PolarHBondContact O-N 3.43Å; M41-L43 PolarHBondContact O-N 2.85Å | ||
| 42 | R | 28.8 | Very low | 38.9 | Very low | 239 Ų | 239 | 128.2 Ų | 128.2 | 90% | 0.902 | 71% | 0.707 | S | S | * | * | trans | -57.2 | 89.6 | 149.8 | -106.1 | 178.7 | 174.2 | 176.6 | -1 | 104.1 | N40 Q44 | N40-R42 PolarHBondContact O-N 3.05Å; R42-Q44 PolarHBondContact O-N 3.11Å | ||
| 43 | L | 34.5 | Very low | 40.4 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 80% | 0.801 | 69% | 0.689 | S | S | * | * | trans | -46.2 | 106.4 | 152 | -93.6 | 144.5 | 0 | 0 | 0 | 104.4 | M41 K45 | M41-L43 PolarHBondContact O-N 2.85Å; L43-K45 PolarHBondContact O-N 3.42Å | ||
| 44 | Q | 37.2 | Very low | 42.1 | Very low | 159 Ų | 159 | 124.4 Ų | 124.4 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | trans | -46.1 | 140.8 | 166.8 | -90.2 | 172.7 | -23.5 | 0 | 0 | 107 | R42 T46 | R42-Q44 PolarHBondContact O-N 3.11Å; Q44-T46 PolarHBondContact O-N 2.98Å; Q44-T46 PolarHBondContact O-OG1 3.5Å | ||
| 45 | K | 36.9 | Very low | 44 | Very low | 218 Ų | 218 | 117.3 Ų | 117.3 | 95% | 0.948 | 64% | 0.638 | S | S | * | * | trans | -70.4 | 66.9 | 172.1 | -147.5 | -176.5 | -171 | -173.3 | 0 | 108.1 | L43 | L43-K45 PolarHBondContact O-N 3.42Š| ||
| 46 | T | 41.1 | Very low | 45.8 | Very low | 66 Ų | 66 | 116.1 Ų | 116.1 | 41% | 0.405 | 63% | 0.628 | S | S | . | * | trans | -84.1 | 133.3 | 159.4 | -29 | 0 | 0 | 0 | 0 | 104.4 | Q44 T48 E50 | Q44-T46 PolarHBondContact O-N 2.98Å; Q44-T46 PolarHBondContact O-OG1 3.5Å; T46-T48 PolarHBondContact O-N 3.03Å; T46-E50 WeakPolarHBondContact CG2-OE2 3.3Å | ||
| 47 | G | 43.1 | Very low | 47.7 | Very low | 32 Ų | 32 | 111.8 Ų | 111.8 | 33% | 0.33 | 60% | 0.602 | S | S | . | * | trans | -57.1 | 130.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A49 E50 | G47-A49 PolarHBondContact O-N 3.41Å; G47-A49 VanDerWaalsContact O-N 3.08Å; G47-E50 PolarHBondContact N-OE2 2.91Å; G47-E50 WeakPolarHBondContact O-CB 3.32Å; G47-E50 PolarHBondContact O-N 3.28Å | ||
| 48 | T | 49.6 | Very low | 49.7 | Very low | 130 Ų | 130 | 110.7 Ų | 110.7 | 80% | 0.798 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -58.7 | -20.2 | 177.6 | 28.5 | 0 | 0 | 0 | 0 | 113.3 | T46 S52 | T46-T48 PolarHBondContact O-N 3.03Å; T48-S52 PolarHBondContact O-OG 2.92Å |
| 49 | A | 50.4 | Low | 51.9 | Low | 78 Ų | 78 | 113.7 Ų | 113.7 | 65% | 0.645 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -78.6 | -36.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G47 V51 S52 | G47-A49 PolarHBondContact O-N 3.41Å; G47-A49 VanDerWaalsContact O-N 3.08Å; A49-V51 VanDerWaalsContact C-N 3.32Å; A49-V51 PolarHBondContact O-N 3.09Å; A49-S52 PolarHBondContact O-N 3.28Å |
| 50 | E | 54.1 | Low | 54.1 | Low | 49 Ų | 49 | 115.1 Ų | 115.1 | 23% | 0.229 | 59% | 0.593 | C | S | . | * | H | α-helix | trans | -66.1 | -33.9 | -175.3 | -59.7 | 171.7 | 160 | 0 | 0 | 112.1 | T46 G47 I54 | T46-E50 WeakPolarHBondContact CG2-OE2 3.3Å; G47-E50 PolarHBondContact N-OE2 2.91Å; G47-E50 WeakPolarHBondContact O-CB 3.32Å; G47-E50 PolarHBondContact O-N 3.28Å; E50-I54 WeakPolarHBondContact O-CD1 3.47Å |
| 51 | V | 60.6 | Low | 55.5 | Low | 68 Ų | 68 | 110.4 Ų | 110.4 | 41% | 0.412 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -80.7 | -25.9 | 179.3 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | A49 L55 | A49-V51 VanDerWaalsContact C-N 3.32Å; A49-V51 PolarHBondContact O-N 3.09Å; V51-L55 HydrophobicContact CG1-CD1 3.53Å; V51-L55 HydrophobicContact CG1-CG 3.85Å; V51-L55 VanDerWaalsContact O-CB 3.28Å; V51-L55 WeakPolarHBondContact O-CB 3.48Å; V51-L55 WeakPolarHBondContact O-CG 3.44Å; V51-L55 PolarHBondContact O-N 3.49Å |
| 52 | S | 66.2 | Low | 56.7 | Low | 70 Ų | 70 | 105.8 Ų | 105.8 | 49% | 0.49 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71 | -43.6 | -172.1 | -64.6 | 0 | 0 | 0 | 0 | 112.6 | T48 A49 L55 E56 | T48-S52 PolarHBondContact O-OG 2.92Å; A49-S52 PolarHBondContact O-N 3.28Å; S52-L55 PolarHBondContact O-N 3.25Å; S52-E56 VanDerWaalsContact O-CB 3.29Å; S52-E56 WeakPolarHBondContact O-CB 3.43Å; S52-E56 PolarHBondContact O-N 3.01Å |
| 53 | S | 68.6 | Low | 57.7 | Low | 62 Ų | 62 | 101.8 Ų | 101.8 | 43% | 0.434 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.3 | -39.2 | 178.7 | 55.7 | 0 | 0 | 0 | 0 | 112.9 | E56 E57 | S53-E56 PolarHBondContact O-N 3.38Å; S53-E57 PolarHBondContact O-N 3.33Å |
| 54 | I | 70.3 | Confident | 58.8 | Low | 37 Ų | 37 | 97.8 Ų | 97.8 | 19% | 0.19 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -68 | -40.6 | 177.1 | -59.8 | 173.1 | 0 | 0 | 0 | 110.7 | E50 R58 L75 | E50-I54 WeakPolarHBondContact O-CD1 3.47Å; I54-R58 WeakPolarHBondContact O-CG 3.36Å; I54-R58 PolarHBondContact O-N 3.46Å; I54-L75 HydrophobicContact CD1-CD2 3.78Å |
| 55 | L | 71.7 | Confident | 59.6 | Low | 87 Ų | 87 | 92.9 Ų | 92.9 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 175.1 | -73.4 | 179.3 | 0 | 0 | 0 | 111.5 | V51 S52 R58 I59 | V51-L55 HydrophobicContact CG1-CD1 3.53Å; V51-L55 HydrophobicContact CG1-CG 3.85Å; V51-L55 VanDerWaalsContact O-CB 3.28Å; V51-L55 WeakPolarHBondContact O-CB 3.48Å; V51-L55 WeakPolarHBondContact O-CG 3.44Å; V51-L55 PolarHBondContact O-N 3.49Å; S52-L55 PolarHBondContact O-N 3.25Å; L55-R58 PolarHBondContact O-N 3.43Å; L55-I59 WeakPolarHBondContact O-CB 3.34Å; L55-I59 WeakPolarHBondContact O-CD1 3.39Å; L55-I59 WeakPolarHBondContact O-CG1 3.45Å; L55-I59 PolarHBondContact O-N 3.43Å |
| 56 | E | 72.6 | Confident | 60.4 | Low | 123 Ų | 123 | 88 Ų | 88 | 58% | 0.575 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.5 | -47.9 | 174.8 | -172.2 | 174.3 | -171 | 0 | 0 | 111.2 | S52 S53 R58 I59 L60 | S52-E56 VanDerWaalsContact O-CB 3.29Å; S52-E56 WeakPolarHBondContact O-CB 3.43Å; S52-E56 PolarHBondContact O-N 3.01Å; S53-E56 PolarHBondContact O-N 3.38Å; E56-R58 VanDerWaalsContact C-N 3.32Å; E56-R58 PolarHBondContact O-N 3.02Å; E56-I59 PolarHBondContact O-N 2.95Å; E56-I59 VanDerWaalsContact O-N 3.17Å; E56-L60 HydrophobicContact CG-CD1 3.99Å; E56-L60 WeakPolarHBondContact O-CB 3.36Å; E56-L60 VanDerWaalsContact O-CG 3.26Å; E56-L60 WeakPolarHBondContact O-CG 3.32Å; E56-L60 PolarHBondContact O-N 3.31Å |
| 57 | E | 69.6 | Low | 61.5 | Low | 85 Ų | 85 | 90 Ų | 90 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.1 | -39.8 | 174.5 | -77.3 | -175.1 | 167.7 | 0 | 0 | 112.4 | S53 L60 G61 R73 | S53-E57 PolarHBondContact O-N 3.33Å; E57-L60 PolarHBondContact O-N 3.47Å; E57-G61 PolarHBondContact O-N 3.04Å; E57-R73 IonicContact OE1-CZ 2.67Å; E57-R73 IonicContact OE1-NH1 2.65Å; E57-R73 PolarHBondContact OE1-NH1 3.28Å; E57-R73 IonicContact OE1-NH2 3.53Å; E57-R73 IonicContact OE2-NH1 2.76Å |
| 58 | R | 68 | Low | 62.9 | Low | 168 Ų | 168 | 90.2 Ų | 90.2 | 63% | 0.634 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.5 | -36.9 | 175.5 | -77.9 | -171 | -176.4 | -172.7 | 4.3 | 113.1 | I54 L55 E56 G61 | I54-R58 WeakPolarHBondContact O-CG 3.36Å; I54-R58 PolarHBondContact O-N 3.46Å; L55-R58 PolarHBondContact O-N 3.43Å; E56-R58 VanDerWaalsContact C-N 3.32Å; E56-R58 PolarHBondContact O-N 3.02Å; R58-G61 PolarHBondContact O-N 3.01Å |
| 59 | I | 76.8 | Confident | 64.3 | Low | 145 Ų | 145 | 88 Ų | 88 | 74% | 0.744 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -71 | -34.7 | 178 | -70.2 | 163.9 | 0 | 0 | 0 | 110.7 | L55 E56 G61 | L55-I59 WeakPolarHBondContact O-CB 3.34Å; L55-I59 WeakPolarHBondContact O-CD1 3.39Å; L55-I59 WeakPolarHBondContact O-CG1 3.45Å; L55-I59 PolarHBondContact O-N 3.43Å; E56-I59 PolarHBondContact O-N 2.95Å; E56-I59 VanDerWaalsContact O-N 3.17Å; I59-G61 PolarHBondContact O-N 2.87Å |
| 60 | L | 75.9 | Confident | 66.1 | Low | 131 Ų | 131 | 88.2 Ų | 88.2 | 69% | 0.686 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -5.2 | 177 | -70.6 | 168.4 | 0 | 0 | 0 | 113.7 | E56 E57 A62 | E56-L60 HydrophobicContact CG-CD1 3.99Å; E56-L60 WeakPolarHBondContact O-CB 3.36Å; E56-L60 VanDerWaalsContact O-CG 3.26Å; E56-L60 WeakPolarHBondContact O-CG 3.32Å; E56-L60 PolarHBondContact O-N 3.31Å; E57-L60 PolarHBondContact O-N 3.47Å; L60-A62 VanDerWaalsContact C-N 3.33Å; L60-A62 PolarHBondContact O-N 3.35Å |
| 61 | G | 58.9 | Low | 67.8 | Low | 59 Ų | 59 | 87.1 Ų | 87.1 | 61% | 0.608 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 21.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E57 R58 I59 D63 | E57-G61 PolarHBondContact O-N 3.04Å; R58-G61 PolarHBondContact O-N 3.01Å; I59-G61 PolarHBondContact O-N 2.87Å; G61-D63 PolarHBondContact O-N 3.39Å |
| 62 | A | 57.1 | Low | 69.3 | Low | 62 Ų | 62 | 83.9 Ų | 83.9 | 51% | 0.512 | 47% | 0.466 | S | S | . | . | trans | -72.1 | 113.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L60 T64 | L60-A62 VanDerWaalsContact C-N 3.33Å; L60-A62 PolarHBondContact O-N 3.35Å; A62-T64 HydrophobicContact CB-CG2 4.35Å; A62-T64 PolarHBondContact O-N 3.18Å; A62-T64 PolarHBondContact O-OG1 3.02Å | ||
| 63 | D | 49.7 | Very low | 70.6 | Confident | 156 Ų | 156 | 86.4 Ų | 86.4 | 83% | 0.834 | 46% | 0.464 | S | S | * | . | trans | -67.5 | 75.1 | 169.1 | -95 | -34.9 | 0 | 0 | 0 | 110.4 | G61 S65 | G61-D63 PolarHBondContact O-N 3.39Å; D63-S65 VanDerWaalsContact C-N 3.34Å | ||
| 64 | T | 56.4 | Low | 71.8 | Confident | 69 Ų | 69 | 83.6 Ų | 83.6 | 42% | 0.423 | 44% | 0.444 | S | S | . | . | trans | -96.8 | 18 | 171.5 | 45.7 | 0 | 0 | 0 | 0 | 112.2 | A62 V66 D67 L68 | A62-T64 HydrophobicContact CB-CG2 4.35Å; A62-T64 PolarHBondContact O-N 3.18Å; A62-T64 PolarHBondContact O-OG1 3.02Å; T64-V66 VanDerWaalsContact C-N 3.32Å; T64-V66 PolarHBondContact O-N 3.31Å; T64-D67 PolarHBondContact O-N 2.86Å; T64-L68 PolarHBondContact O-N 2.86Å | ||
| 65 | S | 53.8 | Low | 72.8 | Confident | 56 Ų | 56 | 83.3 Ų | 83.3 | 39% | 0.392 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -36.5 | -173.6 | 58 | 0 | 0 | 0 | 0 | 113.6 | D63 | D63-S65 VanDerWaalsContact C-N 3.34Š|
| 66 | V | 53.1 | Low | 73.8 | Confident | 116 Ų | 116 | 80.9 Ų | 80.9 | 70% | 0.703 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -34.2 | -179.6 | -177 | 0 | 0 | 0 | 0 | 112.2 | T64 | T64-V66 VanDerWaalsContact C-N 3.32Å; T64-V66 PolarHBondContact O-N 3.31Å |
| 67 | D | 66.1 | Low | 74.7 | Confident | 106 Ų | 106 | 77.2 Ų | 77.2 | 57% | 0.567 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -75.2 | -28.7 | -177.4 | -138.4 | 2 | 0 | 0 | 0 | 111.5 | T64 E69 T71 | T64-D67 PolarHBondContact O-N 2.86Å; D67-E69 VanDerWaalsContact C-N 3.31Å; D67-E69 PolarHBondContact O-N 2.94Å; D67-T71 WeakPolarHBondContact O-CA 3.39Å; D67-T71 WeakPolarHBondContact O-CB 3.39Å; D67-T71 PolarHBondContact O-N 3.41Å; D67-T71 PolarHBondContact O-OG1 3.28Å |
| 68 | L | 71.3 | Confident | 75.7 | Confident | 37 Ų | 37 | 74.9 Ų | 74.9 | 19% | 0.194 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -77.1 | -9.1 | 179.3 | -67.7 | 173.9 | 0 | 0 | 0 | 114.6 | T64 T71 G86 L87 R88 | T64-L68 PolarHBondContact O-N 2.86Å; L68-T71 CarbonylContact C-O 3.59Å; L68-T71 WeakPolarHBondContact CA-O 3.38Å; L68-G86 CarbonylContact O-C 3.58Å; L68-L87 PolarHBondContact O-N 3.45Å; L68-R88 PolarHBondContact O-N 3.36Å |
| 69 | E | 80 | Confident | 76.6 | Confident | 83 Ų | 83 | 72.7 Ų | 72.7 | 39% | 0.388 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72.8 | -45.1 | 176.6 | -71.6 | -168 | -180 | 0 | 0 | 111.9 | D67 L87 R88 N89 | D67-E69 VanDerWaalsContact C-N 3.31Å; D67-E69 PolarHBondContact O-N 2.94Å; E69-L87 CarbonylContact O-C 3.56Å; E69-R88 PolarHBondContact O-N 3.19Å; E69-N89 PolarHBondContact O-N 2.7Å; E69-N89 PolarHBondContact OE2-ND2 2.98Å |
| 70 | E | 87.2 | Confident | 77.2 | Confident | 84 Ų | 84 | 66.5 Ų | 66.5 | 39% | 0.393 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -108.4 | -20.5 | -173.4 | -64.5 | -66.2 | 130.9 | 0 | 0 | 112.9 | L87 N89 R133 | E70-L87 WeakPolarHBondContact O-CD2 3.41Å; E70-N89 PolarHBondContact OE1-ND2 2.95Å; E70-R133 WeakPolarHBondContact O-CG 3.27Å; E70-R133 PolarHBondContact O-N 2.94Å; E70-R133 IonicContact OE1-CZ 3.15Å; E70-R133 IonicContact OE1-NH1 2.87Å; E70-R133 PolarHBondContact OE1-NH1 3.29Å; E70-R133 WeakPolarHBondContact OE2-CD 3.24Å; E70-R133 VanDerWaalsContact OE2-CG 3.28Å; E70-R133 WeakPolarHBondContact OE2-CG 3.38Å; E70-R133 IonicContact OE2-CZ 2.72Å; E70-R133 IonicContact OE2-NE 3.87Å; E70-R133 IonicContact OE2-NH1 3.59Å; E70-R133 PolarHBondContact OE2-NH1 3.03Å |
| 71 | T | 91.1 | Very high | 78 | Confident | 26 Ų | 26 | 61.1 Ų | 61.1 | 16% | 0.16 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 158.5 | 175.8 | 78.2 | 0 | 0 | 0 | 0 | 111.5 | D67 L68 L87 V131 K132 | D67-T71 WeakPolarHBondContact O-CA 3.39Å; D67-T71 WeakPolarHBondContact O-CB 3.39Å; D67-T71 PolarHBondContact O-N 3.41Å; D67-T71 PolarHBondContact O-OG1 3.28Å; L68-T71 CarbonylContact C-O 3.59Å; L68-T71 WeakPolarHBondContact CA-O 3.38Å; T71-L87 PolarHBondContact O-N 3.22Å; T71-V131 CarbonylContact C-O 3.56Å; T71-V131 VanDerWaalsContact CA-O 3.32Å; T71-V131 WeakPolarHBondContact CA-O 3.45Å; T71-K132 HydrophobicContact CG2-CG 4.05Å |
| 72 | G | 91.4 | Very high | 79.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 170.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | H85 I130 V131 | G72-H85 CarbonylContact C-O 3.59Å; G72-H85 WeakPolarHBondContact CA-O 3.36Å; G72-I130 CarbonylContact O-C 3.59Å; G72-I130 WeakPolarHBondContact O-CA 3.5Å; G72-V131 PolarHBondContact N-O 3.5Å; G72-V131 PolarHBondContact O-N 3.47Å |
| 73 | R | 92.3 | Very high | 81.4 | Confident | 123 Ų | 123 | 59 Ų | 59 | 46% | 0.464 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 136.5 | 175.8 | -67.6 | -176 | -178.7 | 174 | 2.5 | 110.2 | E57 L75 V84 H85 D129 | E57-R73 IonicContact OE1-CZ 2.67Å; E57-R73 IonicContact OE1-NH1 2.65Å; E57-R73 PolarHBondContact OE1-NH1 3.28Å; E57-R73 IonicContact OE1-NH2 3.53Å; E57-R73 IonicContact OE2-NH1 2.76Å; R73-L75 PolarHBondContact O-N 3.27Å; R73-V84 CarbonylContact O-C 3.56Å; R73-V84 WeakPolarHBondContact O-CA 3.36Å; R73-H85 PolarHBondContact N-O 2.9Å; R73-H85 PolarHBondContact O-N 3.33Å; R73-D129 CarbonylContact C-O 3.57Å; R73-D129 WeakPolarHBondContact CA-O 3.3Å |
| 74 | V | 94.4 | Very high | 83.5 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 118.9 | 174.9 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | I77 R83 V84 F98 I125 G128 D129 V131 | V74-I77 HydrophobicContact CG1-CB 4.3Å; V74-R83 CarbonylContact C-O 3.59Å; V74-V84 HydrophobicContact CG2-CG2 4.47Å; V74-F98 HydrophobicContact CG2-CD1 4.06Å; V74-F98 HydrophobicContact CG2-CE1 3.91Å; V74-I125 HydrophobicContact CG1-CG2 4.32Å; V74-I125 HydrophobicContact CG2-CG2 4.01Å; V74-G128 PolarHBondContact O-N 3.48Å; V74-D129 HydrophobicContact CB-CB 4.46Å; V74-D129 HydrophobicContact CG2-CB 4.03Å; V74-D129 WeakPolarHBondContact CG2-O 3.32Å; V74-D129 PolarHBondContact N-O 3.19Å; V74-V131 HydrophobicContact CG2-CG2 3.56Å |
| 75 | L | 91.8 | Very high | 85.2 | Confident | 32 Ų | 32 | 50 Ų | 50 | 17% | 0.168 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -44.2 | 172.4 | -62.8 | 179 | 0 | 0 | 0 | 111.4 | I54 R73 R83 H85 N113 E127 | I54-L75 HydrophobicContact CD1-CD2 3.78Å; R73-L75 PolarHBondContact O-N 3.27Å; L75-R83 HydrophobicContact CB-CB 4.29Å; L75-R83 WeakPolarHBondContact CB-O 3.37Å; L75-R83 PolarHBondContact N-O 3.41Å; L75-H85 HydrophobicContact CD1-CB 3.96Å; L75-H85 HydrophobicContact CD2-CB 3.71Å; L75-H85 HydrophobicContact CG-CB 3.81Å; L75-N113 HydrophobicContact CD1-CB 4.06Å; L75-E127 WeakPolarHBondContact O-CG 3.47Å |
| 76 | S | 91.8 | Very high | 87 | Confident | 35 Ų | 35 | 48 Ų | 48 | 25% | 0.245 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 152.8 | 178.1 | 46.6 | 0 | 0 | 0 | 0 | 110.1 | A82 R83 | S76-A82 CarbonylContact O-C 3.37Å; S76-A82 WeakPolarHBondContact O-CA 3.43Å; S76-R83 PolarHBondContact O-N 3.46Å |
| 77 | I | 92.9 | Very high | 88.8 | Confident | 46 Ų | 46 | 42.5 Ų | 42.5 | 24% | 0.236 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 131.7 | 178 | 176.8 | 60 | 0 | 0 | 0 | 108.3 | V74 I81 A82 V118 D122 I125 | V74-I77 HydrophobicContact CG1-CB 4.3Å; I77-I81 WeakPolarHBondContact CA-O 3.22Å; I77-I81 WeakPolarHBondContact CD1-O 3.35Å; I77-A82 HydrophobicContact CD1-CB 4.02Å; I77-V118 HydrophobicContact CD1-CG2 4Å; I77-D122 HydrophobicContact CD1-CB 3.96Å; I77-D122 HydrophobicContact CG1-CB 4.09Å; I77-I125 HydrophobicContact CB-CG2 4.35Å; I77-I125 HydrophobicContact CG1-CB 4.25Å; I77-I125 HydrophobicContact CG1-CG2 4.24Å; I77-I125 HydrophobicContact CG2-CG2 4.47Å |
| 78 | G | 89.9 | Confident | 89.8 | Confident | 36 Ų | 36 | 44.6 Ų | 44.6 | 37% | 0.371 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | 140.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | G80 I81 | G78-G80 PolarHBondContact O-N 3.3Å; G78-G80 VanDerWaalsContact O-N 3.13Å; G78-I81 PolarHBondContact N-O 3.36Å; G78-I81 PolarHBondContact O-N 2.97Å |
| 79 | D | 87.5 | Confident | 90.8 | Very high | 123 Ų | 123 | 46.2 Ų | 46.2 | 66% | 0.658 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 37.3 | 178.1 | -58.4 | -47 | 0 | 0 | 0 | 113.5 | D122 L327 | D79-D122 PolarHBondContact N-OD2 2.81Å; D79-L327 HydrophobicContact CB-CD1 3.85Å; D79-L327 HydrophobicContact CB-CD2 3.76Å; D79-L327 HydrophobicContact CB-CG 4.45Å; D79-L327 WeakPolarHBondContact O-CD1 3.21Å |
| 80 | G | 89.2 | Confident | 91.4 | Very high | 14 Ų | 14 | 42.9 Ų | 42.9 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 11.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | G78 V118 D122 | G78-G80 PolarHBondContact O-N 3.3Å; G78-G80 VanDerWaalsContact O-N 3.13Å; G80-V118 PolarHBondContact O-N 3.41Å; G80-D122 PolarHBondContact N-OD2 3.29Å |
| 81 | I | 92.5 | Very high | 91.7 | Very high | 19 Ų | 19 | 43.5 Ų | 43.5 | 10% | 0.097 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.6 | 175.3 | -56.1 | -160 | 0 | 0 | 0 | 110.7 | I77 G78 V117 L327 L328 | I77-I81 WeakPolarHBondContact CA-O 3.22Å; I77-I81 WeakPolarHBondContact CD1-O 3.35Å; G78-I81 PolarHBondContact N-O 3.36Å; G78-I81 PolarHBondContact O-N 2.97Å; I81-V117 HydrophobicContact CD1-CG2 4.37Å; I81-V117 HydrophobicContact CG1-CG2 4.41Å; I81-L327 HydrophobicContact CD1-CB 3.29Å; I81-L327 HydrophobicContact CD1-CD1 4.4Å; I81-L327 HydrophobicContact CD1-CG 4.49Å; I81-L327 HydrophobicContact CG1-CB 4.08Å; I81-L327 HydrophobicContact CG1-CD1 4.48Å; I81-L328 HydrophobicContact CD1-CD2 3.71Å; I81-L328 HydrophobicContact CD1-CG 3.64Å; I81-L328 HydrophobicContact CG2-CD2 3.96Å |
| 82 | A | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 135.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S76 I77 V84 F98 V116 V118 | S76-A82 CarbonylContact O-C 3.37Å; S76-A82 WeakPolarHBondContact O-CA 3.43Å; I77-A82 HydrophobicContact CD1-CB 4.02Å; A82-V84 HydrophobicContact CB-CG2 4.22Å; A82-F98 HydrophobicContact CB-CE1 3.76Å; A82-F98 HydrophobicContact CB-CZ 3.79Å; A82-V116 HydrophobicContact CB-CB 4.37Å; A82-V116 PolarHBondContact N-O 2.94Å; A82-V116 PolarHBondContact O-N 3.41Å; A82-V118 HydrophobicContact CB-CG2 4.37Å |
| 83 | R | 93.5 | Very high | 91.7 | Very high | 75 Ų | 75 | 47.9 Ų | 47.9 | 28% | 0.283 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 124.5 | 163.7 | -67.4 | -177.9 | 174.9 | -164.5 | -12.3 | 108.1 | V74 L75 S76 | V74-R83 CarbonylContact C-O 3.59Å; L75-R83 HydrophobicContact CB-CB 4.29Å; L75-R83 WeakPolarHBondContact CB-O 3.37Å; L75-R83 PolarHBondContact N-O 3.41Å; S76-R83 PolarHBondContact O-N 3.46Å |
| 84 | V | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.9 | -173.4 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | R73 V74 A82 L87 N113 V114 V116 V131 | R73-V84 CarbonylContact O-C 3.56Å; R73-V84 WeakPolarHBondContact O-CA 3.36Å; V74-V84 HydrophobicContact CG2-CG2 4.47Å; A82-V84 HydrophobicContact CB-CG2 4.22Å; V84-L87 HydrophobicContact CB-CD1 4.22Å; V84-L87 HydrophobicContact CG1-CD1 3.68Å; V84-L87 HydrophobicContact CG1-CG 4.09Å; V84-N113 CarbonylContact O-C 3.5Å; V84-N113 VanDerWaalsContact O-CA 3.3Å; V84-N113 WeakPolarHBondContact O-CA 3.39Å; V84-V114 PolarHBondContact N-O 3.45Å; V84-V114 PolarHBondContact O-N 2.73Å; V84-V116 HydrophobicContact CB-CG2 4.49Å; V84-V116 HydrophobicContact CG2-CB 4.32Å; V84-V116 HydrophobicContact CG2-CG2 3.84Å; V84-V131 HydrophobicContact CG1-CB 3.97Å; V84-V131 HydrophobicContact CG1-CG2 3.96Å; V84-V131 HydrophobicContact CG2-CB 4.48Å; V84-V131 HydrophobicContact CG2-CG2 3.89Å |
| 85 | H | 92.1 | Very high | 91.8 | Very high | 37 Ų | 37 | 42.5 Ų | 42.5 | 17% | 0.171 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 140.9 | 171.2 | -173.1 | 68.1 | 0 | 0 | 0 | 110.6 | G72 R73 L75 D112 | G72-H85 CarbonylContact C-O 3.59Å; G72-H85 WeakPolarHBondContact CA-O 3.36Å; R73-H85 PolarHBondContact N-O 2.9Å; R73-H85 PolarHBondContact O-N 3.33Å; L75-H85 HydrophobicContact CD1-CB 3.96Å; L75-H85 HydrophobicContact CD2-CB 3.71Å; L75-H85 HydrophobicContact CG-CB 3.81Å; H85-D112 PolarHBondContact ND1-O 2.98Å |
| 86 | G | 90.3 | Very high | 91.9 | Very high | 13 Ų | 13 | 41 Ų | 41 | 13% | 0.134 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 98.1 | -142.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111 | L68 R88 | L68-G86 CarbonylContact O-C 3.58Å; G86-R88 PolarHBondContact O-N 3.48Å |
| 87 | L | 90.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | trans | 51.3 | 40.6 | -178.2 | -64 | -179.6 | 0 | 0 | 0 | 113.2 | L68 E69 E70 T71 V84 N89 V90 V96 V114 V131 R133 | L68-L87 PolarHBondContact O-N 3.45Å; E69-L87 CarbonylContact O-C 3.56Å; E70-L87 WeakPolarHBondContact O-CD2 3.41Å; T71-L87 PolarHBondContact O-N 3.22Å; V84-L87 HydrophobicContact CB-CD1 4.22Å; V84-L87 HydrophobicContact CG1-CD1 3.68Å; V84-L87 HydrophobicContact CG1-CG 4.09Å; L87-N89 PolarHBondContact O-N 3.02Å; L87-N89 VanDerWaalsContact O-N 3.12Å; L87-V90 HydrophobicContact CB-CB 4.04Å; L87-V90 HydrophobicContact CB-CG1 4.02Å; L87-V90 WeakPolarHBondContact O-CB 3.37Å; L87-V90 WeakPolarHBondContact O-CG1 3.3Å; L87-V90 PolarHBondContact O-N 3.27Å; L87-V96 HydrophobicContact CD1-CG1 4.3Å; L87-V114 HydrophobicContact CB-CG2 4.32Å; L87-V131 HydrophobicContact CD1-CB 4.49Å; L87-V131 HydrophobicContact CD1-CG1 4.09Å; L87-R133 HydrophobicContact CD2-CB 4.26Å | ||
| 88 | R | 88.2 | Confident | 92.2 | Very high | 151 Ų | 151 | 41.5 Ų | 41.5 | 57% | 0.57 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -30.9 | -171.8 | -65.2 | -179.9 | 177.1 | 176.5 | 1.4 | 113.8 | L68 E69 G86 | L68-R88 PolarHBondContact O-N 3.36Å; E69-R88 PolarHBondContact O-N 3.19Å; G86-R88 PolarHBondContact O-N 3.48Å |
| 89 | N | 91.2 | Very high | 92.3 | Very high | 71 Ų | 71 | 43.3 Ų | 43.3 | 38% | 0.38 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 4.5 | -178.4 | -66.3 | -20.8 | 0 | 0 | 0 | 113.6 | E69 E70 L87 R133 | E69-N89 PolarHBondContact O-N 2.7Å; E69-N89 PolarHBondContact OE2-ND2 2.98Å; E70-N89 PolarHBondContact OE1-ND2 2.95Å; L87-N89 PolarHBondContact O-N 3.02Å; L87-N89 VanDerWaalsContact O-N 3.12Å; N89-R133 PolarHBondContact O-NH1 2.83Å; N89-R133 PolarHBondContact O-NH2 3.27Å |
| 90 | V | 93.8 | Very high | 92.4 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 7% | 0.073 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 136.1 | -179.3 | 78.5 | 0 | 0 | 0 | 0 | 111 | L87 E94 V96 L109 V114 | L87-V90 HydrophobicContact CB-CB 4.04Å; L87-V90 HydrophobicContact CB-CG1 4.02Å; L87-V90 WeakPolarHBondContact O-CB 3.37Å; L87-V90 WeakPolarHBondContact O-CG1 3.3Å; L87-V90 PolarHBondContact O-N 3.27Å; V90-E94 HydrophobicContact CG2-CB 3.87Å; V90-E94 HydrophobicContact CG2-CG 4.34Å; V90-V96 HydrophobicContact CG2-CG1 4.17Å; V90-L109 HydrophobicContact CG1-CD2 3.75Å; V90-V114 HydrophobicContact CG1-CG1 4.11Å; V90-V114 HydrophobicContact CG1-CG2 3.86Å |
| 91 | Q | 93 | Very high | 92.5 | Very high | 98 Ų | 98 | 41.2 Ų | 41.2 | 46% | 0.458 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -86.8 | 161.8 | 176 | -60.2 | -178.3 | -7.1 | 0 | 0 | 110.4 | E94 S106 | Q91-E94 HydrophobicContact CB-CB 4.2Å; Q91-E94 WeakPolarHBondContact CB-OE2 3.45Å; Q91-E94 PolarHBondContact N-OE2 3.06Å; Q91-E94 VanDerWaalsContact O-CB 3.28Å; Q91-E94 WeakPolarHBondContact O-CB 3.31Å; Q91-E94 PolarHBondContact O-N 2.84Å; Q91-S106 PolarHBondContact O-OG 3.41Å |
| 92 | A | 91.3 | Very high | 92.5 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 47% | 0.471 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 141 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | E94 L109 | A92-E94 PolarHBondContact O-N 2.64Å; A92-L109 HydrophobicContact CB-CD1 4.26Å |
| 93 | E | 91.3 | Very high | 92.5 | Very high | 60 Ų | 60 | 45.7 Ų | 45.7 | 28% | 0.28 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 19.7 | -175.4 | -50.1 | -177 | 160.7 | 0 | 0 | 113.7 | M105 S106 I137 V138 R347 | E93-M105 HydrophobicContact CB-SD 4.41Å; E93-S106 VanDerWaalsContact CA-O 3.3Å; E93-S106 WeakPolarHBondContact CA-O 3.44Å; E93-S106 PolarHBondContact N-O 3.25Å; E93-S106 PolarHBondContact N-OG 3.17Å; E93-I137 HydrophobicContact CB-CG2 4.39Å; E93-V138 PolarHBondContact O-N 3.37Å; E93-V138 VanDerWaalsContact O-N 3.15Å; E93-R347 IonicContact OE1-NH1 3.69Å; E93-R347 PolarHBondContact OE1-NH1 3.25Å |
| 94 | E | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 141.2 | 174.5 | -162.2 | 177.9 | 148.9 | 0 | 0 | 110.9 | V90 Q91 A92 M105 S106 R133 G135 A136 | V90-E94 HydrophobicContact CG2-CB 3.87Å; V90-E94 HydrophobicContact CG2-CG 4.34Å; Q91-E94 HydrophobicContact CB-CB 4.2Å; Q91-E94 WeakPolarHBondContact CB-OE2 3.45Å; Q91-E94 PolarHBondContact N-OE2 3.06Å; Q91-E94 VanDerWaalsContact O-CB 3.28Å; Q91-E94 WeakPolarHBondContact O-CB 3.31Å; Q91-E94 PolarHBondContact O-N 2.84Å; A92-E94 PolarHBondContact O-N 2.64Å; E94-M105 WeakPolarHBondContact O-CA 3.32Å; E94-S106 PolarHBondContact N-OG 3.34Å; E94-S106 PolarHBondContact O-N 2.95Å; E94-S106 PolarHBondContact O-OG 3.15Å; E94-R133 WeakPolarHBondContact OE1-CB 3.48Å; E94-R133 IonicContact OE1-CZ 3.59Å; E94-R133 IonicContact OE1-NE 3.61Å; E94-R133 PolarHBondContact OE1-NE 2.99Å; E94-R133 IonicContact OE1-NH2 3.63Å; E94-R133 PolarHBondContact OE1-NH2 3.2Å; E94-R133 IonicContact OE2-CZ 3.35Å; E94-R133 IonicContact OE2-NE 3.49Å; E94-R133 PolarHBondContact OE2-NE 3.34Å; E94-R133 IonicContact OE2-NH2 2.97Å; E94-R133 PolarHBondContact OE2-NH2 3.37Å; E94-G135 WeakPolarHBondContact OE1-CA 3.21Å; E94-G135 PolarHBondContact OE1-N 2.87Å; E94-A136 WeakPolarHBondContact CG-O 3.46Å |
| 95 | M | 93.6 | Very high | 92.5 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 6% | 0.064 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 137.8 | 173.4 | -172.1 | 174.1 | -66.4 | 0 | 0 | 110.1 | K103 G104 T134 A136 V138 L154 | M95-K103 HydrophobicContact SD-CD 3.75Å; M95-G104 WeakPolarHBondContact CA-O 3.37Å; M95-T134 HydrophobicContact CB-CG2 4.24Å; M95-T134 WeakPolarHBondContact CB-OG1 3.31Å; M95-T134 HydrophobicContact CG-CG2 4.09Å; M95-T134 WeakPolarHBondContact O-CB 3.49Å; M95-T134 WeakPolarHBondContact O-CG2 3.34Å; M95-T134 PolarHBondContact O-N 2.87Å; M95-T134 PolarHBondContact O-OG1 3.49Å; M95-A136 PolarHBondContact N-O 3.39Å; M95-V138 HydrophobicContact CB-CG2 4.22Å; M95-V138 HydrophobicContact CE-CB 4.28Å; M95-V138 HydrophobicContact CE-CG1 3.91Å; M95-V138 HydrophobicContact CE-CG2 4.05Å; M95-L154 HydrophobicContact CE-CD2 4.12Å |
| 96 | V | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 156.6 | 174.4 | -57.3 | 0 | 0 | 0 | 0 | 109.9 | L87 V90 F98 K103 G104 V116 V131 K132 | L87-V96 HydrophobicContact CD1-CG1 4.3Å; V90-V96 HydrophobicContact CG2-CG1 4.17Å; V96-F98 HydrophobicContact CG2-CE2 4.39Å; V96-K103 CarbonylContact O-C 3.57Å; V96-K103 WeakPolarHBondContact O-CA 3.42Å; V96-G104 PolarHBondContact N-O 3.16Å; V96-G104 PolarHBondContact O-N 3.06Å; V96-V116 HydrophobicContact CG2-CB 4.38Å; V96-V116 HydrophobicContact CG2-CG1 3.36Å; V96-V116 HydrophobicContact CG2-CG2 4.08Å; V96-V131 HydrophobicContact CB-CG1 3.8Å; V96-V131 HydrophobicContact CG2-CG1 3.87Å; V96-K132 CarbonylContact C-O 3.58Å; V96-K132 WeakPolarHBondContact CA-O 3.24Å |
| 97 | E | 95.2 | Very high | 92.6 | Very high | 87 Ų | 87 | 41.2 Ų | 41.2 | 41% | 0.407 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 128.3 | -179.9 | -173.2 | 170.4 | -175.3 | 0 | 0 | 109.8 | V131 K132 | E97-V131 WeakPolarHBondContact O-CA 3.14Å; E97-K132 PolarHBondContact N-O 3.42Å; E97-K132 PolarHBondContact O-N 3.44Å |
| 98 | F | 95.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 156.4 | 175.6 | -65.4 | -93.4 | 0 | 0 | 0 | 109.9 | V74 A82 V96 S100 G101 L102 V116 V118 I125 V131 | V74-F98 HydrophobicContact CG2-CD1 4.06Å; V74-F98 HydrophobicContact CG2-CE1 3.91Å; A82-F98 HydrophobicContact CB-CE1 3.76Å; A82-F98 HydrophobicContact CB-CZ 3.79Å; V96-F98 HydrophobicContact CG2-CE2 4.39Å; F98-S100 PolarHBondContact O-N 3.06Å; F98-G101 PolarHBondContact O-N 3.04Å; F98-L102 HydrophobicContact CD2-CB 4.37Å; F98-L102 WeakPolarHBondContact CD2-O 3.13Å; F98-L102 PolarHBondContact N-O 3.37Å; F98-V116 HydrophobicContact CE2-CG1 4.01Å; F98-V116 HydrophobicContact CZ-CB 4.37Å; F98-V116 HydrophobicContact CZ-CG1 3.7Å; F98-V118 HydrophobicContact CE2-CG2 4.03Å; F98-V118 HydrophobicContact CZ-CG2 3.87Å; F98-I125 HydrophobicContact CB-CD1 4.41Å; F98-I125 HydrophobicContact CB-CG1 4.33Å; F98-I125 HydrophobicContact CD1-CD1 3.7Å; F98-I125 HydrophobicContact CD1-CG1 4.02Å; F98-I125 HydrophobicContact CD1-CG2 3.89Å; F98-I125 HydrophobicContact CD2-CD1 3.85Å; F98-I125 HydrophobicContact CE1-CD1 3.85Å; F98-I125 HydrophobicContact CE1-CG2 4.11Å; F98-I125 HydrophobicContact CE2-CD1 3.99Å; F98-I125 HydrophobicContact CG-CD1 3.72Å; F98-I125 HydrophobicContact CG-CG1 4.09Å; F98-I125 HydrophobicContact CZ-CD1 3.99Å; F98-V131 HydrophobicContact CD1-CG2 3.56Å; F98-V131 HydrophobicContact CE1-CG1 4.49Å; F98-V131 HydrophobicContact CE1-CG2 3.65Å; F98-V131 HydrophobicContact CG-CG2 4.43Å |
| 99 | S | 92.1 | Very high | 92.7 | Very high | 75 Ų | 75 | 39.4 Ų | 39.4 | 52% | 0.524 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -26.4 | 174.1 | 56.1 | 0 | 0 | 0 | 0 | 114 | G101 D129 I130 | S99-G101 PolarHBondContact O-N 3.17Å; S99-D129 PolarHBondContact OG-OD1 3.22Å; S99-I130 PolarHBondContact N-O 2.92Å |
| 100 | S | 90.4 | Very high | 92.7 | Very high | 50 Ų | 50 | 39.9 Ų | 39.9 | 35% | 0.35 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -4.9 | 174.8 | 58.3 | 0 | 0 | 0 | 0 | 114.6 | F98 L102 | F98-S100 PolarHBondContact O-N 3.06Å; S100-L102 PolarHBondContact O-N 3.39Å |
| 101 | G | 90.6 | Very high | 92.3 | Very high | 43 Ų | 43 | 45.5 Ų | 45.5 | 44% | 0.443 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 79.3 | -1.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F98 S99 | F98-G101 PolarHBondContact O-N 3.04Å; S99-G101 PolarHBondContact O-N 3.17Å |
| 102 | L | 92.6 | Very high | 92 | Very high | 31 Ų | 31 | 46.9 Ų | 46.9 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | trans | -68.2 | 147.4 | 170.5 | -69.2 | -177.9 | 0 | 0 | 0 | 110.2 | F98 S100 V118 N121 L124 I125 | F98-L102 HydrophobicContact CD2-CB 4.37Å; F98-L102 WeakPolarHBondContact CD2-O 3.13Å; F98-L102 PolarHBondContact N-O 3.37Å; S100-L102 PolarHBondContact O-N 3.39Å; L102-V118 HydrophobicContact CD1-CG1 4.3Å; L102-N121 WeakPolarHBondContact CD1-O 3.4Å; L102-L124 HydrophobicContact CD1-CB 3.95Å; L102-L124 HydrophobicContact CD1-CD1 4.25Å; L102-I125 HydrophobicContact CD1-CD1 4.08Å; L102-I125 HydrophobicContact CD1-CG1 4.13Å | ||
| 103 | K | 94 | Very high | 92 | Very high | 81 Ų | 81 | 45.1 Ų | 45.1 | 35% | 0.352 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 156.5 | 175.7 | -64.2 | -178.4 | 173.5 | -169.6 | 0 | 110.3 | M95 V96 F119 | M95-K103 HydrophobicContact SD-CD 3.75Å; V96-K103 CarbonylContact O-C 3.57Å; V96-K103 WeakPolarHBondContact O-CA 3.42Å; K103-F119 HydrophobicContact CB-CD2 4.13Å; K103-F119 WeakPolarHBondContact O-CA 3.15Å; K103-F119 VanDerWaalsContact O-CB 3.31Å; K103-F119 WeakPolarHBondContact O-CB 3.38Å; K103-F119 PolarHBondContact O-N 3.26Å |
| 104 | G | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 177.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M95 V96 V117 | M95-G104 WeakPolarHBondContact CA-O 3.37Å; V96-G104 PolarHBondContact N-O 3.16Å; V96-G104 PolarHBondContact O-N 3.06Å; G104-V117 CarbonylContact C-O 3.46Å; G104-V117 WeakPolarHBondContact CA-O 3.25Å |
| 105 | M | 94.3 | Very high | 92 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 131.5 | 175.7 | 176 | -179.6 | 62.8 | 0 | 0 | 110.1 | E93 E94 L107 V116 V117 F119 V138 Y287 | E93-M105 HydrophobicContact CB-SD 4.41Å; E94-M105 WeakPolarHBondContact O-CA 3.32Å; M105-L107 HydrophobicContact CE-CD1 4.13Å; M105-L107 HydrophobicContact CE-CD2 3.61Å; M105-L107 HydrophobicContact CE-CG 3.89Å; M105-L107 PolarHBondContact O-N 3.35Å; M105-L107 HydrophobicContact SD-CD2 4.38Å; M105-V116 WeakPolarHBondContact O-CA 3.43Å; M105-V117 PolarHBondContact N-O 3.47Å; M105-V117 PolarHBondContact O-N 2.92Å; M105-F119 HydrophobicContact CB-CE1 4.34Å; M105-F119 HydrophobicContact CB-CE2 3.71Å; M105-F119 HydrophobicContact CB-CZ 3.39Å; M105-F119 HydrophobicContact CE-CZ 4.3Å; M105-F119 HydrophobicContact CG-CZ 4.42Å; M105-F119 HydrophobicContact SD-CZ 4.34Å; M105-V138 HydrophobicContact CB-CG2 4.16Å; M105-V138 HydrophobicContact CG-CG2 3.85Å; M105-V138 HydrophobicContact SD-CG2 3.74Å; M105-Y287 HydrophobicContact CE-CE1 4.1Å |
| 106 | S | 93.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 126 | 171.7 | 58.1 | 0 | 0 | 0 | 0 | 110 | Q91 E93 E94 | Q91-S106 PolarHBondContact O-OG 3.41Å; E93-S106 VanDerWaalsContact CA-O 3.3Å; E93-S106 WeakPolarHBondContact CA-O 3.44Å; E93-S106 PolarHBondContact N-O 3.25Å; E93-S106 PolarHBondContact N-OG 3.17Å; E94-S106 PolarHBondContact N-OG 3.34Å; E94-S106 PolarHBondContact O-N 2.95Å; E94-S106 PolarHBondContact O-OG 3.15Å |
| 107 | L | 89.4 | Confident | 92 | Very high | 25 Ų | 25 | 42.2 Ų | 42.2 | 13% | 0.131 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | -45.2 | 177.3 | -79.8 | -175.7 | 0 | 0 | 0 | 113.3 | M105 G115 V117 M324 L328 | M105-L107 HydrophobicContact CE-CD1 4.13Å; M105-L107 HydrophobicContact CE-CD2 3.61Å; M105-L107 HydrophobicContact CE-CG 3.89Å; M105-L107 PolarHBondContact O-N 3.35Å; M105-L107 HydrophobicContact SD-CD2 4.38Å; L107-G115 PolarHBondContact N-O 3.41Å; L107-V117 HydrophobicContact CB-CG2 4.48Å; L107-V117 HydrophobicContact CD1-CB 4.23Å; L107-V117 HydrophobicContact CD1-CG2 3.53Å; L107-V117 HydrophobicContact CG-CG2 4.2Å; L107-M324 HydrophobicContact CD1-CE 3.52Å; L107-L328 HydrophobicContact CB-CD1 4.04Å; L107-L328 HydrophobicContact CD1-CD1 3.89Å |
| 108 | N | 90.1 | Very high | 92 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 14% | 0.139 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.9 | 177.5 | -73.9 | 5.9 | 0 | 0 | 0 | 108.9 | V114 G115 R330 | N108-V114 WeakPolarHBondContact O-CA 3.33Å; N108-G115 PolarHBondContact N-O 2.96Å; N108-G115 PolarHBondContact O-N 3.08Å; N108-R330 PolarHBondContact OD1-NE 3.45Å; N108-R330 PolarHBondContact OD1-NH2 3.2Å |
| 109 | L | 92.6 | Very high | 91.8 | Very high | 89 Ų | 89 | 38.5 Ų | 38.5 | 47% | 0.466 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 101.9 | 171.3 | -51.2 | -176.1 | 0 | 0 | 0 | 107.1 | V90 A92 V114 | V90-L109 HydrophobicContact CG1-CD2 3.75Å; A92-L109 HydrophobicContact CB-CD1 4.26Å; L109-V114 HydrophobicContact CD2-CG1 3.82Å; L109-V114 HydrophobicContact CD2-CG2 4.27Å |
| 110 | E | 89.7 | Confident | 91.7 | Very high | 80 Ų | 80 | 36.2 Ų | 36.2 | 37% | 0.374 | 21% | 0.214 | S | C | . | . | trans | -96.8 | 161.3 | 176.4 | -55.5 | -177.5 | 179.3 | 0 | 0 | 109.6 | D112 N113 | E110-D112 PolarHBondContact O-N 3.1Å; E110-N113 CarbonylContact C-O 3.45Å; E110-N113 WeakPolarHBondContact CA-O 3.37Å; E110-N113 VanDerWaalsContact CB-O 3.25Å; E110-N113 WeakPolarHBondContact CB-O 3.44Å; E110-N113 PolarHBondContact N-O 3.09Å; E110-N113 VanDerWaalsContact O-O 3.07Å; E110-N113 PolarHBondContact OE2-ND2 2.9Å; E110-N113 PolarHBondContact OE2-OD1 2.87Å | ||
| 111 | P | 86.4 | Confident | 91.7 | Very high | 131 Ų | 131 | 37.9 Ų | 37.9 | 85% | 0.851 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -56.6 | -34.4 | -178.7 | -27.6 | 36.1 | 0 | 0 | 0 | 114.3 | ||
| 112 | D | 86.1 | Confident | 91.6 | Very high | 127 Ų | 127 | 37.8 Ų | 37.8 | 68% | 0.679 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -112.1 | -13.9 | -171.2 | -57.6 | -38 | 0 | 0 | 0 | 113.7 | H85 E110 | H85-D112 PolarHBondContact ND1-O 2.98Å; E110-D112 PolarHBondContact O-N 3.1Å |
| 113 | N | 90.8 | Very high | 91.5 | Very high | 20 Ų | 20 | 44.4 Ų | 44.4 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | trans | -156.4 | 163.7 | -176.9 | 73.6 | 91.1 | 0 | 0 | 0 | 112.2 | L75 V84 E110 | L75-N113 HydrophobicContact CD1-CB 4.06Å; V84-N113 CarbonylContact O-C 3.5Å; V84-N113 VanDerWaalsContact O-CA 3.3Å; V84-N113 WeakPolarHBondContact O-CA 3.39Å; E110-N113 CarbonylContact C-O 3.45Å; E110-N113 WeakPolarHBondContact CA-O 3.37Å; E110-N113 VanDerWaalsContact CB-O 3.25Å; E110-N113 WeakPolarHBondContact CB-O 3.44Å; E110-N113 PolarHBondContact N-O 3.09Å; E110-N113 VanDerWaalsContact O-O 3.07Å; E110-N113 PolarHBondContact OE2-ND2 2.9Å; E110-N113 PolarHBondContact OE2-OD1 2.87Å | ||
| 114 | V | 93.3 | Very high | 91.5 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125 | 176.3 | 179.3 | 0 | 0 | 0 | 0 | 109 | V84 L87 V90 N108 L109 V116 | V84-V114 PolarHBondContact N-O 3.45Å; V84-V114 PolarHBondContact O-N 2.73Å; L87-V114 HydrophobicContact CB-CG2 4.32Å; V90-V114 HydrophobicContact CG1-CG1 4.11Å; V90-V114 HydrophobicContact CG1-CG2 3.86Å; N108-V114 WeakPolarHBondContact O-CA 3.33Å; L109-V114 HydrophobicContact CD2-CG1 3.82Å; L109-V114 HydrophobicContact CD2-CG2 4.27Å; V114-V116 HydrophobicContact CG1-CG2 3.92Å; V114-V116 PolarHBondContact O-N 2.96Å |
| 115 | G | 93.5 | Very high | 91.4 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 106.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L107 N108 | L107-G115 PolarHBondContact N-O 3.41Å; N108-G115 PolarHBondContact N-O 2.96Å; N108-G115 PolarHBondContact O-N 3.08Å |
| 116 | V | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.5 | 178.5 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | A82 V84 V96 F98 M105 V114 | A82-V116 HydrophobicContact CB-CB 4.37Å; A82-V116 PolarHBondContact N-O 2.94Å; A82-V116 PolarHBondContact O-N 3.41Å; V84-V116 HydrophobicContact CB-CG2 4.49Å; V84-V116 HydrophobicContact CG2-CB 4.32Å; V84-V116 HydrophobicContact CG2-CG2 3.84Å; V96-V116 HydrophobicContact CG2-CB 4.38Å; V96-V116 HydrophobicContact CG2-CG1 3.36Å; V96-V116 HydrophobicContact CG2-CG2 4.08Å; F98-V116 HydrophobicContact CE2-CG1 4.01Å; F98-V116 HydrophobicContact CZ-CB 4.37Å; F98-V116 HydrophobicContact CZ-CG1 3.7Å; M105-V116 WeakPolarHBondContact O-CA 3.43Å; V114-V116 HydrophobicContact CG1-CG2 3.92Å; V114-V116 PolarHBondContact O-N 2.96Å |
| 117 | V | 93.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 131.1 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 110 | I81 G104 M105 L107 P284 M324 L328 | I81-V117 HydrophobicContact CD1-CG2 4.37Å; I81-V117 HydrophobicContact CG1-CG2 4.41Å; G104-V117 CarbonylContact C-O 3.46Å; G104-V117 WeakPolarHBondContact CA-O 3.25Å; M105-V117 PolarHBondContact N-O 3.47Å; M105-V117 PolarHBondContact O-N 2.92Å; L107-V117 HydrophobicContact CB-CG2 4.48Å; L107-V117 HydrophobicContact CD1-CB 4.23Å; L107-V117 HydrophobicContact CD1-CG2 3.53Å; L107-V117 HydrophobicContact CG-CG2 4.2Å; V117-P284 HydrophobicContact CB-CG 4.38Å; V117-P284 HydrophobicContact CG1-CB 3.37Å; V117-P284 HydrophobicContact CG1-CG 2.93Å; V117-M324 HydrophobicContact CG1-CE 4.13Å; V117-M324 HydrophobicContact CG2-CE 4.45Å; V117-L328 HydrophobicContact CG2-CD1 4.34Å; V117-L328 HydrophobicContact CG2-CD2 4.47Å |
| 118 | V | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 132 | -169.9 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | I77 G80 A82 F98 L102 G120 I125 | I77-V118 HydrophobicContact CD1-CG2 4Å; G80-V118 PolarHBondContact O-N 3.41Å; A82-V118 HydrophobicContact CB-CG2 4.37Å; F98-V118 HydrophobicContact CE2-CG2 4.03Å; F98-V118 HydrophobicContact CZ-CG2 3.87Å; L102-V118 HydrophobicContact CD1-CG1 4.3Å; V118-G120 PolarHBondContact O-N 3.12Å; V118-I125 HydrophobicContact CB-CD1 4.32Å; V118-I125 HydrophobicContact CG1-CD1 3.58Å; V118-I125 HydrophobicContact CG2-CD1 3.7Å |
| 119 | F | 92.1 | Very high | 91.4 | Very high | 13 Ų | 13 | 60.3 Ų | 60.3 | 6% | 0.057 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -91.9 | 61 | 175.9 | -62.2 | -42.8 | 0 | 0 | 0 | 111.8 | K103 M105 L154 P284 L285 L288 | K103-F119 HydrophobicContact CB-CD2 4.13Å; K103-F119 WeakPolarHBondContact O-CA 3.15Å; K103-F119 VanDerWaalsContact O-CB 3.31Å; K103-F119 WeakPolarHBondContact O-CB 3.38Å; K103-F119 PolarHBondContact O-N 3.26Å; M105-F119 HydrophobicContact CB-CE1 4.34Å; M105-F119 HydrophobicContact CB-CE2 3.71Å; M105-F119 HydrophobicContact CB-CZ 3.39Å; M105-F119 HydrophobicContact CE-CZ 4.3Å; M105-F119 HydrophobicContact CG-CZ 4.42Å; M105-F119 HydrophobicContact SD-CZ 4.34Å; F119-L154 HydrophobicContact CB-CD1 4.38Å; F119-L154 HydrophobicContact CD2-CD1 4.45Å; F119-L154 HydrophobicContact CD2-CD2 4.07Å; F119-L154 HydrophobicContact CE2-CD2 4.17Å; F119-P284 HydrophobicContact CD1-CB 3.74Å; F119-P284 HydrophobicContact CE1-CB 3.69Å; F119-L285 HydrophobicContact CB-CD2 4.02Å; F119-L285 HydrophobicContact CB-CG 4.39Å; F119-L285 HydrophobicContact CD1-CD2 3.98Å; F119-L285 HydrophobicContact CD1-CG 4.26Å; F119-L285 HydrophobicContact CG-CD2 4.17Å; F119-L288 HydrophobicContact CE1-CD2 4.33Å; F119-L288 HydrophobicContact CZ-CD2 4.1Å |
| 120 | G | 90.3 | Very high | 91.4 | Very high | 27 Ų | 27 | 60 Ų | 60 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 163.5 | -155 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | V118 | V118-G120 PolarHBondContact O-N 3.12Š|
| 121 | N | 90.3 | Very high | 91.7 | Very high | 84 Ų | 84 | 56.2 Ų | 56.2 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | trans | -83.6 | 112.2 | 179 | -175.2 | -0.3 | 0 | 0 | 0 | 110.3 | L102 K123 L124 | L102-N121 WeakPolarHBondContact CD1-O 3.4Å; N121-K123 PolarHBondContact O-N 3.01Å; N121-K123 WeakPolarHBondContact OD1-CB 3.47Å; N121-K123 WeakPolarHBondContact OD1-CG 3.29Å; N121-K123 PolarHBondContact OD1-N 3.09Å; N121-L124 PolarHBondContact O-N 3.35Å | ||
| 122 | D | 88.7 | Confident | 92.1 | Very high | 41 Ų | 41 | 56 Ų | 56 | 22% | 0.219 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -65.7 | -19.8 | -177.8 | 59.5 | -10.3 | 0 | 0 | 0 | 114.3 | I77 D79 G80 L124 I125 | I77-D122 HydrophobicContact CD1-CB 3.96Å; I77-D122 HydrophobicContact CG1-CB 4.09Å; D79-D122 PolarHBondContact N-OD2 2.81Å; G80-D122 PolarHBondContact N-OD2 3.29Å; D122-L124 PolarHBondContact O-N 3.29Å; D122-I125 PolarHBondContact O-N 3.35Å |
| 123 | K | 90.7 | Very high | 92.4 | Very high | 171 Ų | 171 | 52.1 Ų | 52.1 | 74% | 0.743 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -60.3 | -17.3 | 176.7 | -63.8 | 179.9 | -180 | -179.2 | 0 | 114.6 | N121 I125 | N121-K123 PolarHBondContact O-N 3.01Å; N121-K123 WeakPolarHBondContact OD1-CB 3.47Å; N121-K123 WeakPolarHBondContact OD1-CG 3.29Å; N121-K123 PolarHBondContact OD1-N 3.09Å; K123-I125 VanDerWaalsContact C-N 3.33Å |
| 124 | L | 92.4 | Very high | 92.4 | Very high | 102 Ų | 102 | 54 Ų | 54 | 53% | 0.534 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -86.7 | -6.2 | 178 | -59.3 | 179.7 | 0 | 0 | 0 | 112.9 | L102 N121 D122 | L102-L124 HydrophobicContact CD1-CB 3.95Å; L102-L124 HydrophobicContact CD1-CD1 4.25Å; N121-L124 PolarHBondContact O-N 3.35Å; D122-L124 PolarHBondContact O-N 3.29Å |
| 125 | I | 93.8 | Very high | 92.3 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | trans | -107.2 | 138.1 | 179.1 | -60.8 | 165.7 | 0 | 0 | 0 | 108.3 | V74 I77 F98 L102 V118 D122 K123 D129 | V74-I125 HydrophobicContact CG1-CG2 4.32Å; V74-I125 HydrophobicContact CG2-CG2 4.01Å; I77-I125 HydrophobicContact CB-CG2 4.35Å; I77-I125 HydrophobicContact CG1-CB 4.25Å; I77-I125 HydrophobicContact CG1-CG2 4.24Å; I77-I125 HydrophobicContact CG2-CG2 4.47Å; F98-I125 HydrophobicContact CB-CD1 4.41Å; F98-I125 HydrophobicContact CB-CG1 4.33Å; F98-I125 HydrophobicContact CD1-CD1 3.7Å; F98-I125 HydrophobicContact CD1-CG1 4.02Å; F98-I125 HydrophobicContact CD1-CG2 3.89Å; F98-I125 HydrophobicContact CD2-CD1 3.85Å; F98-I125 HydrophobicContact CE1-CD1 3.85Å; F98-I125 HydrophobicContact CE1-CG2 4.11Å; F98-I125 HydrophobicContact CE2-CD1 3.99Å; F98-I125 HydrophobicContact CG-CD1 3.72Å; F98-I125 HydrophobicContact CG-CG1 4.09Å; F98-I125 HydrophobicContact CZ-CD1 3.99Å; L102-I125 HydrophobicContact CD1-CD1 4.08Å; L102-I125 HydrophobicContact CD1-CG1 4.13Å; V118-I125 HydrophobicContact CB-CD1 4.32Å; V118-I125 HydrophobicContact CG1-CD1 3.58Å; V118-I125 HydrophobicContact CG2-CD1 3.7Å; D122-I125 PolarHBondContact O-N 3.35Å; K123-I125 VanDerWaalsContact C-N 3.33Å; I125-D129 WeakPolarHBondContact CA-OD2 3.5Å | ||
| 126 | K | 93.5 | Very high | 92 | Very high | 146 Ų | 146 | 57.7 Ų | 57.7 | 64% | 0.635 | 31% | 0.314 | S | S | * | . | trans | -124.5 | 159.6 | 178.4 | -63.7 | -179.6 | -177.1 | 176.8 | 0 | 110.8 | D129 | K126-D129 PolarHBondContact N-OD2 3.48Å; K126-D129 VanDerWaalsContact O-CB 3.28Å; K126-D129 WeakPolarHBondContact O-CB 3.45Å; K126-D129 PolarHBondContact O-N 3.5Å | ||
| 127 | E | 91.9 | Very high | 91.9 | Very high | 136 Ų | 136 | 59.3 Ų | 59.3 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 139.7 | 167.4 | -177.4 | 176.6 | 171.7 | 0 | 0 | 110.3 | L75 D129 | L75-E127 WeakPolarHBondContact O-CG 3.47Å; E127-D129 VanDerWaalsContact C-N 3.28Å; E127-D129 PolarHBondContact O-N 2.89Å |
| 128 | G | 88.8 | Confident | 91.9 | Very high | 43 Ų | 43 | 59.3 Ų | 59.3 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | -10 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | V74 | V74-G128 PolarHBondContact O-N 3.48Š|
| 129 | D | 92.9 | Very high | 91.8 | Very high | 37 Ų | 37 | 61 Ų | 61 | 20% | 0.198 | 33% | 0.331 | C | S | . | . | trans | -59.4 | 141.7 | 178 | -82.9 | -17 | 0 | 0 | 0 | 111.5 | R73 V74 S99 I125 K126 E127 | R73-D129 CarbonylContact C-O 3.57Å; R73-D129 WeakPolarHBondContact CA-O 3.3Å; V74-D129 HydrophobicContact CB-CB 4.46Å; V74-D129 HydrophobicContact CG2-CB 4.03Å; V74-D129 WeakPolarHBondContact CG2-O 3.32Å; V74-D129 PolarHBondContact N-O 3.19Å; S99-D129 PolarHBondContact OG-OD1 3.22Å; I125-D129 WeakPolarHBondContact CA-OD2 3.5Å; K126-D129 PolarHBondContact N-OD2 3.48Å; K126-D129 VanDerWaalsContact O-CB 3.28Å; K126-D129 WeakPolarHBondContact O-CB 3.45Å; K126-D129 PolarHBondContact O-N 3.5Å; E127-D129 VanDerWaalsContact C-N 3.28Å; E127-D129 PolarHBondContact O-N 2.89Å | ||
| 130 | I | 92.8 | Very high | 92 | Very high | 83 Ų | 83 | 60.4 Ų | 60.4 | 43% | 0.426 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 134.5 | 177.5 | -60.7 | 172 | 0 | 0 | 0 | 109 | G72 S99 K132 | G72-I130 CarbonylContact O-C 3.59Å; G72-I130 WeakPolarHBondContact O-CA 3.5Å; S99-I130 PolarHBondContact N-O 2.92Å; I130-K132 HydrophobicContact CG2-CG 4.22Å |
| 131 | V | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.8 | 173.3 | -172.3 | 0 | 0 | 0 | 0 | 108.2 | T71 G72 V74 V84 L87 V96 E97 F98 | T71-V131 CarbonylContact C-O 3.56Å; T71-V131 VanDerWaalsContact CA-O 3.32Å; T71-V131 WeakPolarHBondContact CA-O 3.45Å; G72-V131 PolarHBondContact N-O 3.5Å; G72-V131 PolarHBondContact O-N 3.47Å; V74-V131 HydrophobicContact CG2-CG2 3.56Å; V84-V131 HydrophobicContact CG1-CB 3.97Å; V84-V131 HydrophobicContact CG1-CG2 3.96Å; V84-V131 HydrophobicContact CG2-CB 4.48Å; V84-V131 HydrophobicContact CG2-CG2 3.89Å; L87-V131 HydrophobicContact CD1-CB 4.49Å; L87-V131 HydrophobicContact CD1-CG1 4.09Å; V96-V131 HydrophobicContact CB-CG1 3.8Å; V96-V131 HydrophobicContact CG2-CG1 3.87Å; E97-V131 WeakPolarHBondContact O-CA 3.14Å; F98-V131 HydrophobicContact CD1-CG2 3.56Å; F98-V131 HydrophobicContact CE1-CG1 4.49Å; F98-V131 HydrophobicContact CE1-CG2 3.65Å; F98-V131 HydrophobicContact CG-CG2 4.43Å |
| 132 | K | 94.5 | Very high | 92.6 | Very high | 127 Ų | 127 | 55.8 Ų | 55.8 | 55% | 0.552 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.9 | 177.8 | -61.1 | -171.6 | 177.9 | -178.7 | 0 | 109.7 | T71 V96 E97 I130 | T71-K132 HydrophobicContact CG2-CG 4.05Å; V96-K132 CarbonylContact C-O 3.58Å; V96-K132 WeakPolarHBondContact CA-O 3.24Å; E97-K132 PolarHBondContact N-O 3.42Å; E97-K132 PolarHBondContact O-N 3.44Å; I130-K132 HydrophobicContact CG2-CG 4.22Å |
| 133 | R | 93.4 | Very high | 93 | Very high | 46 Ų | 46 | 54 Ų | 54 | 17% | 0.174 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 149.2 | 171.1 | 68.2 | -178.8 | -77.6 | -146.3 | 16.8 | 111.3 | E70 L87 N89 E94 | E70-R133 WeakPolarHBondContact O-CG 3.27Å; E70-R133 PolarHBondContact O-N 2.94Å; E70-R133 IonicContact OE1-CZ 3.15Å; E70-R133 IonicContact OE1-NH1 2.87Å; E70-R133 PolarHBondContact OE1-NH1 3.29Å; E70-R133 WeakPolarHBondContact OE2-CD 3.24Å; E70-R133 VanDerWaalsContact OE2-CG 3.28Å; E70-R133 WeakPolarHBondContact OE2-CG 3.38Å; E70-R133 IonicContact OE2-CZ 2.72Å; E70-R133 IonicContact OE2-NE 3.87Å; E70-R133 IonicContact OE2-NH1 3.59Å; E70-R133 PolarHBondContact OE2-NH1 3.03Å; L87-R133 HydrophobicContact CD2-CB 4.26Å; N89-R133 PolarHBondContact O-NH1 2.83Å; N89-R133 PolarHBondContact O-NH2 3.27Å; E94-R133 WeakPolarHBondContact OE1-CB 3.48Å; E94-R133 IonicContact OE1-CZ 3.59Å; E94-R133 IonicContact OE1-NE 3.61Å; E94-R133 PolarHBondContact OE1-NE 2.99Å; E94-R133 IonicContact OE1-NH2 3.63Å; E94-R133 PolarHBondContact OE1-NH2 3.2Å; E94-R133 IonicContact OE2-CZ 3.35Å; E94-R133 IonicContact OE2-NE 3.49Å; E94-R133 PolarHBondContact OE2-NE 3.34Å; E94-R133 IonicContact OE2-NH2 2.97Å; E94-R133 PolarHBondContact OE2-NH2 3.37Å |
| 134 | T | 90.6 | Very high | 93.2 | Very high | 60 Ų | 60 | 49.7 Ų | 49.7 | 37% | 0.368 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -12 | 178.8 | 63.4 | 0 | 0 | 0 | 0 | 112.9 | M95 A136 | M95-T134 HydrophobicContact CB-CG2 4.24Å; M95-T134 WeakPolarHBondContact CB-OG1 3.31Å; M95-T134 HydrophobicContact CG-CG2 4.09Å; M95-T134 WeakPolarHBondContact O-CB 3.49Å; M95-T134 WeakPolarHBondContact O-CG2 3.34Å; M95-T134 PolarHBondContact O-N 2.87Å; M95-T134 PolarHBondContact O-OG1 3.49Å; T134-A136 PolarHBondContact O-N 3.44Å; T134-A136 PolarHBondContact OG1-N 2.98Å; T134-A136 PolarHBondContact OG1-O 3.47Å |
| 135 | G | 89.9 | Confident | 93.4 | Very high | 52 Ų | 52 | 48.8 Ų | 48.8 | 54% | 0.536 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.6 | 2.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E94 | E94-G135 WeakPolarHBondContact OE1-CA 3.21Å; E94-G135 PolarHBondContact OE1-N 2.87Å |
| 136 | A | 88.5 | Confident | 93.6 | Very high | 36 Ų | 36 | 48.4 Ų | 48.4 | 30% | 0.298 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112 | E94 M95 T134 | E94-A136 WeakPolarHBondContact CG-O 3.46Å; M95-A136 PolarHBondContact N-O 3.39Å; T134-A136 PolarHBondContact O-N 3.44Å; T134-A136 PolarHBondContact OG1-N 2.98Å; T134-A136 PolarHBondContact OG1-O 3.47Å |
| 137 | I | 92.8 | Very high | 93.7 | Very high | 34 Ų | 34 | 43.2 Ų | 43.2 | 17% | 0.174 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 142.8 | 162.5 | -64.2 | 169.6 | 0 | 0 | 0 | 108.3 | E93 D139 | E93-I137 HydrophobicContact CB-CG2 4.39Å; I137-D139 PolarHBondContact O-N 3.2Å; I137-D139 VanDerWaalsContact O-N 3.08Å |
| 138 | V | 92 | Very high | 94 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -46.5 | 119.5 | -177.5 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | E93 M95 M105 R171 V172 L288 | E93-V138 PolarHBondContact O-N 3.37Å; E93-V138 VanDerWaalsContact O-N 3.15Å; M95-V138 HydrophobicContact CB-CG2 4.22Å; M95-V138 HydrophobicContact CE-CB 4.28Å; M95-V138 HydrophobicContact CE-CG1 3.91Å; M95-V138 HydrophobicContact CE-CG2 4.05Å; M105-V138 HydrophobicContact CB-CG2 4.16Å; M105-V138 HydrophobicContact CG-CG2 3.85Å; M105-V138 HydrophobicContact SD-CG2 3.74Å; V138-R171 WeakPolarHBondContact O-CA 3.46Å; V138-V172 HydrophobicContact CB-CG2 3.96Å; V138-V172 HydrophobicContact CG1-CG1 4.05Å; V138-V172 HydrophobicContact CG1-CG2 3.84Å; V138-V172 WeakPolarHBondContact O-CG2 3.3Å; V138-V172 PolarHBondContact O-N 3.03Å; V138-L288 HydrophobicContact CG1-CD1 4.06Å; V138-L288 HydrophobicContact CG1-CD2 3.96Å |
| 139 | D | 93.8 | Very high | 94.4 | Very high | 35 Ų | 35 | 36.4 Ų | 36.4 | 19% | 0.187 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 160.3 | 179.4 | 72.7 | -5.8 | 0 | 0 | 0 | 111.1 | I137 R169 R170 R171 | I137-D139 PolarHBondContact O-N 3.2Å; I137-D139 VanDerWaalsContact O-N 3.08Å; D139-R169 VanDerWaalsContact CG-NE 3.26Å; D139-R169 PolarHBondContact O-NH2 2.6Å; D139-R169 IonicContact OD1-CZ 2.69Å; D139-R169 VanDerWaalsContact OD1-CZ 3.25Å; D139-R169 IonicContact OD1-NE 2.69Å; D139-R169 PolarHBondContact OD1-NE 3.42Å; D139-R169 IonicContact OD1-NH2 3.93Å; D139-R169 PolarHBondContact OD1-NH2 3.16Å; D139-R169 WeakPolarHBondContact OD2-CB 3.36Å; D139-R169 IonicContact OD2-NE 3.45Å; D139-R169 PolarHBondContact OD2-NE 3.42Å; D139-R170 CarbonylContact C-O 3.58Å; D139-R170 VanDerWaalsContact CA-O 3.28Å; D139-R170 WeakPolarHBondContact CA-O 3.3Å; D139-R170 WeakPolarHBondContact CB-O 3.34Å; D139-R171 HydrophobicContact CB-CG 4.47Å |
| 140 | V | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 150.4 | 179.9 | -67.1 | 0 | 0 | 0 | 0 | 110.6 | V142 R169 R170 V172 M296 | V140-V142 HydrophobicContact CG2-CG1 4.36Å; V140-R169 CarbonylContact O-C 3.57Å; V140-R169 VanDerWaalsContact O-CA 3.32Å; V140-R169 WeakPolarHBondContact O-CA 3.38Å; V140-R170 PolarHBondContact N-O 2.89Å; V140-R170 PolarHBondContact O-N 2.95Å; V140-V172 HydrophobicContact CB-CG1 4.42Å; V140-V172 HydrophobicContact CG1-CG1 3.7Å; V140-V172 HydrophobicContact CG2-CG1 4.02Å; V140-M296 HydrophobicContact CB-CE 4.33Å; V140-M296 HydrophobicContact CG2-CE 4.38Å |
| 141 | P | 96.7 | Very high | 94.9 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 8% | 0.084 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 138.6 | 169.8 | 27.1 | -33.8 | 0 | 0 | 0 | 110.4 | G155 T168 | P141-G155 WeakPolarHBondContact CG-O 3.47Å; P141-T168 WeakPolarHBondContact CA-O 3.37Å |
| 142 | V | 97.1 | Very high | 95 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 152.1 | 176.4 | -61.5 | 0 | 0 | 0 | 0 | 109.9 | V140 L146 S166 T168 R170 M296 Y299 | V140-V142 HydrophobicContact CG2-CG1 4.36Å; V142-L146 VanDerWaalsContact C-CD1 3.49Å; V142-S166 PolarHBondContact N-OG 2.98Å; V142-S166 PolarHBondContact O-OG 3.46Å; V142-T168 HydrophobicContact CG2-CG2 3.98Å; V142-T168 PolarHBondContact N-O 2.88Å; V142-R170 HydrophobicContact CG1-CB 3.81Å; V142-R170 HydrophobicContact CG2-CB 3.9Å; V142-M296 HydrophobicContact CG1-CG 4.35Å; V142-Y299 HydrophobicContact CB-CD2 4.31Å; V142-Y299 HydrophobicContact CB-CG 4.39Å; V142-Y299 HydrophobicContact CG2-CD2 3.97Å |
| 143 | G | 96 | Very high | 95 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 145.7 | 175.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E145 L146 | G143-E145 WeakPolarHBondContact CA-OE2 3.31Å; G143-E145 PolarHBondContact O-N 3.21Å; G143-L146 WeakPolarHBondContact O-CD1 3.25Å |
| 144 | E | 95.9 | Very high | 95.1 | Very high | 81 Ų | 81 | 25.9 Ų | 25.9 | 38% | 0.379 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -73.9 | -19.9 | 176.5 | -64 | -173.3 | -165.4 | 0 | 0 | 112 | L146 L147 Y299 F300 K305 | E144-L146 PolarHBondContact O-N 3.01Å; E144-L146 VanDerWaalsContact O-N 3.09Å; E144-L147 HydrophobicContact CB-CD1 4.15Å; E144-L147 HydrophobicContact CG-CD1 4.49Å; E144-L147 VanDerWaalsContact O-CB 3.27Å; E144-L147 WeakPolarHBondContact O-CB 3.37Å; E144-L147 VanDerWaalsContact O-CG 3.26Å; E144-L147 WeakPolarHBondContact O-CG 3.32Å; E144-L147 PolarHBondContact O-N 2.94Å; E144-Y299 HydrophobicContact CG-CE1 4.05Å; E144-F300 HydrophobicContact CG-CE1 4.08Å; E144-K305 IonicContact OE1-NZ 3.39Å; E144-K305 PolarHBondContact OE1-NZ 3.35Å; E144-K305 IonicContact OE2-NZ 2.6Å |
| 145 | E | 96.1 | Very high | 95.3 | Very high | 83 Ų | 83 | 23.2 Ų | 23.2 | 39% | 0.388 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -64.5 | -13.9 | 178 | -56 | 85.7 | 170.3 | 0 | 0 | 112.9 | G143 I164 | G143-E145 WeakPolarHBondContact CA-OE2 3.31Å; G143-E145 PolarHBondContact O-N 3.21Å; E145-I164 HydrophobicContact CB-CG2 4.36Å |
| 146 | L | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -84.4 | -14.1 | 173.8 | -68.6 | 100 | 0 | 0 | 0 | 113.3 | V142 G143 E144 G148 R149 V151 I164 I273 M296 | V142-L146 VanDerWaalsContact C-CD1 3.49Å; G143-L146 WeakPolarHBondContact O-CD1 3.25Å; E144-L146 PolarHBondContact O-N 3.01Å; E144-L146 VanDerWaalsContact O-N 3.09Å; L146-G148 PolarHBondContact O-N 3.2Å; L146-R149 VanDerWaalsContact O-CB 3.23Å; L146-R149 WeakPolarHBondContact O-CB 3.1Å; L146-R149 WeakPolarHBondContact O-CG 3.45Å; L146-R149 PolarHBondContact O-N 3.03Å; L146-R149 VanDerWaalsContact O-N 3.08Å; L146-V151 HydrophobicContact CD2-CG1 4.35Å; L146-I164 HydrophobicContact CG-CG2 4.16Å; L146-I273 HydrophobicContact CB-CD1 3.68Å; L146-I273 HydrophobicContact CB-CG1 4.08Å; L146-I273 HydrophobicContact CB-CG2 4.2Å; L146-M296 HydrophobicContact CD2-CE 3.73Å; L146-M296 HydrophobicContact CD2-CG 4.21Å; L146-M296 HydrophobicContact CD2-SD 3.81Å |
| 147 | L | 97.2 | Very high | 95.9 | Very high | 36 Ų | 36 | 24.8 Ų | 24.8 | 19% | 0.188 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 132.6 | 179.3 | -64.3 | 174 | 0 | 0 | 0 | 110.3 | E144 R149 Y243 I273 F300 | E144-L147 HydrophobicContact CB-CD1 4.15Å; E144-L147 HydrophobicContact CG-CD1 4.49Å; E144-L147 VanDerWaalsContact O-CB 3.27Å; E144-L147 WeakPolarHBondContact O-CB 3.37Å; E144-L147 VanDerWaalsContact O-CG 3.26Å; E144-L147 WeakPolarHBondContact O-CG 3.32Å; E144-L147 PolarHBondContact O-N 2.94Å; L147-R149 PolarHBondContact O-N 2.86Å; L147-Y243 HydrophobicContact CD1-CD1 3.8Å; L147-Y243 HydrophobicContact CD1-CE1 3.75Å; L147-Y243 HydrophobicContact CD2-CD1 3.85Å; L147-I273 HydrophobicContact CD2-CD1 4.36Å; L147-I273 HydrophobicContact CD2-CG1 3.97Å; L147-F300 HydrophobicContact CD1-CE1 4.41Å; L147-F300 HydrophobicContact CD1-CZ 4.42Å; L147-F300 HydrophobicContact CD2-CE1 4.35Å; L147-F300 HydrophobicContact CD2-CZ 3.73Å; L147-F300 HydrophobicContact CG-CZ 4.16Å |
| 148 | G | 96.9 | Very high | 96 | Very high | 10 Ų | 10 | 27.5 Ų | 27.5 | 10% | 0.103 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 6.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L146 K161 M269 T272 | L146-G148 PolarHBondContact O-N 3.2Å; G148-K161 PolarHBondContact O-NZ 2.9Å; G148-M269 WeakPolarHBondContact CA-O 3.46Å; G148-M269 PolarHBondContact N-O 2.69Å; G148-M269 VanDerWaalsContact N-O 3.16Å; G148-T272 PolarHBondContact N-O 3.31Å |
| 149 | R | 97.9 | Very high | 96.1 | Very high | 27 Ų | 27 | 29.4 Ų | 29.4 | 10% | 0.102 | 16% | 0.159 | C | C | . | . | trans | -103.4 | 152.9 | 179.1 | -51 | -56.8 | -56.7 | -87.4 | -4.1 | 112 | L146 L147 V151 A157 D159 G162 P163 I164 V274 | L146-R149 VanDerWaalsContact O-CB 3.23Å; L146-R149 WeakPolarHBondContact O-CB 3.1Å; L146-R149 WeakPolarHBondContact O-CG 3.45Å; L146-R149 PolarHBondContact O-N 3.03Å; L146-R149 VanDerWaalsContact O-N 3.08Å; L147-R149 PolarHBondContact O-N 2.86Å; R149-V151 HydrophobicContact CB-CG1 4.44Å; R149-A157 VanDerWaalsContact NH2-CB 3.3Å; R149-D159 VanDerWaalsContact CA-OD2 3.27Å; R149-D159 WeakPolarHBondContact CA-OD2 3.36Å; R149-D159 IonicContact CZ-OD1 2.67Å; R149-D159 IonicContact CZ-OD2 2.78Å; R149-D159 IonicContact NE-OD1 3.83Å; R149-D159 IonicContact NE-OD2 3.94Å; R149-D159 PolarHBondContact NE-OD2 3.24Å; R149-D159 IonicContact NH2-OD1 3.49Å; R149-D159 PolarHBondContact NH2-OD1 3.18Å; R149-D159 IonicContact NH2-OD2 2.96Å; R149-G162 PolarHBondContact NH2-O 2.98Å; R149-P163 PolarHBondContact NH1-O 3.26Å; R149-I164 HydrophobicContact CB-CD1 4.48Å; R149-V274 PolarHBondContact O-N 3.44Å; R149-V274 VanDerWaalsContact O-N 3.11Å | ||
| 150 | V | 98.1 | Very high | 96.1 | Very high | 15 Ų | 15 | 31.4 Ų | 31.4 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 124.3 | 166.7 | -167.4 | 0 | 0 | 0 | 0 | 108.4 | I158 D159 V260 V274 | V150-I158 HydrophobicContact CB-CG1 4.21Å; V150-I158 HydrophobicContact CG1-CD1 3.96Å; V150-I158 HydrophobicContact CG1-CG1 3.82Å; V150-I158 WeakPolarHBondContact O-CG1 3.32Å; V150-I158 PolarHBondContact O-N 3.44Å; V150-D159 HydrophobicContact CB-CB 3.93Å; V150-D159 HydrophobicContact CG2-CB 4.06Å; V150-D159 PolarHBondContact N-OD2 3.31Å; V150-V260 HydrophobicContact CG2-CG1 4.13Å; V150-V260 HydrophobicContact CG2-CG2 3.87Å; V150-V274 CarbonylContact C-O 3.56Å; V150-V274 WeakPolarHBondContact CA-O 3.34Å; V150-V274 HydrophobicContact CB-CB 4.45Å; V150-V274 HydrophobicContact CG1-CB 4.06Å; V150-V274 HydrophobicContact CG1-CG1 3.97Å; V150-V274 HydrophobicContact CG2-CB 4.21Å |
| 151 | V | 98 | Very high | 96 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 153.7 | -175.7 | -60 | 0 | 0 | 0 | 0 | 112.2 | L146 R149 N156 I164 I273 V274 V275 S276 M296 | L146-V151 HydrophobicContact CD2-CG1 4.35Å; R149-V151 HydrophobicContact CB-CG1 4.44Å; V151-N156 CarbonylContact C-O 3.55Å; V151-N156 WeakPolarHBondContact CA-O 3.04Å; V151-N156 WeakPolarHBondContact CB-O 3.39Å; V151-I164 HydrophobicContact CG1-CD1 3.28Å; V151-I273 HydrophobicContact CG2-CG2 4.43Å; V151-V274 PolarHBondContact N-O 2.88Å; V151-V275 HydrophobicContact CG2-CB 4.41Å; V151-V275 HydrophobicContact CG2-CG2 3.9Å; V151-V275 CarbonylContact O-C 3.48Å; V151-V275 WeakPolarHBondContact O-CA 3.35Å; V151-S276 PolarHBondContact O-N 2.98Å; V151-M296 HydrophobicContact CG2-CE 3.82Å; V151-M296 HydrophobicContact CG2-SD 4.13Å |
| 152 | D | 96.4 | Very high | 95.8 | Very high | 35 Ų | 35 | 39.1 Ų | 39.1 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | trans | -77.3 | -179.3 | 169.7 | 72.4 | 12.4 | 0 | 0 | 0 | 112.1 | L154 G155 N156 I158 S276 | D152-L154 PolarHBondContact O-N 3.47Å; D152-L154 WeakPolarHBondContact OD1-CA 3.5Å; D152-L154 PolarHBondContact OD1-N 3.49Å; D152-G155 PolarHBondContact O-N 3.01Å; D152-G155 PolarHBondContact OD1-N 3.15Å; D152-N156 PolarHBondContact N-O 3.07Å; D152-N156 PolarHBondContact OD1-N 3.22Å; D152-N156 PolarHBondContact OD1-ND2 3.23Å; D152-N156 WeakPolarHBondContact OD2-CB 3.34Å; D152-N156 PolarHBondContact OD2-ND2 2.94Å; D152-I158 HydrophobicContact CB-CG2 4.04Å; D152-S276 WeakPolarHBondContact CA-O 3.32Å | ||
| 153 | A | 95.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -15.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | A277 L285 L288 A289 S292 | A153-A277 HydrophobicContact CB-CB 4.5Å; A153-L285 HydrophobicContact CB-CB 4.14Å; A153-L285 HydrophobicContact CB-CD2 3.95Å; A153-L285 WeakPolarHBondContact CB-O 3.42Å; A153-L288 HydrophobicContact CB-CB 4.4Å; A153-A289 HydrophobicContact CB-CB 3.92Å; A153-S292 VanDerWaalsContact O-CB 3.29Å; A153-S292 WeakPolarHBondContact O-CB 2.79Å; A153-S292 PolarHBondContact O-OG 3.5Å |
| 154 | L | 94.3 | Very high | 95.4 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -2.4 | 175.6 | -60.9 | 177.2 | 0 | 0 | 0 | 112.1 | M95 F119 D152 L285 L288 | M95-L154 HydrophobicContact CE-CD2 4.12Å; F119-L154 HydrophobicContact CB-CD1 4.38Å; F119-L154 HydrophobicContact CD2-CD1 4.45Å; F119-L154 HydrophobicContact CD2-CD2 4.07Å; F119-L154 HydrophobicContact CE2-CD2 4.17Å; D152-L154 PolarHBondContact O-N 3.47Å; D152-L154 WeakPolarHBondContact OD1-CA 3.5Å; D152-L154 PolarHBondContact OD1-N 3.49Å; L154-L285 HydrophobicContact CD1-CD2 4.34Å; L154-L285 HydrophobicContact CD2-CD2 4.48Å; L154-L285 HydrophobicContact CG-CD2 4.02Å; L154-L288 HydrophobicContact CD2-CD2 3.69Å |
| 155 | G | 94.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 82.8 | 16 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P141 D152 | P141-G155 WeakPolarHBondContact CG-O 3.47Å; D152-G155 PolarHBondContact O-N 3.01Å; D152-G155 PolarHBondContact OD1-N 3.15Å |
| 156 | N | 94.9 | Very high | 94.8 | Very high | 85 Ų | 85 | 42.6 Ų | 42.6 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | trans | -78.6 | 142.5 | 171.9 | -49.7 | -58.8 | 0 | 0 | 0 | 110.1 | V151 D152 | V151-N156 CarbonylContact C-O 3.55Å; V151-N156 WeakPolarHBondContact CA-O 3.04Å; V151-N156 WeakPolarHBondContact CB-O 3.39Å; D152-N156 PolarHBondContact N-O 3.07Å; D152-N156 PolarHBondContact OD1-N 3.22Å; D152-N156 PolarHBondContact OD1-ND2 3.23Å; D152-N156 WeakPolarHBondContact OD2-CB 3.34Å; D152-N156 PolarHBondContact OD2-ND2 2.94Å | ||
| 157 | A | 96.6 | Very high | 94.4 | Very high | 36 Ų | 36 | 51.5 Ų | 51.5 | 30% | 0.298 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -69 | 132 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | R149 G162 I164 | R149-A157 VanDerWaalsContact NH2-CB 3.3Å; A157-G162 WeakPolarHBondContact CB-O 3.43Å; A157-I164 HydrophobicContact CB-CD1 4.09Å; A157-I164 HydrophobicContact CB-CG1 4.05Å |
| 158 | I | 95.9 | Very high | 94.3 | Very high | 91 Ų | 91 | 53.3 Ų | 53.3 | 47% | 0.467 | 33% | 0.328 | S | S | . | . | trans | -123.1 | 8.4 | 176.8 | 62.6 | 170.6 | 0 | 0 | 0 | 112.8 | V150 D152 | V150-I158 HydrophobicContact CB-CG1 4.21Å; V150-I158 HydrophobicContact CG1-CD1 3.96Å; V150-I158 HydrophobicContact CG1-CG1 3.82Å; V150-I158 WeakPolarHBondContact O-CG1 3.32Å; V150-I158 PolarHBondContact O-N 3.44Å; D152-I158 HydrophobicContact CB-CG2 4.04Å | ||
| 159 | D | 94.2 | Very high | 94.2 | Very high | 40 Ų | 40 | 59 Ų | 59 | 21% | 0.214 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -90.2 | -3.4 | -179.6 | 56.2 | 16.6 | 0 | 0 | 0 | 114.6 | R149 V150 K161 | R149-D159 VanDerWaalsContact CA-OD2 3.27Å; R149-D159 WeakPolarHBondContact CA-OD2 3.36Å; R149-D159 IonicContact CZ-OD1 2.67Å; R149-D159 IonicContact CZ-OD2 2.78Å; R149-D159 IonicContact NE-OD1 3.83Å; R149-D159 IonicContact NE-OD2 3.94Å; R149-D159 PolarHBondContact NE-OD2 3.24Å; R149-D159 IonicContact NH2-OD1 3.49Å; R149-D159 PolarHBondContact NH2-OD1 3.18Å; R149-D159 IonicContact NH2-OD2 2.96Å; V150-D159 HydrophobicContact CB-CB 3.93Å; V150-D159 HydrophobicContact CG2-CB 4.06Å; V150-D159 PolarHBondContact N-OD2 3.31Å; D159-K161 HydrophobicContact CB-CG 4.36Å; D159-K161 PolarHBondContact O-N 3Å; D159-K161 WeakPolarHBondContact OD1-CB 3.41Å; D159-K161 PolarHBondContact OD1-N 2.88Å |
| 160 | G | 93.3 | Very high | 94 | Very high | 78 Ų | 78 | 60.6 Ų | 60.6 | 80% | 0.804 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 73.2 | 7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G162 | G160-G162 PolarHBondContact O-N 3.4Š|
| 161 | K | 92.9 | Very high | 93.9 | Very high | 137 Ų | 137 | 66.3 Ų | 66.3 | 60% | 0.596 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -86.3 | 18.6 | 179.9 | -59.6 | 179.7 | -177.5 | 175.2 | 0 | 113.8 | G148 D159 | G148-K161 PolarHBondContact O-NZ 2.9Å; D159-K161 HydrophobicContact CB-CG 4.36Å; D159-K161 PolarHBondContact O-N 3Å; D159-K161 WeakPolarHBondContact OD1-CB 3.41Å; D159-K161 PolarHBondContact OD1-N 2.88Å |
| 162 | G | 92.8 | Very high | 93.8 | Very high | 38 Ų | 38 | 66.7 Ų | 66.7 | 39% | 0.392 | 38% | 0.375 | S | S | . | . | trans | 82.5 | -174.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | R149 A157 G160 | R149-G162 PolarHBondContact NH2-O 2.98Å; A157-G162 WeakPolarHBondContact CB-O 3.43Å; G160-G162 PolarHBondContact O-N 3.4Å | ||
| 163 | P | 92.6 | Very high | 93.4 | Very high | 122 Ų | 122 | 67 Ų | 67 | 79% | 0.792 | 39% | 0.386 | S | S | * | . | trans | -68.2 | 166.3 | -177.8 | 27.8 | -34 | 0 | 0 | 0 | 112.9 | R149 | R149-P163 PolarHBondContact NH1-O 3.26Š| ||
| 164 | I | 93.1 | Very high | 93.2 | Very high | 33 Ų | 33 | 69.7 Ų | 69.7 | 17% | 0.169 | 40% | 0.4 | C | S | . | . | trans | -100.6 | 122.2 | 176.6 | -62.8 | 172.2 | 0 | 0 | 0 | 108.4 | E145 L146 R149 V151 A157 S166 | E145-I164 HydrophobicContact CB-CG2 4.36Å; L146-I164 HydrophobicContact CG-CG2 4.16Å; R149-I164 HydrophobicContact CB-CD1 4.48Å; V151-I164 HydrophobicContact CG1-CD1 3.28Å; A157-I164 HydrophobicContact CB-CD1 4.09Å; A157-I164 HydrophobicContact CB-CG1 4.05Å; I164-S166 PolarHBondContact O-N 2.94Å; I164-S166 VanDerWaalsContact O-N 3.14Å | ||
| 165 | G | 89 | Confident | 93.2 | Very high | 60 Ų | 60 | 78.2 Ų | 78.2 | 62% | 0.619 | 44% | 0.436 | S | S | * | . | trans | -81.9 | 29.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | K167 | G165-K167 PolarHBondContact O-N 3.33Š| ||
| 166 | S | 89.4 | Confident | 93.3 | Very high | 25 Ų | 25 | 79.2 Ų | 79.2 | 18% | 0.175 | 44% | 0.444 | C | S | . | . | trans | -66.4 | 132.7 | -179.6 | 165.1 | 0 | 0 | 0 | 0 | 110.2 | V142 I164 T168 | V142-S166 PolarHBondContact N-OG 2.98Å; V142-S166 PolarHBondContact O-OG 3.46Å; I164-S166 PolarHBondContact O-N 2.94Å; I164-S166 VanDerWaalsContact O-N 3.14Å; S166-T168 PolarHBondContact OG-O 3.31Å; S166-T168 VanDerWaalsContact OG-O 3.09Å | ||
| 167 | K | 89.9 | Confident | 93.3 | Very high | 187 Ų | 187 | 76 Ų | 76 | 81% | 0.813 | 43% | 0.428 | S | S | * | . | trans | -90.1 | -16.9 | -178.2 | -59.5 | 179.4 | -175.5 | 175.1 | 0 | 113.4 | G165 | G165-K167 PolarHBondContact O-N 3.33Š| ||
| 168 | T | 94.4 | Very high | 93.2 | Very high | 75 Ų | 75 | 76.3 Ų | 76.3 | 46% | 0.46 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 135.1 | -169.9 | -51.7 | 0 | 0 | 0 | 0 | 109.9 | P141 V142 S166 | P141-T168 WeakPolarHBondContact CA-O 3.37Å; V142-T168 HydrophobicContact CG2-CG2 3.98Å; V142-T168 PolarHBondContact N-O 2.88Å; S166-T168 PolarHBondContact OG-O 3.31Å; S166-T168 VanDerWaalsContact OG-O 3.09Å |
| 169 | R | 94.1 | Very high | 93.2 | Very high | 129 Ų | 129 | 79.6 Ų | 79.6 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 148.5 | 171.2 | -58.6 | -177 | 67.4 | 79.8 | 1.9 | 109.8 | D139 V140 | D139-R169 VanDerWaalsContact CG-NE 3.26Å; D139-R169 PolarHBondContact O-NH2 2.6Å; D139-R169 IonicContact OD1-CZ 2.69Å; D139-R169 VanDerWaalsContact OD1-CZ 3.25Å; D139-R169 IonicContact OD1-NE 2.69Å; D139-R169 PolarHBondContact OD1-NE 3.42Å; D139-R169 IonicContact OD1-NH2 3.93Å; D139-R169 PolarHBondContact OD1-NH2 3.16Å; D139-R169 WeakPolarHBondContact OD2-CB 3.36Å; D139-R169 IonicContact OD2-NE 3.45Å; D139-R169 PolarHBondContact OD2-NE 3.42Å; V140-R169 CarbonylContact O-C 3.57Å; V140-R169 VanDerWaalsContact O-CA 3.32Å; V140-R169 WeakPolarHBondContact O-CA 3.38Å |
| 170 | R | 95 | Very high | 93.3 | Very high | 60 Ų | 60 | 84.8 Ų | 84.8 | 23% | 0.226 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136 | 179.8 | -166 | 169.1 | -173.7 | 173.2 | -1.4 | 110.4 | D139 V140 V142 L174 E298 D302 | D139-R170 CarbonylContact C-O 3.58Å; D139-R170 VanDerWaalsContact CA-O 3.28Å; D139-R170 WeakPolarHBondContact CA-O 3.3Å; D139-R170 WeakPolarHBondContact CB-O 3.34Å; V140-R170 PolarHBondContact N-O 2.89Å; V140-R170 PolarHBondContact O-N 2.95Å; V142-R170 HydrophobicContact CG1-CB 3.81Å; V142-R170 HydrophobicContact CG2-CB 3.9Å; R170-L174 HydrophobicContact CG-CD1 3.6Å; R170-E298 IonicContact CZ-OE2 3.79Å; R170-E298 IonicContact NH2-OE2 2.83Å; R170-D302 IonicContact CZ-OD2 2.81Å; R170-D302 IonicContact NH1-OD2 2.85Å; R170-D302 PolarHBondContact NH1-OD2 3.25Å; R170-D302 IonicContact NH2-OD2 3.41Å; R170-D302 PolarHBondContact NH2-OD2 3.27Å |
| 171 | R | 95.8 | Very high | 93.5 | Very high | 135 Ų | 135 | 82.2 Ų | 82.2 | 51% | 0.509 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 138.7 | 175.5 | -66.9 | -179.9 | -175.3 | 173.3 | -0 | 110.1 | V138 D139 L174 S295 | V138-R171 WeakPolarHBondContact O-CA 3.46Å; D139-R171 HydrophobicContact CB-CG 4.47Å; R171-L174 HydrophobicContact CB-CD2 4.22Å; R171-L174 HydrophobicContact CB-CG 4.31Å; R171-S295 PolarHBondContact O-OG 3.35Å |
| 172 | V | 94.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 78.9 Ų | 78.9 | 6% | 0.055 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -73.2 | -29.6 | -178.5 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | V138 V140 L288 S295 R351 | V138-V172 HydrophobicContact CB-CG2 3.96Å; V138-V172 HydrophobicContact CG1-CG1 4.05Å; V138-V172 HydrophobicContact CG1-CG2 3.84Å; V138-V172 WeakPolarHBondContact O-CG2 3.3Å; V138-V172 PolarHBondContact O-N 3.03Å; V140-V172 HydrophobicContact CB-CG1 4.42Å; V140-V172 HydrophobicContact CG1-CG1 3.7Å; V140-V172 HydrophobicContact CG2-CG1 4.02Å; V172-L288 HydrophobicContact CB-CD1 4.26Å; V172-L288 HydrophobicContact CG1-CD1 4.34Å; V172-L288 HydrophobicContact CG2-CD1 3.78Å; V172-S295 WeakPolarHBondContact CA-OG 3.36Å; V172-S295 PolarHBondContact O-OG 3Å; V172-R351 PolarHBondContact O-NH1 2.71Å; V172-R351 PolarHBondContact O-NH2 3.42Å |
| 173 | G | 88.9 | Confident | 93.9 | Very high | 41 Ų | 41 | 80.6 Ų | 80.6 | 42% | 0.423 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -99.8 | 46.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 174 | L | 91.8 | Very high | 94.1 | Very high | 57 Ų | 57 | 78.5 Ų | 78.5 | 30% | 0.298 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 147.7 | 177.9 | -69.4 | 174.6 | 0 | 0 | 0 | 112.7 | R170 R171 | R170-L174 HydrophobicContact CG-CD1 3.6Å; R171-L174 HydrophobicContact CB-CD2 4.22Å; R171-L174 HydrophobicContact CB-CG 4.31Å |
| 175 | K | 94.2 | Very high | 94.2 | Very high | 201 Ų | 201 | 78.1 Ų | 78.1 | 87% | 0.874 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 137.1 | 175 | -170 | 179.2 | 179.2 | 178.2 | 0 | 110.1 | ||
| 176 | A | 95.5 | Very high | 94.4 | Very high | 24 Ų | 24 | 84 Ų | 84 | 20% | 0.198 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 150.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G178 E350 R351 | A176-G178 PolarHBondContact O-N 2.91Å; A176-E350 HydrophobicContact CB-CB 3.92Å; A176-E350 WeakPolarHBondContact CB-O 3.17Å; A176-R351 HydrophobicContact CB-CG 3.95Å |
| 177 | P | 95.6 | Very high | 94.6 | Very high | 17 Ų | 17 | 86.1 Ų | 86.1 | 11% | 0.11 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 137.8 | 173.9 | 24.9 | -32 | 0 | 0 | 0 | 110 | R182 A353 M355 | P177-R182 VanDerWaalsContact O-CZ 3.27Å; P177-R182 PolarHBondContact O-NE 3.18Å; P177-R182 PolarHBondContact O-NH2 3.23Å; P177-A353 HydrophobicContact CG-CB 3.98Å; P177-M355 HydrophobicContact CB-CE 4.12Å; P177-M355 HydrophobicContact CB-SD 4.06Å; P177-M355 HydrophobicContact CG-SD 4.17Å |
| 178 | G | 95.1 | Very high | 94.9 | Very high | 44 Ų | 44 | 79 Ų | 79 | 45% | 0.454 | 40% | 0.401 | S | S | . | . | trans | -67.6 | -170.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A176 P181 R182 | A176-G178 PolarHBondContact O-N 2.91Å; G178-P181 WeakPolarHBondContact O-CD 3.32Å; G178-R182 WeakPolarHBondContact O-CD 3.37Å; G178-R182 VanDerWaalsContact O-CG 3.3Å; G178-R182 WeakPolarHBondContact O-CG 3.45Å; G178-R182 PolarHBondContact O-NE 3.37Å | ||
| 179 | I | 95.8 | Very high | 95 | Very high | 159 Ų | 159 | 75.6 Ų | 75.6 | 82% | 0.815 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -70.5 | -45.4 | -179.3 | -60.3 | 173 | 0 | 0 | 0 | 111.4 | R182 | I179-R182 PolarHBondContact O-N 3.33Å; I179-R182 VanDerWaalsContact O-N 3.12Å |
| 180 | I | 96.4 | Very high | 95.1 | Very high | 149 Ų | 149 | 70.5 Ų | 70.5 | 76% | 0.764 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -43.1 | -173.8 | -59.5 | 171.6 | 0 | 0 | 0 | 113.4 | R182 N356 | I180-R182 PolarHBondContact O-N 2.85Å; I180-N356 PolarHBondContact O-ND2 3.4Å |
| 181 | P | 96.3 | Very high | 95.2 | Very high | 24 Ų | 24 | 67.7 Ų | 67.7 | 16% | 0.156 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.6 | 178.6 | -22.6 | 36.2 | 0 | 0 | 0 | 114.9 | G178 M355 N356 F359 | G178-P181 WeakPolarHBondContact O-CD 3.32Å; P181-M355 HydrophobicContact CB-CE 3.55Å; P181-M355 WeakPolarHBondContact O-CA 3.36Å; P181-N356 PolarHBondContact O-N 2.9Å; P181-N356 PolarHBondContact O-ND2 2.9Å; P181-F359 HydrophobicContact CB-CD1 4.38Å; P181-F359 HydrophobicContact CB-CD2 3.73Å; P181-F359 HydrophobicContact CB-CE1 4.45Å; P181-F359 HydrophobicContact CB-CE2 3.84Å; P181-F359 HydrophobicContact CB-CG 4.04Å; P181-F359 HydrophobicContact CB-CZ 4.2Å; P181-F359 HydrophobicContact CG-CD2 4.43Å; P181-F359 HydrophobicContact CG-CE1 4.46Å; P181-F359 HydrophobicContact CG-CE2 4.03Å; P181-F359 HydrophobicContact CG-CZ 4.05Å |
| 182 | R | 97.1 | Very high | 95.2 | Very high | 68 Ų | 68 | 61.3 Ų | 61.3 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -89.1 | 160.1 | -176.6 | -62.6 | 177.9 | -168.5 | -160 | 4.1 | 111.4 | P177 G178 I179 I180 E350 A353 K354 | P177-R182 VanDerWaalsContact O-CZ 3.27Å; P177-R182 PolarHBondContact O-NE 3.18Å; P177-R182 PolarHBondContact O-NH2 3.23Å; G178-R182 WeakPolarHBondContact O-CD 3.37Å; G178-R182 VanDerWaalsContact O-CG 3.3Å; G178-R182 WeakPolarHBondContact O-CG 3.45Å; G178-R182 PolarHBondContact O-NE 3.37Å; I179-R182 PolarHBondContact O-N 3.33Å; I179-R182 VanDerWaalsContact O-N 3.12Å; I180-R182 PolarHBondContact O-N 2.85Å; R182-E350 IonicContact CZ-OE2 3.08Å; R182-E350 IonicContact NH1-OE2 3.41Å; R182-E350 PolarHBondContact NH1-OE2 3.34Å; R182-E350 PolarHBondContact NH2-O 2.74Å; R182-E350 IonicContact NH2-OE2 3.97Å; R182-E350 PolarHBondContact NH2-OE2 3.39Å; R182-A353 HydrophobicContact CG-CB 4.04Å; R182-K354 VanDerWaalsContact CA-O 3.32Å; R182-K354 WeakPolarHBondContact CA-O 3.48Å |
| 183 | I | 97 | Very high | 95.4 | Very high | 74 Ų | 74 | 61 Ų | 61 | 38% | 0.379 | 33% | 0.325 | S | S | . | . | trans | -133 | 156.5 | 168.6 | -168.7 | 168 | 0 | 0 | 0 | 110 | K354 M355 N356 | I183-K354 HydrophobicContact CG2-CB 4.2Å; I183-K354 HydrophobicContact CG2-CG 3.49Å; I183-K354 VanDerWaalsContact CG2-CG 3.49Å; I183-K354 PolarHBondContact N-O 3.47Å; I183-M355 WeakPolarHBondContact CG2-O 3.23Å; I183-N356 HydrophobicContact CB-CB 4.16Å | ||
| 184 | S | 96.6 | Very high | 95.7 | Very high | 78 Ų | 78 | 59.1 Ų | 59.1 | 55% | 0.545 | 31% | 0.305 | S | S | . | . | trans | -58.2 | 137.7 | 175 | -52.2 | 0 | 0 | 0 | 0 | 111.9 | R186 | S184-R186 PolarHBondContact O-N 3.21Š| ||
| 185 | V | 96.8 | Very high | 95.9 | Very high | 24 Ų | 24 | 56.6 Ų | 56.6 | 15% | 0.145 | 29% | 0.293 | C | S | . | . | trans | -71 | 119 | 176.6 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | G203 R204 K354 V417 | V185-G203 VanDerWaalsContact CG1-CA 3.5Å; V185-R204 WeakPolarHBondContact CG1-O 3.46Å; V185-K354 HydrophobicContact CG2-CB 4.34Å; V185-V417 HydrophobicContact CB-CG1 4.24Å; V185-V417 HydrophobicContact CG1-CG1 4.21Å | ||
| 186 | R | 92.5 | Very high | 96 | Very high | 184 Ų | 184 | 47 Ų | 47 | 69% | 0.694 | 25% | 0.251 | S | S | * | . | trans | -134.8 | -3.1 | -179.5 | -62.2 | 178.8 | -179.6 | 173.7 | 1.1 | 113.8 | S184 A420 | S184-R186 PolarHBondContact O-N 3.21Å; R186-A420 CarbonylContact C-O 3.58Å; R186-A420 WeakPolarHBondContact CA-O 3.34Å | ||
| 187 | E | 93.6 | Very high | 96 | Very high | 69 Ų | 69 | 46.3 Ų | 46.3 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -105.1 | 127.7 | -178 | -68.4 | 167.8 | -152.8 | 0 | 0 | 109.1 | G203 R204 H306 K354 | E187-G203 CarbonylContact O-C 3.44Å; E187-G203 VanDerWaalsContact O-CA 3.24Å; E187-G203 WeakPolarHBondContact O-CA 3.17Å; E187-R204 HydrophobicContact CB-CB 4.18Å; E187-R204 HydrophobicContact CB-CG 4.19Å; E187-R204 PolarHBondContact O-N 2.6Å; E187-R204 WeakPolarHBondContact OE2-CD 3.31Å; E187-H306 IonicContact OE2-CE1 3.57Å; E187-H306 PolarHBondContact OE2-CE1 2.83Å; E187-H306 IonicContact OE2-NE2 2.77Å; E187-K354 VanDerWaalsContact CD-CE 3.41Å; E187-K354 WeakPolarHBondContact OE1-CE 3.2Å; E187-K354 IonicContact OE1-NZ 2.84Å; E187-K354 PolarHBondContact OE1-NZ 2.88Å; E187-K354 VanDerWaalsContact OE1-NZ 3.08Å; E187-K354 WeakPolarHBondContact OE2-CE 3.39Å; E187-K354 IonicContact OE2-NZ 3.37Å |
| 188 | P | 95.9 | Very high | 96 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 25% | 0.253 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -68.7 | 140.8 | 178.3 | 26.9 | -33.6 | 0 | 0 | 0 | 111.7 | R204 A421 T423 | P188-R204 PolarHBondContact O-NE 2.8Å; P188-A421 WeakPolarHBondContact CA-O 3.5Å; P188-A421 VanDerWaalsContact CB-O 3.27Å; P188-A421 WeakPolarHBondContact CB-O 3.41Å; P188-T423 HydrophobicContact CG-CG2 4.05Å |
| 189 | M | 96.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | trans | -107.2 | 100.7 | 163.1 | -170.1 | -74.4 | -67.6 | 0 | 0 | 107 | T191 I202 R204 T225 L242 L308 T365 L367 | M189-T191 HydrophobicContact CE-CG2 4.11Å; M189-I202 WeakPolarHBondContact CA-O 3.37Å; M189-I202 HydrophobicContact CE-CB 3.88Å; M189-I202 HydrophobicContact CE-CD1 4Å; M189-I202 HydrophobicContact CE-CG2 3.61Å; M189-I202 PolarHBondContact N-O 2.91Å; M189-R204 HydrophobicContact CB-CG 4.07Å; M189-T225 HydrophobicContact CE-CG2 3.93Å; M189-T225 HydrophobicContact SD-CG2 3.73Å; M189-L242 HydrophobicContact CG-CD2 3.8Å; M189-L242 HydrophobicContact SD-CD2 4.18Å; M189-L308 HydrophobicContact CE-CD1 4.12Å; M189-L308 HydrophobicContact SD-CD2 4.46Å; M189-T365 HydrophobicContact CE-CG2 4.25Å; M189-T365 HydrophobicContact CG-CG2 4.36Å; M189-L367 HydrophobicContact CE-CD1 4.34Å; M189-L367 HydrophobicContact CE-CD2 4.46Å | ||
| 190 | Q | 96.1 | Very high | 96 | Very high | 22 Ų | 22 | 36.5 Ų | 36.5 | 10% | 0.103 | 18% | 0.182 | C | C | . | . | trans | -77.6 | 126.6 | -172.8 | -63.1 | 179 | -0.2 | 0 | 0 | 110.2 | N228 Q229 F232 | Q190-N228 PolarHBondContact O-ND2 3.04Å; Q190-Q229 PolarHBondContact O-NE2 3.31Å; Q190-F232 VanDerWaalsContact OE1-CZ 3.28Å | ||
| 191 | T | 97.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | trans | -86.8 | -22.9 | 176.7 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | M189 I193 V196 D197 I202 T225 N228 | M189-T191 HydrophobicContact CE-CG2 4.11Å; T191-I193 PolarHBondContact OG1-N 3.32Å; T191-V196 HydrophobicContact CG2-CB 4.43Å; T191-V196 HydrophobicContact CG2-CG1 3.78Å; T191-D197 WeakPolarHBondContact CB-OD1 3.38Å; T191-D197 PolarHBondContact N-OD1 2.87Å; T191-D197 PolarHBondContact N-OD2 2.83Å; T191-D197 PolarHBondContact OG1-OD1 3.21Å; T191-D197 PolarHBondContact OG1-OD2 2.99Å; T191-I202 HydrophobicContact CG2-CD1 3.86Å; T191-T225 HydrophobicContact CG2-CG2 4.1Å; T191-N228 VanDerWaalsContact O-CB 3.25Å; T191-N228 WeakPolarHBondContact O-CB 2.95Å | ||
| 192 | G | 96.1 | Very high | 96 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 79.2 | 6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D197 N228 Q473 P478 M479 | G192-D197 PolarHBondContact N-OD2 3.04Å; G192-N228 WeakPolarHBondContact CA-OD1 3.16Å; G192-N228 PolarHBondContact N-ND2 2.78Å; G192-Q473 PolarHBondContact O-NE2 3.45Å; G192-P478 WeakPolarHBondContact O-CA 3.2Å; G192-M479 WeakPolarHBondContact CA-O 3.4Å; G192-M479 PolarHBondContact O-N 3.37Å |
| 193 | I | 97.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | trans | -107.2 | 113.9 | -178.9 | -59.8 | 166.4 | 0 | 0 | 0 | 107.6 | T191 A195 V196 D197 I221 D224 P406 | T191-I193 PolarHBondContact OG1-N 3.32Å; I193-A195 VanDerWaalsContact C-N 3.26Å; I193-A195 HydrophobicContact CG2-CB 4.49Å; I193-A195 PolarHBondContact O-N 3.12Å; I193-A195 VanDerWaalsContact O-N 3.17Å; I193-V196 HydrophobicContact CB-CB 4.19Å; I193-V196 HydrophobicContact CB-CG2 4.07Å; I193-V196 HydrophobicContact CD1-CG2 4.41Å; I193-V196 HydrophobicContact CG2-CB 4.33Å; I193-V196 HydrophobicContact CG2-CG2 3.86Å; I193-V196 PolarHBondContact O-N 3.47Å; I193-D197 PolarHBondContact O-N 3.35Å; I193-I221 HydrophobicContact CD1-CB 4.09Å; I193-I221 HydrophobicContact CD1-CG1 4.14Å; I193-I221 HydrophobicContact CD1-CG2 3.77Å; I193-D224 HydrophobicContact CD1-CB 4.08Å; I193-D224 HydrophobicContact CG1-CB 4.27Å; I193-P406 HydrophobicContact CG2-CG 3.76Å | ||
| 194 | K | 95.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -48.8 | -49.1 | -176.9 | -70.6 | 175.7 | -65.7 | 178.6 | 0 | 111.9 | V196 S198 L470 L471 K472 M479 Q484 V487 E508 | K194-V196 VanDerWaalsContact C-N 3.32Å; K194-V196 PolarHBondContact O-N 2.88Å; K194-S198 VanDerWaalsContact O-CB 3.23Å; K194-S198 WeakPolarHBondContact O-CB 3.49Å; K194-S198 PolarHBondContact O-N 3.18Å; K194-S198 PolarHBondContact O-OG 3.4Å; K194-L470 WeakPolarHBondContact CE-O 3.34Å; K194-L470 PolarHBondContact NZ-O 3.29Å; K194-L471 HydrophobicContact CB-CD2 4.17Å; K194-K472 WeakPolarHBondContact CE-O 3.47Å; K194-K472 PolarHBondContact NZ-O 2.87Å; K194-M479 HydrophobicContact CD-CE 3.91Å; K194-M479 HydrophobicContact CD-SD 4.02Å; K194-M479 HydrophobicContact CG-CE 4.4Å; K194-M479 HydrophobicContact CG-SD 4.09Å; K194-Q484 HydrophobicContact CG-CB 4.31Å; K194-Q484 HydrophobicContact CG-CG 3.83Å; K194-V487 HydrophobicContact CD-CG1 4.32Å; K194-E508 IonicContact NZ-OE1 3.5Å; K194-E508 PolarHBondContact NZ-OE1 3.41Å; K194-E508 IonicContact NZ-OE2 3.63Å; K194-E508 PolarHBondContact NZ-OE2 2.64Å |
| 195 | A | 95.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 3% | 0.033 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.4 | -31.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I193 L199 P406 I408 L471 | I193-A195 VanDerWaalsContact C-N 3.26Å; I193-A195 HydrophobicContact CG2-CB 4.49Å; I193-A195 PolarHBondContact O-N 3.12Å; I193-A195 VanDerWaalsContact O-N 3.17Å; A195-L199 VanDerWaalsContact O-CB 3.25Å; A195-L199 WeakPolarHBondContact O-CB 3.41Å; A195-L199 WeakPolarHBondContact O-CG 3.46Å; A195-L199 PolarHBondContact O-N 2.93Å; A195-P406 HydrophobicContact CB-CG 4.03Å; A195-I408 HydrophobicContact CB-CD1 3.81Å; A195-L471 HydrophobicContact CB-CB 4.39Å; A195-L471 HydrophobicContact CB-CD2 4.28Å |
| 196 | V | 96.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -80.8 | -54.9 | 177.4 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | T191 I193 K194 S198 L199 V200 I202 I393 I408 | T191-V196 HydrophobicContact CG2-CB 4.43Å; T191-V196 HydrophobicContact CG2-CG1 3.78Å; I193-V196 HydrophobicContact CB-CB 4.19Å; I193-V196 HydrophobicContact CB-CG2 4.07Å; I193-V196 HydrophobicContact CD1-CG2 4.41Å; I193-V196 HydrophobicContact CG2-CB 4.33Å; I193-V196 HydrophobicContact CG2-CG2 3.86Å; I193-V196 PolarHBondContact O-N 3.47Å; K194-V196 VanDerWaalsContact C-N 3.32Å; K194-V196 PolarHBondContact O-N 2.88Å; V196-S198 PolarHBondContact O-N 3.17Å; V196-S198 VanDerWaalsContact O-N 3.16Å; V196-L199 PolarHBondContact O-N 2.71Å; V196-V200 WeakPolarHBondContact CG1-O 3.42Å; V196-V200 CarbonylContact O-C 3.56Å; V196-V200 WeakPolarHBondContact O-CA 3.33Å; V196-V200 PolarHBondContact O-N 3.26Å; V196-V200 VanDerWaalsContact O-O 3.05Å; V196-I202 HydrophobicContact CG1-CD1 3.95Å; V196-I202 HydrophobicContact CG1-CG1 4.13Å; V196-I393 HydrophobicContact CG1-CD1 3.79Å; V196-I393 HydrophobicContact CG2-CD1 4.13Å; V196-I408 HydrophobicContact CG2-CD1 3.53Å |
| 197 | D | 96.6 | Very high | 96.4 | Very high | 9 Ų | 9 | 10.8 Ų | 10.8 | 5% | 0.048 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.3 | -28 | -173.6 | -67.5 | -19.9 | 0 | 0 | 0 | 112.8 | T191 G192 I193 Q422 Q484 | T191-D197 WeakPolarHBondContact CB-OD1 3.38Å; T191-D197 PolarHBondContact N-OD1 2.87Å; T191-D197 PolarHBondContact N-OD2 2.83Å; T191-D197 PolarHBondContact OG1-OD1 3.21Å; T191-D197 PolarHBondContact OG1-OD2 2.99Å; G192-D197 PolarHBondContact N-OD2 3.04Å; I193-D197 PolarHBondContact O-N 3.35Å; D197-Q422 PolarHBondContact O-NE2 2.98Å; D197-Q484 PolarHBondContact OD2-NE2 2.9Å; D197-Q484 PolarHBondContact OD2-OE1 3.17Å |
| 198 | S | 94.9 | Very high | 96.7 | Very high | 6 Ų | 6 | 7.5 Ų | 7.5 | 4% | 0.042 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -87.9 | -45 | 177.1 | 65.2 | 0 | 0 | 0 | 0 | 114.4 | K194 V196 Q422 | K194-S198 VanDerWaalsContact O-CB 3.23Å; K194-S198 WeakPolarHBondContact O-CB 3.49Å; K194-S198 PolarHBondContact O-N 3.18Å; K194-S198 PolarHBondContact O-OG 3.4Å; V196-S198 PolarHBondContact O-N 3.17Å; V196-S198 VanDerWaalsContact O-N 3.16Å; S198-Q422 PolarHBondContact O-NE2 2.88Å |
| 199 | L | 94.3 | Very high | 96.8 | Very high | 8 Ų | 8 | 5.7 Ų | 5.7 | 4% | 0.042 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -97.5 | -33.3 | -171 | -53.7 | 176 | 0 | 0 | 0 | 113.8 | A195 V196 V410 M433 K434 L437 L471 | A195-L199 VanDerWaalsContact O-CB 3.25Å; A195-L199 WeakPolarHBondContact O-CB 3.41Å; A195-L199 WeakPolarHBondContact O-CG 3.46Å; A195-L199 PolarHBondContact O-N 2.93Å; V196-L199 PolarHBondContact O-N 2.71Å; L199-V410 HydrophobicContact CD1-CB 4.46Å; L199-V410 HydrophobicContact CD1-CG1 4.07Å; L199-V410 HydrophobicContact CD1-CG2 3.73Å; L199-M433 HydrophobicContact CD2-CB 4.47Å; L199-M433 HydrophobicContact CD2-CG 4.16Å; L199-M433 HydrophobicContact CD2-SD 4.23Å; L199-K434 HydrophobicContact CD2-CB 4.12Å; L199-L437 HydrophobicContact CD1-CD1 4.18Å; L199-L437 HydrophobicContact CD2-CD1 4Å; L199-L471 HydrophobicContact CD1-CD1 3.73Å; L199-L471 HydrophobicContact CG-CD1 4.45Å |
| 200 | V | 96.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.028 | C | C | . | . | S | Bend | trans | -137.4 | 63.6 | -172.6 | -163.3 | 0 | 0 | 0 | 0 | 108.7 | V196 E208 I393 | V196-V200 WeakPolarHBondContact CG1-O 3.42Å; V196-V200 CarbonylContact O-C 3.56Å; V196-V200 WeakPolarHBondContact O-CA 3.33Å; V196-V200 PolarHBondContact O-N 3.26Å; V196-V200 VanDerWaalsContact O-O 3.05Å; V200-E208 WeakPolarHBondContact CG1-OE1 3.28Å; V200-I393 HydrophobicContact CB-CG1 4.36Å; V200-I393 HydrophobicContact CG1-CG1 3.97Å |
| 201 | P | 95.9 | Very high | 97 | Very high | 8 Ų | 8 | 4.5 Ų | 4.5 | 5% | 0.052 | 2% | 0.023 | C | C | . | . | trans | -64.2 | 143.7 | -173.6 | 29 | -37.9 | 0 | 0 | 0 | 111.3 | S415 G418 A421 Q422 | P201-S415 WeakPolarHBondContact O-CB 3.17Å; P201-S415 PolarHBondContact O-OG 3.4Å; P201-G418 WeakPolarHBondContact CG-O 3.38Å; P201-A421 HydrophobicContact CB-CB 4.33Å; P201-Q422 HydrophobicContact CB-CG 3.35Å; P201-Q422 HydrophobicContact CG-CG 3.63Å | ||
| 202 | I | 98.2 | Very high | 96.9 | Very high | 3 Ų | 3 | 4.5 Ų | 4.5 | 2% | 0.015 | 2% | 0.023 | C | C | . | . | trans | -113.9 | 130.7 | -179.1 | -48.2 | -178.9 | 0 | 0 | 0 | 108.7 | M189 T191 V196 Q206 E208 T365 L367 I393 | M189-I202 WeakPolarHBondContact CA-O 3.37Å; M189-I202 HydrophobicContact CE-CB 3.88Å; M189-I202 HydrophobicContact CE-CD1 4Å; M189-I202 HydrophobicContact CE-CG2 3.61Å; M189-I202 PolarHBondContact N-O 2.91Å; T191-I202 HydrophobicContact CG2-CD1 3.86Å; V196-I202 HydrophobicContact CG1-CD1 3.95Å; V196-I202 HydrophobicContact CG1-CG1 4.13Å; I202-Q206 HydrophobicContact CG2-CB 4.36Å; I202-E208 HydrophobicContact CD1-CB 4Å; I202-E208 HydrophobicContact CD1-CG 3.93Å; I202-E208 HydrophobicContact CG1-CB 4.15Å; I202-E208 HydrophobicContact CG1-CG 3.97Å; I202-E208 HydrophobicContact CG2-CB 4.14Å; I202-T365 HydrophobicContact CG2-CG2 3.99Å; I202-L367 HydrophobicContact CD1-CD2 3.76Å; I202-L367 HydrophobicContact CG2-CD2 4.37Å; I202-I393 HydrophobicContact CD1-CD1 4.08Å | ||
| 203 | G | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.03 | C | C | . | . | B | Isolated β-bridge | trans | -102.7 | 159.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V185 E187 G205 Q206 T365 | V185-G203 VanDerWaalsContact CG1-CA 3.5Å; E187-G203 CarbonylContact O-C 3.44Å; E187-G203 VanDerWaalsContact O-CA 3.24Å; E187-G203 WeakPolarHBondContact O-CA 3.17Å; G203-G205 PolarHBondContact O-N 3Å; G203-Q206 WeakPolarHBondContact O-CB 3.39Å; G203-Q206 PolarHBondContact O-N 2.9Å; G203-T365 WeakPolarHBondContact O-CG2 3.41Å |
| 204 | R | 97.6 | Very high | 96.6 | Very high | 22 Ų | 22 | 13.5 Ų | 13.5 | 8% | 0.083 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 117.8 | 176.6 | -66.5 | -177 | 178.2 | -157.2 | -9 | 110.8 | V185 E187 P188 M189 K239 K240 H306 T365 | V185-R204 WeakPolarHBondContact CG1-O 3.46Å; E187-R204 HydrophobicContact CB-CB 4.18Å; E187-R204 HydrophobicContact CB-CG 4.19Å; E187-R204 PolarHBondContact O-N 2.6Å; E187-R204 WeakPolarHBondContact OE2-CD 3.31Å; P188-R204 PolarHBondContact O-NE 2.8Å; M189-R204 HydrophobicContact CB-CG 4.07Å; R204-K239 PolarHBondContact NH1-O 3.42Å; R204-K240 PolarHBondContact NH2-O 3.49Å; R204-H306 PolarHBondContact NH1-CD2 2.92Å; R204-H306 PolarHBondContact NH1-NE2 2.81Å; R204-T365 WeakPolarHBondContact CA-OG1 3.49Å |
| 205 | G | 96.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 20.8 Ų | 20.8 | 5% | 0.052 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | 1.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G203 L364 T365 | G203-G205 PolarHBondContact O-N 3Å; G205-L364 WeakPolarHBondContact CA-O 3.16Å; G205-T365 PolarHBondContact N-OG1 2.98Å |
| 206 | Q | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | trans | -81 | 156.8 | 174.4 | -174.9 | 171.5 | -12.7 | 0 | 0 | 111.5 | I202 G203 E208 T365 A366 D390 S415 V417 | I202-Q206 HydrophobicContact CG2-CB 4.36Å; G203-Q206 WeakPolarHBondContact O-CB 3.39Å; G203-Q206 PolarHBondContact O-N 2.9Å; Q206-E208 PolarHBondContact NE2-OE2 2.85Å; Q206-T365 WeakPolarHBondContact O-CA 3.23Å; Q206-T365 VanDerWaalsContact O-CG2 3.31Å; Q206-T365 WeakPolarHBondContact O-CG2 3.47Å; Q206-A366 PolarHBondContact O-N 3.38Å; Q206-D390 HydrophobicContact CG-CB 3.85Å; Q206-S415 PolarHBondContact NE2-OG 2.81Å; Q206-V417 VanDerWaalsContact CD-CG2 3.48Å; Q206-V417 HydrophobicContact CG-CG2 3.93Å | ||
| 207 | R | 98.4 | Very high | 96 | Very high | 23 Ų | 23 | 21.6 Ų | 21.6 | 9% | 0.087 | 10% | 0.101 | C | C | . | . | B | Isolated β-bridge | trans | -111.6 | 110.7 | 170 | -59.2 | 152 | -60.6 | 179.5 | 1.9 | 109.1 | L349 E350 A352 A366 T389 D390 G391 | R207-L349 WeakPolarHBondContact CD-O 3.46Å; R207-E350 IonicContact CZ-OE1 3.9Å; R207-E350 IonicContact NH1-OE1 2.98Å; R207-E350 PolarHBondContact NH1-OE1 3.11Å; R207-E350 IonicContact NH1-OE2 2.7Å; R207-E350 PolarHBondContact NH1-OE2 2.88Å; R207-E350 IonicContact NH2-OE1 3.94Å; R207-A352 HydrophobicContact CG-CB 3.87Å; R207-A366 CarbonylContact C-O 3.59Å; R207-A366 WeakPolarHBondContact CA-O 3.46Å; R207-A366 HydrophobicContact CG-CB 4.12Å; R207-T389 HydrophobicContact CB-CG2 4.29Å; R207-T389 WeakPolarHBondContact O-CB 3.43Å; R207-D390 IonicContact CZ-OD1 3.57Å; R207-D390 IonicContact CZ-OD2 3.57Å; R207-D390 PolarHBondContact N-OD2 3.48Å; R207-D390 IonicContact NE-OD1 2.84Å; R207-D390 IonicContact NE-OD2 3.31Å; R207-D390 PolarHBondContact NE-OD2 2.72Å; R207-D390 IonicContact NH2-OD1 3.5Å; R207-D390 PolarHBondContact NH2-OD1 3.21Å; R207-D390 IonicContact NH2-OD2 3.66Å; R207-D390 PolarHBondContact NH2-OD2 3.04Å; R207-D390 WeakPolarHBondContact O-CB 3.34Å; R207-D390 PolarHBondContact O-N 2.8Å; R207-G391 PolarHBondContact O-N 3.12Å |
| 208 | E | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 112.9 | -177.5 | -165.8 | 69.2 | -163.1 | 0 | 0 | 110.5 | V200 I202 Q206 A366 L367 P368 G391 Q392 I393 V414 | V200-E208 WeakPolarHBondContact CG1-OE1 3.28Å; I202-E208 HydrophobicContact CD1-CB 4Å; I202-E208 HydrophobicContact CD1-CG 3.93Å; I202-E208 HydrophobicContact CG1-CB 4.15Å; I202-E208 HydrophobicContact CG1-CG 3.97Å; I202-E208 HydrophobicContact CG2-CB 4.14Å; Q206-E208 PolarHBondContact NE2-OE2 2.85Å; E208-A366 PolarHBondContact N-O 3.18Å; E208-L367 HydrophobicContact CB-CD2 3.81Å; E208-L367 WeakPolarHBondContact O-CA 3.28Å; E208-P368 WeakPolarHBondContact O-CD 3.44Å; E208-G391 VanDerWaalsContact OE1-C 3.28Å; E208-G391 WeakPolarHBondContact OE2-CA 3.5Å; E208-Q392 PolarHBondContact OE1-N 3.38Å; E208-I393 HydrophobicContact CG-CD1 4.03Å; E208-I393 HydrophobicContact CG-CG1 4.04Å; E208-V414 VanDerWaalsContact OE1-O 3.11Å |
| 209 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 129.1 | -177.3 | 174 | 60.6 | 0 | 0 | 0 | 111.4 | I211 P368 I370 V385 I386 T389 G391 Q392 I393 | L209-I211 HydrophobicContact CD1-CB 4.38Å; L209-I211 HydrophobicContact CD2-CB 4.01Å; L209-I211 HydrophobicContact CD2-CD1 4.29Å; L209-I211 HydrophobicContact CD2-CG2 4.04Å; L209-I211 HydrophobicContact CG-CB 3.9Å; L209-I211 HydrophobicContact CG-CG2 4.03Å; L209-P368 HydrophobicContact CB-CG 4.5Å; L209-P368 HydrophobicContact CD1-CB 4.37Å; L209-P368 HydrophobicContact CD1-CG 4.19Å; L209-P368 WeakPolarHBondContact CD1-O 3.41Å; L209-I370 HydrophobicContact CD1-CB 3.91Å; L209-I370 HydrophobicContact CD1-CG1 3.62Å; L209-V385 HydrophobicContact CD1-CG1 3.73Å; L209-V385 HydrophobicContact CD2-CB 4.49Å; L209-V385 HydrophobicContact CD2-CG1 4.11Å; L209-V385 HydrophobicContact CG-CG1 4.42Å; L209-I386 HydrophobicContact CD2-CG1 3.59Å; L209-T389 HydrophobicContact CB-CG2 3.96Å; L209-G391 WeakPolarHBondContact CB-O 3.45Å; L209-G391 PolarHBondContact N-O 3.45Å; L209-Q392 HydrophobicContact CB-CB 3.93Å; L209-Q392 HydrophobicContact CD2-CB 4.22Å; L209-Q392 HydrophobicContact CG-CB 4.3Å; L209-Q392 CarbonylContact O-C 2.97Å; L209-Q392 VanDerWaalsContact O-CA 3.23Å; L209-Q392 WeakPolarHBondContact O-CA 3.23Å; L209-I393 PolarHBondContact O-N 3.43Å |
| 210 | I | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 109.9 | 165.8 | -56.9 | 172.3 | 0 | 0 | 0 | 107.9 | K218 I221 L367 P368 V369 I370 I393 L395 | I210-K218 HydrophobicContact CG2-CB 3.78Å; I210-K218 HydrophobicContact CG2-CD 4.48Å; I210-K218 HydrophobicContact CG2-CG 3.93Å; I210-I221 HydrophobicContact CD1-CB 4.43Å; I210-I221 HydrophobicContact CD1-CG2 3.94Å; I210-L367 HydrophobicContact CD1-CB 4.28Å; I210-P368 PolarHBondContact N-O 2.83Å; I210-V369 HydrophobicContact CB-CG2 4.38Å; I210-V369 CarbonylContact O-C 3.55Å; I210-V369 VanDerWaalsContact O-CA 3.29Å; I210-V369 WeakPolarHBondContact O-CA 3.36Å; I210-I370 PolarHBondContact O-N 3.11Å; I210-I393 HydrophobicContact CG1-CD1 4.45Å; I210-L395 HydrophobicContact CG2-CD1 4.39Å |
| 211 | I | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140.8 | -173.8 | 178.6 | 168.5 | 0 | 0 | 0 | 110.7 | L209 I370 T372 V377 P382 I386 Q392 I393 F394 L395 | L209-I211 HydrophobicContact CD1-CB 4.38Å; L209-I211 HydrophobicContact CD2-CB 4.01Å; L209-I211 HydrophobicContact CD2-CD1 4.29Å; L209-I211 HydrophobicContact CD2-CG2 4.04Å; L209-I211 HydrophobicContact CG-CB 3.9Å; L209-I211 HydrophobicContact CG-CG2 4.03Å; I211-I370 WeakPolarHBondContact CA-O 3.12Å; I211-I370 HydrophobicContact CD1-CG2 4.12Å; I211-I370 HydrophobicContact CG1-CB 4.4Å; I211-I370 HydrophobicContact CG1-CG2 4.17Å; I211-T372 HydrophobicContact CD1-CG2 3.67Å; I211-T372 HydrophobicContact CG1-CG2 3.6Å; I211-V377 HydrophobicContact CD1-CG1 4.39Å; I211-P382 HydrophobicContact CD1-CB 3.87Å; I211-I386 HydrophobicContact CD1-CD1 4.23Å; I211-Q392 HydrophobicContact CG2-CB 4.12Å; I211-I393 PolarHBondContact N-O 3.19Å; I211-F394 HydrophobicContact CG1-CD2 4.34Å; I211-F394 HydrophobicContact CG1-CE2 4.23Å; I211-F394 HydrophobicContact CG2-CB 4.4Å; I211-F394 HydrophobicContact CG2-CD2 3.65Å; I211-F394 HydrophobicContact CG2-CE2 4.38Å; I211-F394 HydrophobicContact CG2-CG 4.48Å; I211-F394 CarbonylContact O-C 3.42Å; I211-F394 WeakPolarHBondContact O-CA 3.48Å; I211-L395 PolarHBondContact O-N 2.76Å |
| 212 | G | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | 177.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | K218 I370 T372 L395 | G212-K218 PolarHBondContact O-NZ 3.46Å; G212-I370 PolarHBondContact N-O 3.34Å; G212-T372 PolarHBondContact O-N 2.76Å; G212-T372 PolarHBondContact O-OG1 3Å; G212-L395 WeakPolarHBondContact CA-O 3.47Å |
| 213 | D | 94.8 | Very high | 96.2 | Very high | 27 Ų | 27 | 24 Ų | 24 | 14% | 0.144 | 12% | 0.116 | C | C | . | . | trans | -69.8 | 169.1 | -176.3 | -75.9 | -14.3 | 0 | 0 | 0 | 112.4 | T216 K218 T372 A374 G375 T397 | D213-T216 HydrophobicContact CB-CG2 3.9Å; D213-T216 WeakPolarHBondContact O-CG2 3.34Å; D213-T216 PolarHBondContact O-N 3.06Å; D213-T216 PolarHBondContact O-OG1 3.48Å; D213-K218 VanDerWaalsContact C-NZ 3.3Å; D213-K218 PolarHBondContact O-NZ 3.42Å; D213-T372 PolarHBondContact N-OG1 2.89Å; D213-T372 VanDerWaalsContact N-OG1 3.15Å; D213-T372 WeakPolarHBondContact OD1-CB 3.33Å; D213-T372 PolarHBondContact OD1-OG1 2.91Å; D213-A374 PolarHBondContact OD1-N 3.02Å; D213-G375 VanDerWaalsContact CG-N 3.27Å; D213-G375 WeakPolarHBondContact OD1-CA 3.49Å; D213-G375 PolarHBondContact OD1-N 2.98Å; D213-G375 PolarHBondContact OD2-N 2.84Å; D213-G375 VanDerWaalsContact OD2-N 3.07Å; D213-T397 WeakPolarHBondContact CB-OG1 3.42Å; D213-T397 PolarHBondContact OD2-OG1 3.43Å | ||
| 214 | R | 91.8 | Very high | 96.2 | Very high | 167 Ų | 167 | 24.5 Ų | 24.5 | 63% | 0.63 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 141.2 | 173.5 | -170.7 | 170.7 | 176.9 | -172.4 | -2.7 | 110.7 | T216 | R214-T216 VanDerWaalsContact C-N 3.28Å; R214-T216 PolarHBondContact O-N 2.66Å |
| 215 | Q | 89.1 | Confident | 96.2 | Very high | 152 Ų | 152 | 23.4 Ų | 23.4 | 71% | 0.71 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 20.1 | 176.2 | -69.2 | 170.4 | -11.7 | 0 | 0 | 116.7 | ||
| 216 | T | 92.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.018 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -85.8 | -1.5 | 178 | 53.5 | 0 | 0 | 0 | 0 | 115.4 | D213 R214 | D213-T216 HydrophobicContact CB-CG2 3.9Å; D213-T216 WeakPolarHBondContact O-CG2 3.34Å; D213-T216 PolarHBondContact O-N 3.06Å; D213-T216 PolarHBondContact O-OG1 3.48Å; R214-T216 VanDerWaalsContact C-N 3.28Å; R214-T216 PolarHBondContact O-N 2.66Å |
| 217 | G | 93.2 | Very high | 96.3 | Very high | 18 Ų | 18 | 24.2 Ų | 24.2 | 19% | 0.186 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 99.1 | 11.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | T219 S220 I221 | G217-T219 PolarHBondContact O-N 3.02Å; G217-S220 WeakPolarHBondContact O-CB 3.32Å; G217-S220 PolarHBondContact O-N 2.92Å; G217-I221 PolarHBondContact O-N 3.36Å; G217-I221 VanDerWaalsContact O-N 3.17Å |
| 218 | K | 96.3 | Very high | 96.3 | Very high | 13 Ų | 13 | 23.2 Ų | 23.2 | 6% | 0.057 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -49.3 | -55 | 178.7 | -59 | -172.4 | -62.9 | -92.5 | 0 | 113.3 | I210 G212 D213 S220 I221 A222 V369 L395 | I210-K218 HydrophobicContact CG2-CB 3.78Å; I210-K218 HydrophobicContact CG2-CD 4.48Å; I210-K218 HydrophobicContact CG2-CG 3.93Å; G212-K218 PolarHBondContact O-NZ 3.46Å; D213-K218 VanDerWaalsContact C-NZ 3.3Å; D213-K218 PolarHBondContact O-NZ 3.42Å; K218-S220 VanDerWaalsContact C-N 3.28Å; K218-S220 PolarHBondContact O-N 3.35Å; K218-I221 PolarHBondContact O-N 3.35Å; K218-A222 PolarHBondContact O-N 2.65Å; K218-V369 HydrophobicContact CB-CG1 3.92Å; K218-V369 HydrophobicContact CD-CG1 3.74Å; K218-V369 HydrophobicContact CG-CG1 4.41Å; K218-L395 HydrophobicContact CB-CD1 4.26Å; K218-L395 HydrophobicContact CG-CD1 3.68Å |
| 219 | T | 96.1 | Very high | 96.2 | Very high | 46 Ų | 46 | 23.3 Ų | 23.3 | 28% | 0.282 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -65.9 | -30 | 179.9 | -49.6 | 0 | 0 | 0 | 0 | 112.4 | G217 A222 I223 L259 D312 | G217-T219 PolarHBondContact O-N 3.02Å; T219-A222 WeakPolarHBondContact O-CB 3.2Å; T219-A222 PolarHBondContact O-N 2.74Å; T219-I223 HydrophobicContact CG2-CD1 3.85Å; T219-I223 HydrophobicContact CG2-CG1 4.27Å; T219-I223 VanDerWaalsContact O-CG1 3.28Å; T219-I223 WeakPolarHBondContact O-CG1 3.49Å; T219-I223 PolarHBondContact O-N 2.86Å; T219-L259 HydrophobicContact CG2-CD1 4.17Å; T219-D312 WeakPolarHBondContact CB-OD2 3.12Å; T219-D312 WeakPolarHBondContact CG2-OD2 3.5Å; T219-D312 PolarHBondContact OG1-OD2 3.28Å |
| 220 | S | 95.8 | Very high | 96.1 | Very high | 19 Ų | 19 | 26.4 Ų | 26.4 | 13% | 0.133 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 176.4 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | G217 K218 A222 I223 D224 | G217-S220 WeakPolarHBondContact O-CB 3.32Å; G217-S220 PolarHBondContact O-N 2.92Å; K218-S220 VanDerWaalsContact C-N 3.28Å; K218-S220 PolarHBondContact O-N 3.35Å; S220-A222 VanDerWaalsContact C-N 3.3Å; S220-A222 PolarHBondContact O-N 3.46Å; S220-I223 PolarHBondContact O-N 3Å; S220-D224 WeakPolarHBondContact O-CB 3.41Å; S220-D224 VanDerWaalsContact O-CG 3.29Å; S220-D224 PolarHBondContact O-N 2.71Å |
| 221 | I | 97.2 | Very high | 95.8 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.6 | -44.6 | 175.1 | -66.6 | 180 | 0 | 0 | 0 | 110.8 | I193 I210 G217 K218 T225 I393 L395 P406 | I193-I221 HydrophobicContact CD1-CB 4.09Å; I193-I221 HydrophobicContact CD1-CG1 4.14Å; I193-I221 HydrophobicContact CD1-CG2 3.77Å; I210-I221 HydrophobicContact CD1-CB 4.43Å; I210-I221 HydrophobicContact CD1-CG2 3.94Å; G217-I221 PolarHBondContact O-N 3.36Å; G217-I221 VanDerWaalsContact O-N 3.17Å; K218-I221 PolarHBondContact O-N 3.35Å; I221-T225 WeakPolarHBondContact O-CB 3.34Å; I221-T225 PolarHBondContact O-N 2.88Å; I221-T225 PolarHBondContact O-OG1 3.36Å; I221-I393 HydrophobicContact CD1-CG2 4.36Å; I221-L395 HydrophobicContact CD1-CD1 3.89Å; I221-L395 HydrophobicContact CD1-CD2 3.74Å; I221-L395 HydrophobicContact CD1-CG 4.34Å; I221-P406 HydrophobicContact CD1-CB 4.29Å; I221-P406 HydrophobicContact CG1-CB 4.47Å |
| 222 | A | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.3 | -47.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | K218 T219 S220 T225 I226 I310 | K218-A222 PolarHBondContact O-N 2.65Å; T219-A222 WeakPolarHBondContact O-CB 3.2Å; T219-A222 PolarHBondContact O-N 2.74Å; S220-A222 VanDerWaalsContact C-N 3.3Å; S220-A222 PolarHBondContact O-N 3.46Å; A222-T225 WeakPolarHBondContact O-CB 3.31Å; A222-T225 PolarHBondContact O-N 3.42Å; A222-I226 WeakPolarHBondContact O-CG1 3.33Å; A222-I226 PolarHBondContact O-N 2.57Å; A222-I226 VanDerWaalsContact O-N 3.15Å; A222-I310 HydrophobicContact CB-CD1 3.58Å; A222-I310 HydrophobicContact CB-CG2 3.72Å; A222-I310 WeakPolarHBondContact O-CD1 3.39Å |
| 223 | I | 97.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66 | -45.1 | 179.8 | -67.2 | 167.8 | 0 | 0 | 0 | 110.8 | T219 S220 T225 I226 I227 L259 L263 Y476 | T219-I223 HydrophobicContact CG2-CD1 3.85Å; T219-I223 HydrophobicContact CG2-CG1 4.27Å; T219-I223 VanDerWaalsContact O-CG1 3.28Å; T219-I223 WeakPolarHBondContact O-CG1 3.49Å; T219-I223 PolarHBondContact O-N 2.86Å; S220-I223 PolarHBondContact O-N 3Å; I223-T225 PolarHBondContact O-N 3.16Å; I223-I226 WeakPolarHBondContact O-CB 3.38Å; I223-I226 PolarHBondContact O-N 3.06Å; I223-I227 HydrophobicContact CG2-CD1 3.68Å; I223-I227 HydrophobicContact CG2-CG1 4.19Å; I223-I227 WeakPolarHBondContact O-CG1 3.08Å; I223-I227 PolarHBondContact O-N 2.92Å; I223-L259 HydrophobicContact CD1-CD1 3.85Å; I223-L259 HydrophobicContact CD1-CG 4.03Å; I223-L259 HydrophobicContact CG1-CD1 4.05Å; I223-L259 HydrophobicContact CG1-CG 4.3Å; I223-L263 HydrophobicContact CG2-CD2 4.06Å; I223-Y476 HydrophobicContact CB-CE1 4.22Å; I223-Y476 HydrophobicContact CD1-CE1 4.35Å; I223-Y476 HydrophobicContact CG2-CD1 3.91Å; I223-Y476 HydrophobicContact CG2-CE1 3.75Å |
| 224 | D | 97.6 | Very high | 95.5 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 5% | 0.048 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.1 | -38.5 | 179 | -72.5 | -7.3 | 0 | 0 | 0 | 111 | I193 S220 I226 I227 N228 Y476 | I193-D224 HydrophobicContact CD1-CB 4.08Å; I193-D224 HydrophobicContact CG1-CB 4.27Å; S220-D224 WeakPolarHBondContact O-CB 3.41Å; S220-D224 VanDerWaalsContact O-CG 3.29Å; S220-D224 PolarHBondContact O-N 2.71Å; D224-I226 VanDerWaalsContact C-N 3.33Å; D224-I226 PolarHBondContact O-N 3.38Å; D224-I227 PolarHBondContact O-N 2.68Å; D224-N228 VanDerWaalsContact O-CB 3.29Å; D224-N228 WeakPolarHBondContact O-CB 3.39Å; D224-N228 PolarHBondContact O-N 3.04Å; D224-Y476 VanDerWaalsContact CG-N 3.35Å; D224-Y476 WeakPolarHBondContact OD1-CA 3.23Å; D224-Y476 WeakPolarHBondContact OD1-CD1 3.34Å; D224-Y476 PolarHBondContact OD1-N 2.79Å; D224-Y476 PolarHBondContact OD2-N 2.94Å |
| 225 | T | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60 | -41.7 | 173.3 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | M189 T191 I221 A222 I223 Q229 L308 L367 | M189-T225 HydrophobicContact CE-CG2 3.93Å; M189-T225 HydrophobicContact SD-CG2 3.73Å; T191-T225 HydrophobicContact CG2-CG2 4.1Å; I221-T225 WeakPolarHBondContact O-CB 3.34Å; I221-T225 PolarHBondContact O-N 2.88Å; I221-T225 PolarHBondContact O-OG1 3.36Å; A222-T225 WeakPolarHBondContact O-CB 3.31Å; A222-T225 PolarHBondContact O-N 3.42Å; I223-T225 PolarHBondContact O-N 3.16Å; T225-Q229 WeakPolarHBondContact O-CG 3.48Å; T225-Q229 PolarHBondContact O-NE2 3.46Å; T225-L308 HydrophobicContact CG2-CD2 3.58Å; T225-L367 HydrophobicContact CG2-CD1 4.18Å |
| 226 | I | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.7 | -48.1 | 176.3 | -67.9 | 171.2 | 0 | 0 | 0 | 110.6 | A222 I223 D224 N228 Q229 C244 Y246 L263 A268 Y271 T272 L308 I310 | A222-I226 WeakPolarHBondContact O-CG1 3.33Å; A222-I226 PolarHBondContact O-N 2.57Å; A222-I226 VanDerWaalsContact O-N 3.15Å; I223-I226 WeakPolarHBondContact O-CB 3.38Å; I223-I226 PolarHBondContact O-N 3.06Å; D224-I226 VanDerWaalsContact C-N 3.33Å; D224-I226 PolarHBondContact O-N 3.38Å; I226-N228 PolarHBondContact O-N 2.66Å; I226-Q229 PolarHBondContact O-N 2.85Å; I226-Q229 VanDerWaalsContact O-N 3.16Å; I226-C244 HydrophobicContact CD1-CB 4.44Å; I226-C244 HydrophobicContact CG1-CB 4.04Å; I226-C244 HydrophobicContact CG2-CB 4.09Å; I226-Y246 HydrophobicContact CD1-CD2 4.2Å; I226-L263 HydrophobicContact CB-CD2 4.22Å; I226-L263 HydrophobicContact CG2-CD2 3.72Å; I226-A268 HydrophobicContact CG2-CB 4.11Å; I226-Y271 HydrophobicContact CG2-CE2 4.04Å; I226-Y271 WeakPolarHBondContact O-CE2 3.46Å; I226-Y271 PolarHBondContact O-OH 2.87Å; I226-T272 WeakPolarHBondContact CG2-OG1 3.43Å; I226-L308 HydrophobicContact CG1-CD2 4.5Å; I226-I310 HydrophobicContact CD1-CD1 3.74Å; I226-I310 HydrophobicContact CG1-CD1 3.86Å |
| 227 | I | 98.1 | Very high | 95.4 | Very high | 23 Ų | 23 | 33.2 Ų | 33.2 | 12% | 0.118 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.1 | -38.9 | 179.9 | -66 | 172.5 | 0 | 0 | 0 | 110.3 | I223 D224 Q229 K230 L263 A266 A268 Y476 P478 | I223-I227 HydrophobicContact CG2-CD1 3.68Å; I223-I227 HydrophobicContact CG2-CG1 4.19Å; I223-I227 WeakPolarHBondContact O-CG1 3.08Å; I223-I227 PolarHBondContact O-N 2.92Å; D224-I227 PolarHBondContact O-N 2.68Å; I227-Q229 PolarHBondContact O-N 2.82Å; I227-Q229 VanDerWaalsContact O-N 3.13Å; I227-K230 WeakPolarHBondContact O-CB 3.41Å; I227-K230 PolarHBondContact O-N 3.18Å; I227-K230 VanDerWaalsContact O-N 3.16Å; I227-L263 HydrophobicContact CG1-CD2 4.27Å; I227-A266 HydrophobicContact CD1-CB 3.89Å; I227-A266 HydrophobicContact CG1-CB 3.85Å; I227-A266 HydrophobicContact CG2-CB 4.18Å; I227-A268 HydrophobicContact CG1-CB 4.47Å; I227-Y476 HydrophobicContact CD1-CD1 4.06Å; I227-P478 HydrophobicContact CB-CG 4.32Å; I227-P478 HydrophobicContact CG2-CG 3.81Å |
| 228 | N | 97.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.011 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.2 | -30.4 | 179.4 | -170.8 | 56.1 | 0 | 0 | 0 | 113.3 | Q190 T191 G192 D224 I226 K230 R231 P478 | Q190-N228 PolarHBondContact O-ND2 3.04Å; T191-N228 VanDerWaalsContact O-CB 3.25Å; T191-N228 WeakPolarHBondContact O-CB 2.95Å; G192-N228 WeakPolarHBondContact CA-OD1 3.16Å; G192-N228 PolarHBondContact N-ND2 2.78Å; D224-N228 VanDerWaalsContact O-CB 3.29Å; D224-N228 WeakPolarHBondContact O-CB 3.39Å; D224-N228 PolarHBondContact O-N 3.04Å; I226-N228 PolarHBondContact O-N 2.66Å; N228-K230 PolarHBondContact O-N 2.92Å; N228-R231 VanDerWaalsContact O-CG 3.28Å; N228-R231 WeakPolarHBondContact O-CG 3.33Å; N228-R231 PolarHBondContact O-NE 2.81Å; N228-R231 PolarHBondContact OD1-NE 3.12Å; N228-R231 PolarHBondContact OD1-NH2 3.47Å; N228-P478 HydrophobicContact CB-CB 3.77Å; N228-P478 HydrophobicContact CB-CG 4.26Å |
| 229 | Q | 97 | Very high | 94.9 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -16.5 | -176.7 | -52.4 | -45.8 | -46.4 | 0 | 0 | 113.9 | Q190 T225 I226 I227 R231 F232 N233 L242 Y271 | Q190-Q229 PolarHBondContact O-NE2 3.31Å; T225-Q229 WeakPolarHBondContact O-CG 3.48Å; T225-Q229 PolarHBondContact O-NE2 3.46Å; I226-Q229 PolarHBondContact O-N 2.85Å; I226-Q229 VanDerWaalsContact O-N 3.16Å; I227-Q229 PolarHBondContact O-N 2.82Å; I227-Q229 VanDerWaalsContact O-N 3.13Å; Q229-R231 PolarHBondContact O-N 2.93Å; Q229-R231 VanDerWaalsContact O-N 3.16Å; Q229-F232 PolarHBondContact O-N 2.79Å; Q229-N233 PolarHBondContact O-N 3.14Å; Q229-L242 HydrophobicContact CB-CB 4.44Å; Q229-L242 VanDerWaalsContact CD-CD2 3.46Å; Q229-L242 HydrophobicContact CG-CB 4.17Å; Q229-L242 HydrophobicContact CG-CD2 3.75Å; Q229-L242 HydrophobicContact CG-CG 4.41Å; Q229-Y271 HydrophobicContact CB-CE2 3.97Å |
| 230 | K | 96 | Very high | 94.7 | Very high | 64 Ų | 64 | 46.8 Ų | 46.8 | 28% | 0.278 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -50.9 | -42.3 | 178.1 | -178.7 | 177.5 | -179.1 | -179.8 | 0 | 111.9 | I227 N228 F232 N233 D234 D267 Y271 | I227-K230 WeakPolarHBondContact O-CB 3.41Å; I227-K230 PolarHBondContact O-N 3.18Å; I227-K230 VanDerWaalsContact O-N 3.16Å; N228-K230 PolarHBondContact O-N 2.92Å; K230-F232 PolarHBondContact O-N 2.97Å; K230-F232 VanDerWaalsContact O-N 3.08Å; K230-N233 PolarHBondContact O-N 3.37Å; K230-N233 VanDerWaalsContact O-N 3.13Å; K230-D234 WeakPolarHBondContact CE-OD2 3.05Å; K230-D234 VanDerWaalsContact CG-OD2 3.27Å; K230-D234 WeakPolarHBondContact CG-OD2 3.33Å; K230-D234 WeakPolarHBondContact O-CB 3.45Å; K230-D234 PolarHBondContact O-N 3.35Å; K230-D267 HydrophobicContact CD-CB 4.41Å; K230-D267 IonicContact NZ-OD2 2.79Å; K230-D267 PolarHBondContact NZ-OD2 3.04Å; K230-Y271 HydrophobicContact CB-CE1 4.19Å; K230-Y271 PolarHBondContact N-OH 3.38Å; K230-Y271 VanDerWaalsContact N-OH 3.14Å |
| 231 | R | 92.3 | Very high | 94.7 | Very high | 90 Ų | 90 | 47.6 Ų | 47.6 | 34% | 0.34 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.3 | -28.4 | 179.4 | 75.9 | -173.7 | 67 | -128.5 | 6.8 | 113.9 | N228 Q229 P478 | N228-R231 VanDerWaalsContact O-CG 3.28Å; N228-R231 WeakPolarHBondContact O-CG 3.33Å; N228-R231 PolarHBondContact O-NE 2.81Å; N228-R231 PolarHBondContact OD1-NE 3.12Å; N228-R231 PolarHBondContact OD1-NH2 3.47Å; Q229-R231 PolarHBondContact O-N 2.93Å; Q229-R231 VanDerWaalsContact O-N 3.16Å; R231-P478 PolarHBondContact NH2-O 3.14Å |
| 232 | F | 93.9 | Very high | 94.7 | Very high | 45 Ų | 45 | 47.3 Ų | 47.3 | 20% | 0.197 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -95.1 | -36.9 | 178.3 | -59.4 | -64.1 | 0 | 0 | 0 | 111.7 | Q190 Q229 K230 G235 K240 | Q190-F232 VanDerWaalsContact OE1-CZ 3.28Å; Q229-F232 PolarHBondContact O-N 2.79Å; K230-F232 PolarHBondContact O-N 2.97Å; K230-F232 VanDerWaalsContact O-N 3.08Å; F232-G235 PolarHBondContact O-N 2.88Å; F232-G235 VanDerWaalsContact O-N 3.17Å; F232-K240 HydrophobicContact CB-CB 4.41Å; F232-K240 HydrophobicContact CD1-CB 4.24Å |
| 233 | N | 95.3 | Very high | 94.8 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 10% | 0.102 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.1 | -29.6 | -178.6 | -73.2 | -28.7 | 0 | 0 | 0 | 113.7 | Q229 K230 G235 K241 L242 Y271 | Q229-N233 PolarHBondContact O-N 3.14Å; K230-N233 PolarHBondContact O-N 3.37Å; K230-N233 VanDerWaalsContact O-N 3.13Å; N233-G235 PolarHBondContact O-N 3.43Å; N233-K241 VanDerWaalsContact OD1-CA 3.23Å; N233-K241 WeakPolarHBondContact OD1-CA 3.45Å; N233-K241 WeakPolarHBondContact OD1-CB 3.48Å; N233-L242 PolarHBondContact ND2-O 3.02Å; N233-L242 PolarHBondContact OD1-N 2.83Å; N233-L242 PolarHBondContact OD1-O 2.77Å; N233-Y271 HydrophobicContact CB-CD1 3.8Å; N233-Y271 HydrophobicContact CB-CE1 4.17Å; N233-Y271 HydrophobicContact CB-CG 4.23Å; N233-Y271 VanDerWaalsContact ND2-CD1 3.35Å; N233-Y271 WeakPolarHBondContact ND2-CD1 3.1Å; N233-Y271 WeakPolarHBondContact ND2-CD2 3.44Å; N233-Y271 WeakPolarHBondContact ND2-CE2 3.09Å |
| 234 | D | 93.4 | Very high | 94.8 | Very high | 102 Ų | 102 | 48 Ų | 48 | 55% | 0.545 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -13.7 | 171.8 | -70.2 | -11.8 | 0 | 0 | 0 | 112.3 | K230 | K230-D234 WeakPolarHBondContact CE-OD2 3.05Å; K230-D234 VanDerWaalsContact CG-OD2 3.27Å; K230-D234 WeakPolarHBondContact CG-OD2 3.33Å; K230-D234 WeakPolarHBondContact O-CB 3.45Å; K230-D234 PolarHBondContact O-N 3.35Å |
| 235 | G | 91.2 | Very high | 94.9 | Very high | 32 Ų | 32 | 47.6 Ų | 47.6 | 33% | 0.33 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -78.9 | 172.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F232 N233 K241 | F232-G235 PolarHBondContact O-N 2.88Å; F232-G235 VanDerWaalsContact O-N 3.17Å; N233-G235 PolarHBondContact O-N 3.43Å; G235-K241 WeakPolarHBondContact O-CE 3.31Å; G235-K241 PolarHBondContact O-NZ 3.5Å |
| 236 | T | 89.3 | Confident | 94.9 | Very high | 140 Ų | 140 | 47.9 Ų | 47.9 | 86% | 0.859 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -90.3 | -16 | 178.6 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | E238 | T236-E238 PolarHBondContact O-N 3.12Š|
| 237 | D | 91.8 | Very high | 94.9 | Very high | 65 Ų | 65 | 47.9 Ų | 47.9 | 35% | 0.348 | 24% | 0.237 | S | C | . | . | trans | -83.7 | 99.3 | -174.9 | -175.7 | -2.4 | 0 | 0 | 0 | 111.9 | K239 K240 K241 | D237-K239 PolarHBondContact O-N 2.69Å; D237-K239 WeakPolarHBondContact OD1-CB 3.33Å; D237-K239 PolarHBondContact OD1-N 3.12Å; D237-K240 HydrophobicContact CB-CB 4.37Å; D237-K240 HydrophobicContact CB-CD 4.22Å; D237-K240 HydrophobicContact CB-CG 4.38Å; D237-K240 PolarHBondContact O-N 2.75Å; D237-K240 VanDerWaalsContact OD2-CD 3.25Å; D237-K240 WeakPolarHBondContact OD2-CD 3.03Å; D237-K240 WeakPolarHBondContact OD2-CE 3.45Å; D237-K240 WeakPolarHBondContact OD2-CG 3.33Å; D237-K240 IonicContact OD2-NZ 3.42Å; D237-K241 PolarHBondContact O-N 3.48Å | ||
| 238 | E | 89.4 | Confident | 94.9 | Very high | 83 Ų | 83 | 46.8 Ų | 46.8 | 39% | 0.388 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -31 | 177.7 | -71.7 | -62.1 | 136.7 | 0 | 0 | 113.6 | T236 K240 K241 Y243 K305 | T236-E238 PolarHBondContact O-N 3.12Å; E238-K240 PolarHBondContact O-N 2.8Å; E238-K241 PolarHBondContact O-N 2.97Å; E238-K241 WeakPolarHBondContact OE1-CD 3.42Å; E238-K241 WeakPolarHBondContact OE1-CE 3.46Å; E238-K241 IonicContact OE1-NZ 3.54Å; E238-K241 PolarHBondContact OE1-NZ 3.34Å; E238-Y243 PolarHBondContact OE2-OH 3.1Å; E238-K305 IonicContact OE2-NZ 3.09Å |
| 239 | K | 90.2 | Very high | 95 | Very high | 165 Ų | 165 | 46.7 Ų | 46.7 | 72% | 0.717 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -24.6 | 178.9 | -64.2 | -172.7 | 177.6 | -175.7 | 0 | 111.9 | R204 D237 H306 | R204-K239 PolarHBondContact NH1-O 3.42Å; D237-K239 PolarHBondContact O-N 2.69Å; D237-K239 WeakPolarHBondContact OD1-CB 3.33Å; D237-K239 PolarHBondContact OD1-N 3.12Å; K239-H306 PolarHBondContact O-CD2 3.3Å; K239-H306 PolarHBondContact O-NE2 3.35Å |
| 240 | K | 91.4 | Very high | 94.9 | Very high | 114 Ų | 114 | 47.1 Ų | 47.1 | 50% | 0.496 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -23.3 | 177.9 | -70.6 | 177.7 | -173.6 | 168.7 | 0 | 112.6 | R204 F232 D237 E238 | R204-K240 PolarHBondContact NH2-O 3.49Å; F232-K240 HydrophobicContact CB-CB 4.41Å; F232-K240 HydrophobicContact CD1-CB 4.24Å; D237-K240 HydrophobicContact CB-CB 4.37Å; D237-K240 HydrophobicContact CB-CD 4.22Å; D237-K240 HydrophobicContact CB-CG 4.38Å; D237-K240 PolarHBondContact O-N 2.75Å; D237-K240 VanDerWaalsContact OD2-CD 3.25Å; D237-K240 WeakPolarHBondContact OD2-CD 3.03Å; D237-K240 WeakPolarHBondContact OD2-CE 3.45Å; D237-K240 WeakPolarHBondContact OD2-CG 3.33Å; D237-K240 IonicContact OD2-NZ 3.42Å; E238-K240 PolarHBondContact O-N 2.8Å |
| 241 | K | 95.8 | Very high | 95 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 16% | 0.157 | 23% | 0.23 | C | C | . | . | trans | -58.7 | 149.1 | 178.6 | -63.6 | -165.6 | -178.1 | 171.3 | 0 | 112 | N233 G235 D237 E238 | N233-K241 VanDerWaalsContact OD1-CA 3.23Å; N233-K241 WeakPolarHBondContact OD1-CA 3.45Å; N233-K241 WeakPolarHBondContact OD1-CB 3.48Å; G235-K241 WeakPolarHBondContact O-CE 3.31Å; G235-K241 PolarHBondContact O-NZ 3.5Å; D237-K241 PolarHBondContact O-N 3.48Å; E238-K241 PolarHBondContact O-N 2.97Å; E238-K241 WeakPolarHBondContact OE1-CD 3.42Å; E238-K241 WeakPolarHBondContact OE1-CE 3.46Å; E238-K241 IonicContact OE1-NZ 3.54Å; E238-K241 PolarHBondContact OE1-NZ 3.34Å | ||
| 242 | L | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -139.1 | 116.6 | 178.1 | -168.2 | 72.4 | 0 | 0 | 0 | 109.2 | M189 Q229 N233 H306 L308 | M189-L242 HydrophobicContact CG-CD2 3.8Å; M189-L242 HydrophobicContact SD-CD2 4.18Å; Q229-L242 HydrophobicContact CB-CB 4.44Å; Q229-L242 VanDerWaalsContact CD-CD2 3.46Å; Q229-L242 HydrophobicContact CG-CB 4.17Å; Q229-L242 HydrophobicContact CG-CD2 3.75Å; Q229-L242 HydrophobicContact CG-CG 4.41Å; N233-L242 PolarHBondContact ND2-O 3.02Å; N233-L242 PolarHBondContact OD1-N 2.83Å; N233-L242 PolarHBondContact OD1-O 2.77Å; L242-H306 WeakPolarHBondContact CA-O 3.18Å; L242-H306 HydrophobicContact CD1-CB 3.6Å; L242-L308 HydrophobicContact CD1-CB 4.5Å; L242-L308 HydrophobicContact CD2-CB 3.83Å; L242-L308 HydrophobicContact CD2-CD2 4.36Å; L242-L308 HydrophobicContact CG-CB 4.1Å | ||
| 243 | Y | 98.4 | Very high | 95.2 | Very high | 17 Ų | 17 | 53.8 Ų | 53.8 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 131.9 | 178.3 | -60.5 | -84.7 | 0 | 0 | 0 | 110.2 | L147 E238 F300 K305 H306 A307 L308 | L147-Y243 HydrophobicContact CD1-CD1 3.8Å; L147-Y243 HydrophobicContact CD1-CE1 3.75Å; L147-Y243 HydrophobicContact CD2-CD1 3.85Å; E238-Y243 PolarHBondContact OE2-OH 3.1Å; Y243-F300 HydrophobicContact CD1-CD1 4.15Å; Y243-F300 AromaticContact CD1-CE1 3.74Å; Y243-F300 HydrophobicContact CD1-CE1 3.74Å; Y243-F300 HydrophobicContact CD1-CZ 4.31Å; Y243-F300 HydrophobicContact CD2-CB 4.47Å; Y243-F300 AromaticContact CD2-CD1 3.51Å; Y243-F300 HydrophobicContact CD2-CD1 3.51Å; Y243-F300 AromaticContact CD2-CE1 3.98Å; Y243-F300 HydrophobicContact CD2-CE1 3.98Å; Y243-F300 HydrophobicContact CD2-CG 4.12Å; Y243-F300 HydrophobicContact CE1-CE1 4.15Å; Y243-F300 HydrophobicContact CE2-CD1 4.02Å; Y243-F300 HydrophobicContact CE2-CE1 4.4Å; Y243-F300 AromaticContact CG-CD1 3.57Å; Y243-F300 HydrophobicContact CG-CD1 3.57Å; Y243-F300 AromaticContact CG-CE1 3.61Å; Y243-F300 HydrophobicContact CG-CE1 3.61Å; Y243-F300 HydrophobicContact CG-CG 4.15Å; Y243-F300 HydrophobicContact CG-CZ 4.23Å; Y243-K305 HydrophobicContact CD2-CB 4.2Å; Y243-K305 HydrophobicContact CD2-CD 4.4Å; Y243-K305 HydrophobicContact CE2-CB 3.99Å; Y243-K305 HydrophobicContact CE2-CD 3.62Å; Y243-K305 HydrophobicContact CE2-CG 4.12Å; Y243-K305 PolarHBondContact OH-NZ 2.96Å; Y243-H306 WeakPolarHBondContact CD2-O 3.22Å; Y243-H306 PolarHBondContact N-O 3.03Å; Y243-A307 CarbonylContact O-C 3.54Å; Y243-A307 WeakPolarHBondContact O-CA 3.49Å; Y243-A307 WeakPolarHBondContact O-CB 3.38Å; Y243-L308 PolarHBondContact O-N 3.4Å |
| 244 | C | 98.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141.3 | -171.7 | -65.9 | 0 | 0 | 0 | 0 | 111.2 | I226 Y271 T272 I273 L308 | I226-C244 HydrophobicContact CD1-CB 4.44Å; I226-C244 HydrophobicContact CG1-CB 4.04Å; I226-C244 HydrophobicContact CG2-CB 4.09Å; C244-Y271 HydrophobicContact CB-CD2 4.29Å; C244-Y271 PolarHBondContact N-O 2.9Å; C244-T272 HydrophobicContact CB-CG2 3.99Å; C244-T272 CarbonylContact O-C 3.54Å; C244-T272 VanDerWaalsContact O-CA 3.24Å; C244-T272 WeakPolarHBondContact O-CA 3.38Å; C244-I273 PolarHBondContact O-N 2.81Å; C244-L308 CarbonylContact C-O 3.45Å; C244-L308 WeakPolarHBondContact CA-O 3.23Å |
| 245 | I | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 118.8 | 173.4 | -58.1 | 88.5 | 0 | 0 | 0 | 107.1 | V247 I273 V275 F300 A307 L308 I309 I310 | I245-V247 HydrophobicContact CG2-CG2 4.1Å; I245-I273 CarbonylContact C-O 3.47Å; I245-I273 WeakPolarHBondContact CA-O 3.11Å; I245-I273 HydrophobicContact CG1-CB 4.34Å; I245-I273 HydrophobicContact CG1-CD1 4.32Å; I245-V275 HydrophobicContact CG2-CG2 4.35Å; I245-F300 HydrophobicContact CD1-CD2 4.43Å; I245-A307 HydrophobicContact CD1-CB 3.99Å; I245-L308 PolarHBondContact N-O 3.32Å; I245-I309 HydrophobicContact CB-CB 4.31Å; I245-I309 HydrophobicContact CB-CD1 4.33Å; I245-I309 HydrophobicContact CB-CG1 4.1Å; I245-I309 HydrophobicContact CG2-CD1 4.07Å; I245-I309 HydrophobicContact CG2-CG1 4.17Å; I245-I309 CarbonylContact O-C 3.49Å; I245-I309 WeakPolarHBondContact O-CA 3.48Å; I245-I310 PolarHBondContact O-N 3.27Å |
| 246 | Y | 98.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 115.9 | 175.5 | -174.8 | -86.3 | 0 | 0 | 0 | 109.6 | I226 A248 L259 I273 V274 V275 I310 D312 | I226-Y246 HydrophobicContact CD1-CD2 4.2Å; Y246-A248 HydrophobicContact CD1-CB 4.43Å; Y246-A248 HydrophobicContact CE1-CB 3.98Å; Y246-L259 HydrophobicContact CD1-CD1 4.07Å; Y246-L259 HydrophobicContact CD1-CD2 4.04Å; Y246-L259 HydrophobicContact CD2-CD1 4.34Å; Y246-L259 HydrophobicContact CE1-CD1 3.41Å; Y246-L259 VanDerWaalsContact CE1-CD1 3.41Å; Y246-L259 HydrophobicContact CE1-CD2 4.16Å; Y246-L259 HydrophobicContact CE1-CG 4.46Å; Y246-L259 HydrophobicContact CE2-CD1 3.76Å; Y246-L259 HydrophobicContact CG-CD1 4.48Å; Y246-L259 HydrophobicContact CG-CD2 4.39Å; Y246-L259 WeakPolarHBondContact OH-CD1 3.34Å; Y246-I273 PolarHBondContact N-O 2.87Å; Y246-V274 HydrophobicContact CD1-CG1 4.39Å; Y246-V274 CarbonylContact O-C 3.47Å; Y246-V274 WeakPolarHBondContact O-CA 3.32Å; Y246-V275 PolarHBondContact O-N 3.11Å; Y246-I310 HydrophobicContact CD2-CB 3.99Å; Y246-I310 HydrophobicContact CD2-CD1 4.42Å; Y246-I310 HydrophobicContact CD2-CG2 4.01Å; Y246-I310 HydrophobicContact CE2-CG2 4.03Å; Y246-D312 HydrophobicContact CE1-CB 4.41Å; Y246-D312 HydrophobicContact CE2-CB 4.11Å; Y246-D312 VanDerWaalsContact OH-CB 3.28Å; Y246-D312 WeakPolarHBondContact OH-CB 3.45Å; Y246-D312 PolarHBondContact OH-OD2 3.49Å |
| 247 | V | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 106.6 | -179.7 | -170.2 | 0 | 0 | 0 | 0 | 109.3 | I245 I249 V275 A289 P290 I309 I310 Y311 D312 | I245-V247 HydrophobicContact CG2-CG2 4.1Å; V247-I249 HydrophobicContact CG1-CD1 4.32Å; V247-I249 HydrophobicContact CG1-CG1 3.87Å; V247-V275 CarbonylContact C-O 3.57Å; V247-V275 WeakPolarHBondContact CA-O 3.39Å; V247-V275 HydrophobicContact CG1-CB 4.25Å; V247-V275 HydrophobicContact CG1-CG1 4.37Å; V247-V275 HydrophobicContact CG2-CB 4.32Å; V247-A289 HydrophobicContact CG1-CB 4Å; V247-P290 HydrophobicContact CG1-CG 4.39Å; V247-I309 HydrophobicContact CG2-CD1 4.04Å; V247-I309 HydrophobicContact CG2-CG1 4.15Å; V247-I310 WeakPolarHBondContact CB-O 3.47Å; V247-I310 PolarHBondContact N-O 2.63Å; V247-Y311 HydrophobicContact CB-CD1 4.16Å; V247-Y311 HydrophobicContact CG2-CD1 4.03Å; V247-Y311 HydrophobicContact CG2-CE1 4.32Å; V247-D312 PolarHBondContact O-N 2.67Å |
| 248 | A | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 115.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y246 Q251 V256 V275 A277 | Y246-A248 HydrophobicContact CD1-CB 4.43Å; Y246-A248 HydrophobicContact CE1-CB 3.98Å; A248-Q251 HydrophobicContact CB-CB 4.37Å; A248-Q251 HydrophobicContact CB-CG 4.16Å; A248-V256 HydrophobicContact CB-CG2 3.7Å; A248-V275 PolarHBondContact N-O 3.35Å; A248-A277 PolarHBondContact O-N 3.43Å |
| 249 | I | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.7 | -175.2 | -50.6 | 151 | 0 | 0 | 0 | 108.2 | V247 Q251 A277 Q286 P290 D312 D313 L314 K316 Q317 | V247-I249 HydrophobicContact CG1-CD1 4.32Å; V247-I249 HydrophobicContact CG1-CG1 3.87Å; I249-Q251 PolarHBondContact O-N 3.04Å; I249-A277 CarbonylContact C-O 3.57Å; I249-Q286 HydrophobicContact CG2-CB 4.21Å; I249-P290 HydrophobicContact CD1-CG 3.47Å; I249-P290 VanDerWaalsContact CD1-CG 3.47Å; I249-P290 HydrophobicContact CG1-CG 3.87Å; I249-D312 PolarHBondContact N-O 3.11Å; I249-D313 VanDerWaalsContact CD1-O 3.3Å; I249-D313 WeakPolarHBondContact CD1-O 3.49Å; I249-L314 HydrophobicContact CD1-CD2 4.12Å; I249-K316 HydrophobicContact CG2-CB 4.17Å; I249-K316 WeakPolarHBondContact O-CD 3.28Å; I249-Q317 HydrophobicContact CG2-CB 4.23Å |
| 250 | G | 96.6 | Very high | 96.9 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.3 | 21.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A277 | G250-A277 PolarHBondContact N-O 3.27Å |
| 251 | Q | 96.5 | Very high | 97.2 | Very high | 29 Ų | 29 | 42.4 Ų | 42.4 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 157.2 | 177.3 | -60.4 | -61.9 | -20 | 0 | 0 | 110.6 | A248 I249 V256 T278 A279 D312 | A248-Q251 HydrophobicContact CB-CB 4.37Å; A248-Q251 HydrophobicContact CB-CG 4.16Å; I249-Q251 PolarHBondContact O-N 3.04Å; Q251-V256 HydrophobicContact CB-CG2 3.91Å; Q251-T278 CarbonylContact O-C 3.59Å; Q251-T278 VanDerWaalsContact O-CA 3.28Å; Q251-T278 WeakPolarHBondContact O-CA 3.44Å; Q251-T278 WeakPolarHBondContact O-CB 3.42Å; Q251-A279 PolarHBondContact O-N 2.95Å; Q251-D312 WeakPolarHBondContact CG-O 3.35Å; Q251-D312 PolarHBondContact NE2-O 3.06Å; Q251-D312 PolarHBondContact NE2-OD1 3.49Å |
| 252 | K | 96.1 | Very high | 97.3 | Very high | 139 Ų | 139 | 45.6 Ų | 45.6 | 60% | 0.604 | 23% | 0.225 | S | C | * | . | trans | -68.6 | 137.9 | 172.3 | -65.5 | -176 | 179.7 | -174.4 | 0 | 109.6 | S254 T255 V256 | K252-S254 PolarHBondContact O-N 3.42Å; K252-T255 WeakPolarHBondContact O-CB 3.13Å; K252-T255 PolarHBondContact O-N 3.35Å; K252-V256 PolarHBondContact O-N 3.39Å; K252-V256 VanDerWaalsContact O-N 3.15Å | ||
| 253 | R | 94.9 | Very high | 97.3 | Very high | 171 Ų | 171 | 45.6 Ų | 45.6 | 65% | 0.645 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -54.5 | -39.2 | 178.7 | -169.1 | 178.2 | -66.8 | 177.3 | -1.5 | 112.7 | T255 V256 A257 T278 | R253-T255 PolarHBondContact O-N 2.69Å; R253-V256 PolarHBondContact O-N 3.17Å; R253-A257 PolarHBondContact O-N 3.46Å; R253-T278 HydrophobicContact CB-CG2 4.22Å |
| 254 | S | 96.2 | Very high | 97.2 | Very high | 73 Ų | 73 | 48.4 Ų | 48.4 | 51% | 0.51 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.4 | -38.2 | 176.3 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | K252 A257 Q258 | K252-S254 PolarHBondContact O-N 3.42Å; S254-A257 PolarHBondContact O-N 3.24Å; S254-Q258 WeakPolarHBondContact O-CG 3.45Å; S254-Q258 PolarHBondContact O-N 3.34Å |
| 255 | T | 95.6 | Very high | 97.1 | Very high | 60 Ų | 60 | 53.8 Ų | 53.8 | 37% | 0.368 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 176.4 | -56.9 | 0 | 0 | 0 | 0 | 111 | K252 R253 Q258 L259 | K252-T255 WeakPolarHBondContact O-CB 3.13Å; K252-T255 PolarHBondContact O-N 3.35Å; R253-T255 PolarHBondContact O-N 2.69Å; T255-Q258 PolarHBondContact O-N 3.15Å; T255-L259 WeakPolarHBondContact O-CB 3.37Å; T255-L259 PolarHBondContact O-N 3.38Å |
| 256 | V | 96.8 | Very high | 97 | Very high | 11 Ų | 11 | 55 Ų | 55 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 175.8 | -178 | 0 | 0 | 0 | 0 | 110.8 | A248 Q251 K252 R253 Q258 L259 V260 V274 | A248-V256 HydrophobicContact CB-CG2 3.7Å; Q251-V256 HydrophobicContact CB-CG2 3.91Å; K252-V256 PolarHBondContact O-N 3.39Å; K252-V256 VanDerWaalsContact O-N 3.15Å; R253-V256 PolarHBondContact O-N 3.17Å; V256-Q258 PolarHBondContact O-N 2.9Å; V256-L259 WeakPolarHBondContact O-CB 3.28Å; V256-L259 PolarHBondContact O-N 2.76Å; V256-L259 VanDerWaalsContact O-N 3.15Å; V256-V260 HydrophobicContact CG1-CG2 4.4Å; V256-V260 WeakPolarHBondContact O-CG2 3.42Å; V256-V260 PolarHBondContact O-N 3.13Å; V256-V274 HydrophobicContact CG1-CG1 4.32Å |
| 257 | A | 96.8 | Very high | 96.9 | Very high | 61 Ų | 61 | 57.1 Ų | 57.1 | 50% | 0.504 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R253 S254 L259 V260 K261 | R253-A257 PolarHBondContact O-N 3.46Å; S254-A257 PolarHBondContact O-N 3.24Å; A257-L259 VanDerWaalsContact C-N 3.33Å; A257-L259 PolarHBondContact O-N 3.27Å; A257-V260 PolarHBondContact O-N 3Å; A257-K261 WeakPolarHBondContact O-CB 3.47Å; A257-K261 PolarHBondContact O-N 3.08Å |
| 258 | Q | 96.9 | Very high | 96.9 | Very high | 108 Ų | 108 | 57.1 Ų | 57.1 | 51% | 0.505 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 174.4 | -74 | 175.2 | -0 | 0 | 0 | 112.2 | S254 T255 V256 K261 R262 | S254-Q258 WeakPolarHBondContact O-CG 3.45Å; S254-Q258 PolarHBondContact O-N 3.34Å; T255-Q258 PolarHBondContact O-N 3.15Å; V256-Q258 PolarHBondContact O-N 2.9Å; Q258-K261 PolarHBondContact O-N 2.95Å; Q258-R262 WeakPolarHBondContact O-CG 3.26Å; Q258-R262 PolarHBondContact O-N 3.16Å |
| 259 | L | 96.9 | Very high | 96.8 | Very high | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -48.9 | 176.2 | -179.9 | 151.8 | 0 | 0 | 0 | 111.5 | T219 I223 Y246 T255 V256 A257 K261 R262 L263 | T219-L259 HydrophobicContact CG2-CD1 4.17Å; I223-L259 HydrophobicContact CD1-CD1 3.85Å; I223-L259 HydrophobicContact CD1-CG 4.03Å; I223-L259 HydrophobicContact CG1-CD1 4.05Å; I223-L259 HydrophobicContact CG1-CG 4.3Å; Y246-L259 HydrophobicContact CD1-CD1 4.07Å; Y246-L259 HydrophobicContact CD1-CD2 4.04Å; Y246-L259 HydrophobicContact CD2-CD1 4.34Å; Y246-L259 HydrophobicContact CE1-CD1 3.41Å; Y246-L259 VanDerWaalsContact CE1-CD1 3.41Å; Y246-L259 HydrophobicContact CE1-CD2 4.16Å; Y246-L259 HydrophobicContact CE1-CG 4.46Å; Y246-L259 HydrophobicContact CE2-CD1 3.76Å; Y246-L259 HydrophobicContact CG-CD1 4.48Å; Y246-L259 HydrophobicContact CG-CD2 4.39Å; Y246-L259 WeakPolarHBondContact OH-CD1 3.34Å; T255-L259 WeakPolarHBondContact O-CB 3.37Å; T255-L259 PolarHBondContact O-N 3.38Å; V256-L259 WeakPolarHBondContact O-CB 3.28Å; V256-L259 PolarHBondContact O-N 2.76Å; V256-L259 VanDerWaalsContact O-N 3.15Å; A257-L259 VanDerWaalsContact C-N 3.33Å; A257-L259 PolarHBondContact O-N 3.27Å; L259-K261 VanDerWaalsContact C-N 3.26Å; L259-K261 PolarHBondContact O-N 2.93Å; L259-R262 PolarHBondContact O-N 3.45Å; L259-R262 VanDerWaalsContact O-N 3.15Å; L259-L263 HydrophobicContact CD2-CD1 3.63Å; L259-L263 HydrophobicContact CD2-CG 4.22Å; L259-L263 WeakPolarHBondContact O-CG 3.3Å; L259-L263 PolarHBondContact O-N 2.69Å |
| 260 | V | 97.5 | Very high | 96.7 | Very high | 29 Ų | 29 | 64 Ų | 64 | 18% | 0.176 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 176.8 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | V150 V256 A257 L263 T264 M269 V274 | V150-V260 HydrophobicContact CG2-CG1 4.13Å; V150-V260 HydrophobicContact CG2-CG2 3.87Å; V256-V260 HydrophobicContact CG1-CG2 4.4Å; V256-V260 WeakPolarHBondContact O-CG2 3.42Å; V256-V260 PolarHBondContact O-N 3.13Å; A257-V260 PolarHBondContact O-N 3Å; V260-L263 PolarHBondContact O-N 2.72Å; V260-T264 WeakPolarHBondContact O-CB 3.41Å; V260-T264 PolarHBondContact O-N 3.3Å; V260-T264 PolarHBondContact O-OG1 2.93Å; V260-M269 HydrophobicContact CG1-CE 4.33Å; V260-M269 HydrophobicContact CG1-SD 4.34Å; V260-V274 HydrophobicContact CG2-CG1 4.27Å; V260-V274 HydrophobicContact CG2-CG2 4.23Å |
| 261 | K | 97.4 | Very high | 96.8 | Very high | 134 Ų | 134 | 64 Ų | 64 | 58% | 0.583 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59 | -50.8 | 174.1 | -177.6 | 177.9 | 177.2 | -179 | 0 | 111.5 | A257 Q258 L259 L263 T264 D265 | A257-K261 WeakPolarHBondContact O-CB 3.47Å; A257-K261 PolarHBondContact O-N 3.08Å; Q258-K261 PolarHBondContact O-N 2.95Å; L259-K261 VanDerWaalsContact C-N 3.26Å; L259-K261 PolarHBondContact O-N 2.93Å; K261-L263 VanDerWaalsContact C-N 3.34Å; K261-L263 PolarHBondContact O-N 2.89Å; K261-T264 CarbonylContact O-C 3.52Å; K261-T264 WeakPolarHBondContact O-CA 3.48Å; K261-T264 WeakPolarHBondContact O-CB 3.47Å; K261-T264 PolarHBondContact O-N 3.29Å; K261-D265 PolarHBondContact O-N 3.16Å |
| 262 | R | 96.8 | Very high | 96.9 | Very high | 103 Ų | 103 | 62.6 Ų | 62.6 | 39% | 0.389 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 178.6 | -73.3 | 175.1 | -173.8 | 163 | 5.5 | 112.6 | Q258 L259 T264 D265 A266 Y476 | Q258-R262 WeakPolarHBondContact O-CG 3.26Å; Q258-R262 PolarHBondContact O-N 3.16Å; L259-R262 PolarHBondContact O-N 3.45Å; L259-R262 VanDerWaalsContact O-N 3.15Å; R262-T264 VanDerWaalsContact C-N 3.26Å; R262-T264 PolarHBondContact O-N 2.79Å; R262-D265 PolarHBondContact O-N 3.13Å; R262-A266 WeakPolarHBondContact O-CB 3.4Å; R262-A266 PolarHBondContact O-N 2.64Å; R262-Y476 PolarHBondContact NH1-OH 3.22Å |
| 263 | L | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.5 | -31.8 | 175.7 | -68.7 | -178.4 | 0 | 0 | 0 | 112 | I223 I226 I227 L259 V260 K261 D267 A268 M269 T272 | I223-L263 HydrophobicContact CG2-CD2 4.06Å; I226-L263 HydrophobicContact CB-CD2 4.22Å; I226-L263 HydrophobicContact CG2-CD2 3.72Å; I227-L263 HydrophobicContact CG1-CD2 4.27Å; L259-L263 HydrophobicContact CD2-CD1 3.63Å; L259-L263 HydrophobicContact CD2-CG 4.22Å; L259-L263 WeakPolarHBondContact O-CG 3.3Å; L259-L263 PolarHBondContact O-N 2.69Å; V260-L263 PolarHBondContact O-N 2.72Å; K261-L263 VanDerWaalsContact C-N 3.34Å; K261-L263 PolarHBondContact O-N 2.89Å; L263-D267 PolarHBondContact O-N 3.35Å; L263-A268 HydrophobicContact CB-CB 4.46Å; L263-A268 HydrophobicContact CD2-CB 4.08Å; L263-A268 WeakPolarHBondContact O-CA 3.25Å; L263-A268 PolarHBondContact O-N 2.93Å; L263-M269 HydrophobicContact CB-CG 3.73Å; L263-M269 HydrophobicContact CB-SD 3.7Å; L263-M269 HydrophobicContact CD1-SD 3.94Å; L263-M269 PolarHBondContact O-N 2.76Å; L263-T272 HydrophobicContact CD1-CG2 4.11Å |
| 264 | T | 97.1 | Very high | 97.2 | Very high | 75 Ų | 75 | 47.9 Ų | 47.9 | 46% | 0.46 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -71.5 | -46.4 | 175.2 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | V260 K261 R262 A266 D267 M269 | V260-T264 WeakPolarHBondContact O-CB 3.41Å; V260-T264 PolarHBondContact O-N 3.3Å; V260-T264 PolarHBondContact O-OG1 2.93Å; K261-T264 CarbonylContact O-C 3.52Å; K261-T264 WeakPolarHBondContact O-CA 3.48Å; K261-T264 WeakPolarHBondContact O-CB 3.47Å; K261-T264 PolarHBondContact O-N 3.29Å; R262-T264 VanDerWaalsContact C-N 3.26Å; R262-T264 PolarHBondContact O-N 2.79Å; T264-A266 PolarHBondContact O-N 2.82Å; T264-D267 WeakPolarHBondContact O-CA 3.43Å; T264-D267 PolarHBondContact O-N 3.22Å; T264-M269 WeakPolarHBondContact OG1-CG 3.33Å |
| 265 | D | 96.9 | Very high | 97.3 | Very high | 115 Ų | 115 | 44.4 Ų | 44.4 | 62% | 0.615 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -62 | -33.7 | 178.4 | -63.2 | -15.6 | 0 | 0 | 0 | 111.2 | K261 R262 D267 | K261-D265 PolarHBondContact O-N 3.16Å; R262-D265 PolarHBondContact O-N 3.13Å; D265-D267 VanDerWaalsContact C-N 3.29Å |
| 266 | A | 96.2 | Very high | 97.4 | Very high | 26 Ų | 26 | 41.8 Ų | 41.8 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 0.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I227 R262 T264 A268 | I227-A266 HydrophobicContact CD1-CB 3.89Å; I227-A266 HydrophobicContact CG1-CB 3.85Å; I227-A266 HydrophobicContact CG2-CB 4.18Å; R262-A266 WeakPolarHBondContact O-CB 3.4Å; R262-A266 PolarHBondContact O-N 2.64Å; T264-A266 PolarHBondContact O-N 2.82Å; A266-A268 PolarHBondContact O-N 3.32Å |
| 267 | D | 96.8 | Very high | 97.5 | Very high | 49 Ų | 49 | 41.3 Ų | 41.3 | 26% | 0.262 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 22.6 | -177.4 | -160.8 | 34.2 | 0 | 0 | 0 | 114.6 | K230 L263 T264 D265 K270 | K230-D267 HydrophobicContact CD-CB 4.41Å; K230-D267 IonicContact NZ-OD2 2.79Å; K230-D267 PolarHBondContact NZ-OD2 3.04Å; L263-D267 PolarHBondContact O-N 3.35Å; T264-D267 WeakPolarHBondContact O-CA 3.43Å; T264-D267 PolarHBondContact O-N 3.22Å; D265-D267 VanDerWaalsContact C-N 3.29Å; D267-K270 WeakPolarHBondContact OD1-CD 3.28Å; D267-K270 WeakPolarHBondContact OD1-CE 3.42Å; D267-K270 IonicContact OD1-NZ 2.86Å; D267-K270 PolarHBondContact OD1-NZ 2.87Å; D267-K270 IonicContact OD2-NZ 2.63Å; D267-K270 PolarHBondContact OD2-NZ 2.81Å |
| 268 | A | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -88.8 | -15.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I226 I227 L263 A266 K270 Y271 T272 | I226-A268 HydrophobicContact CG2-CB 4.11Å; I227-A268 HydrophobicContact CG1-CB 4.47Å; L263-A268 HydrophobicContact CB-CB 4.46Å; L263-A268 HydrophobicContact CD2-CB 4.08Å; L263-A268 WeakPolarHBondContact O-CA 3.25Å; L263-A268 PolarHBondContact O-N 2.93Å; A266-A268 PolarHBondContact O-N 3.32Å; A268-K270 PolarHBondContact O-N 2.97Å; A268-Y271 HydrophobicContact CB-CE1 4.21Å; A268-Y271 HydrophobicContact CB-CE2 4.34Å; A268-Y271 VanDerWaalsContact CB-OH 3.28Å; A268-Y271 WeakPolarHBondContact CB-OH 3.39Å; A268-Y271 PolarHBondContact O-N 2.85Å; A268-T272 WeakPolarHBondContact O-CB 3.29Å; A268-T272 PolarHBondContact O-OG1 2.89Å | ||
| 269 | M | 97.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 36.5 Ų | 36.5 | 6% | 0.064 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -62 | -27.6 | 178.4 | -80.2 | -57.5 | -62.5 | 0 | 0 | 113 | G148 V260 L263 T264 Y271 T272 V274 | G148-M269 WeakPolarHBondContact CA-O 3.46Å; G148-M269 PolarHBondContact N-O 2.69Å; G148-M269 VanDerWaalsContact N-O 3.16Å; V260-M269 HydrophobicContact CG1-CE 4.33Å; V260-M269 HydrophobicContact CG1-SD 4.34Å; L263-M269 HydrophobicContact CB-CG 3.73Å; L263-M269 HydrophobicContact CB-SD 3.7Å; L263-M269 HydrophobicContact CD1-SD 3.94Å; L263-M269 PolarHBondContact O-N 2.76Å; T264-M269 WeakPolarHBondContact OG1-CG 3.33Å; M269-Y271 PolarHBondContact O-N 2.8Å; M269-T272 PolarHBondContact O-N 2.8Å; M269-V274 HydrophobicContact CE-CG2 4.09Å; M269-V274 HydrophobicContact SD-CG2 4.13Å |
| 270 | K | 96.9 | Very high | 97.1 | Very high | 132 Ų | 132 | 40.2 Ų | 40.2 | 57% | 0.574 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -54.5 | -29.5 | -178.7 | -69.9 | 172.4 | 172.7 | 162.6 | 0 | 114.3 | D267 A268 | D267-K270 WeakPolarHBondContact OD1-CD 3.28Å; D267-K270 WeakPolarHBondContact OD1-CE 3.42Å; D267-K270 IonicContact OD1-NZ 2.86Å; D267-K270 PolarHBondContact OD1-NZ 2.87Å; D267-K270 IonicContact OD2-NZ 2.63Å; D267-K270 PolarHBondContact OD2-NZ 2.81Å; A268-K270 PolarHBondContact O-N 2.97Å |
| 271 | Y | 97.8 | Very high | 96.9 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 4% | 0.039 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -119.2 | 13.8 | -179.8 | 56.5 | -98.3 | 0 | 0 | 0 | 112.5 | I226 Q229 K230 N233 C244 A268 M269 | I226-Y271 HydrophobicContact CG2-CE2 4.04Å; I226-Y271 WeakPolarHBondContact O-CE2 3.46Å; I226-Y271 PolarHBondContact O-OH 2.87Å; Q229-Y271 HydrophobicContact CB-CE2 3.97Å; K230-Y271 HydrophobicContact CB-CE1 4.19Å; K230-Y271 PolarHBondContact N-OH 3.38Å; K230-Y271 VanDerWaalsContact N-OH 3.14Å; N233-Y271 HydrophobicContact CB-CD1 3.8Å; N233-Y271 HydrophobicContact CB-CE1 4.17Å; N233-Y271 HydrophobicContact CB-CG 4.23Å; N233-Y271 VanDerWaalsContact ND2-CD1 3.35Å; N233-Y271 WeakPolarHBondContact ND2-CD1 3.1Å; N233-Y271 WeakPolarHBondContact ND2-CD2 3.44Å; N233-Y271 WeakPolarHBondContact ND2-CE2 3.09Å; C244-Y271 HydrophobicContact CB-CD2 4.29Å; C244-Y271 PolarHBondContact N-O 2.9Å; A268-Y271 HydrophobicContact CB-CE1 4.21Å; A268-Y271 HydrophobicContact CB-CE2 4.34Å; A268-Y271 VanDerWaalsContact CB-OH 3.28Å; A268-Y271 WeakPolarHBondContact CB-OH 3.39Å; A268-Y271 PolarHBondContact O-N 2.85Å; M269-Y271 PolarHBondContact O-N 2.8Å |
| 272 | T | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132.9 | -176.3 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | G148 I226 C244 L263 A268 M269 V274 | G148-T272 PolarHBondContact N-O 3.31Å; I226-T272 WeakPolarHBondContact CG2-OG1 3.43Å; C244-T272 HydrophobicContact CB-CG2 3.99Å; C244-T272 CarbonylContact O-C 3.54Å; C244-T272 VanDerWaalsContact O-CA 3.24Å; C244-T272 WeakPolarHBondContact O-CA 3.38Å; L263-T272 HydrophobicContact CD1-CG2 4.11Å; A268-T272 WeakPolarHBondContact O-CB 3.29Å; A268-T272 PolarHBondContact O-OG1 2.89Å; M269-T272 PolarHBondContact O-N 2.8Å; T272-V274 HydrophobicContact CG2-CG2 4.29Å |
| 273 | I | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132 | 167.6 | -50.1 | 176.6 | 0 | 0 | 0 | 107.7 | L146 L147 V151 C244 I245 Y246 V275 M296 F300 | L146-I273 HydrophobicContact CB-CD1 3.68Å; L146-I273 HydrophobicContact CB-CG1 4.08Å; L146-I273 HydrophobicContact CB-CG2 4.2Å; L147-I273 HydrophobicContact CD2-CD1 4.36Å; L147-I273 HydrophobicContact CD2-CG1 3.97Å; V151-I273 HydrophobicContact CG2-CG2 4.43Å; C244-I273 PolarHBondContact O-N 2.81Å; I245-I273 CarbonylContact C-O 3.47Å; I245-I273 WeakPolarHBondContact CA-O 3.11Å; I245-I273 HydrophobicContact CG1-CB 4.34Å; I245-I273 HydrophobicContact CG1-CD1 4.32Å; Y246-I273 PolarHBondContact N-O 2.87Å; I273-V275 HydrophobicContact CG2-CG2 4.45Å; I273-M296 HydrophobicContact CD1-CB 4.28Å; I273-M296 HydrophobicContact CG2-SD 4.08Å; I273-F300 HydrophobicContact CD1-CE2 3.91Å; I273-F300 HydrophobicContact CD1-CZ 4.28Å |
| 274 | V | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 116.2 | 173.3 | -179 | 0 | 0 | 0 | 0 | 109.3 | R149 V150 V151 Y246 V256 V260 M269 T272 | R149-V274 PolarHBondContact O-N 3.44Å; R149-V274 VanDerWaalsContact O-N 3.11Å; V150-V274 CarbonylContact C-O 3.56Å; V150-V274 WeakPolarHBondContact CA-O 3.34Å; V150-V274 HydrophobicContact CB-CB 4.45Å; V150-V274 HydrophobicContact CG1-CB 4.06Å; V150-V274 HydrophobicContact CG1-CG1 3.97Å; V150-V274 HydrophobicContact CG2-CB 4.21Å; V151-V274 PolarHBondContact N-O 2.88Å; Y246-V274 HydrophobicContact CD1-CG1 4.39Å; Y246-V274 CarbonylContact O-C 3.47Å; Y246-V274 WeakPolarHBondContact O-CA 3.32Å; V256-V274 HydrophobicContact CG1-CG1 4.32Å; V260-V274 HydrophobicContact CG2-CG1 4.27Å; V260-V274 HydrophobicContact CG2-CG2 4.23Å; M269-V274 HydrophobicContact CE-CG2 4.09Å; M269-V274 HydrophobicContact SD-CG2 4.13Å; T272-V274 HydrophobicContact CG2-CG2 4.29Å |
| 275 | V | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 126.3 | 172.2 | -176.1 | 0 | 0 | 0 | 0 | 107.9 | V151 I245 Y246 V247 A248 I273 A289 M296 | V151-V275 HydrophobicContact CG2-CB 4.41Å; V151-V275 HydrophobicContact CG2-CG2 3.9Å; V151-V275 CarbonylContact O-C 3.48Å; V151-V275 WeakPolarHBondContact O-CA 3.35Å; I245-V275 HydrophobicContact CG2-CG2 4.35Å; Y246-V275 PolarHBondContact O-N 3.11Å; V247-V275 CarbonylContact C-O 3.57Å; V247-V275 WeakPolarHBondContact CA-O 3.39Å; V247-V275 HydrophobicContact CG1-CB 4.25Å; V247-V275 HydrophobicContact CG1-CG1 4.37Å; V247-V275 HydrophobicContact CG2-CB 4.32Å; A248-V275 PolarHBondContact N-O 3.35Å; I273-V275 HydrophobicContact CG2-CG2 4.45Å; V275-A289 HydrophobicContact CG1-CB 4.18Å; V275-M296 HydrophobicContact CG2-CE 4.44Å; V275-M296 HydrophobicContact CG2-SD 3.63Å |
| 276 | S | 98.1 | Very high | 96.3 | Very high | 5 Ų | 5 | 25.3 Ų | 25.3 | 4% | 0.035 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 120.4 | -176.3 | -160.9 | 0 | 0 | 0 | 0 | 111.9 | V151 D152 T278 | V151-S276 PolarHBondContact O-N 2.98Å; D152-S276 WeakPolarHBondContact CA-O 3.32Å; S276-T278 WeakPolarHBondContact OG-CG2 3.31Å |
| 277 | A | 97.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 98.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | A153 A248 I249 G250 L285 Q286 A289 | A153-A277 HydrophobicContact CB-CB 4.5Å; A248-A277 PolarHBondContact O-N 3.43Å; I249-A277 CarbonylContact C-O 3.57Å; G250-A277 PolarHBondContact N-O 3.27Å; A277-L285 HydrophobicContact CB-CB 4.44Å; A277-Q286 HydrophobicContact CB-CB 4.47Å; A277-Q286 HydrophobicContact CB-CG 4.14Å; A277-A289 HydrophobicContact CB-CB 3.7Å |
| 278 | T | 96.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 22.3 Ų | 22.3 | 4% | 0.037 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 167.1 | -174.7 | 64.3 | 0 | 0 | 0 | 0 | 112.2 | Q251 R253 S276 S280 D281 Q286 | Q251-T278 CarbonylContact O-C 3.59Å; Q251-T278 VanDerWaalsContact O-CA 3.28Å; Q251-T278 WeakPolarHBondContact O-CA 3.44Å; Q251-T278 WeakPolarHBondContact O-CB 3.42Å; R253-T278 HydrophobicContact CB-CG2 4.22Å; S276-T278 WeakPolarHBondContact OG-CG2 3.31Å; T278-S280 PolarHBondContact O-N 3.07Å; T278-S280 VanDerWaalsContact O-N 3.14Å; T278-S280 PolarHBondContact OG1-OG 3.13Å; T278-D281 WeakPolarHBondContact CA-OD2 3.35Å; T278-D281 WeakPolarHBondContact CB-OD2 3.22Å; T278-D281 PolarHBondContact N-OD2 2.88Å; T278-D281 WeakPolarHBondContact O-CB 3.47Å; T278-D281 PolarHBondContact O-N 3.06Å; T278-D281 VanDerWaalsContact OG1-CG 3.23Å; T278-D281 PolarHBondContact OG1-OD1 2.93Å; T278-D281 PolarHBondContact OG1-OD2 3.2Å; T278-Q286 PolarHBondContact O-NE2 3.3Å |
| 279 | A | 94.3 | Very high | 96.3 | Very high | 61 Ų | 61 | 22.3 Ų | 22.3 | 50% | 0.504 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q251 D281 | Q251-A279 PolarHBondContact O-N 2.95Å; A279-D281 VanDerWaalsContact C-N 3.33Å |
| 280 | S | 92.4 | Very high | 96.4 | Very high | 84 Ų | 84 | 21.7 Ų | 21.7 | 59% | 0.587 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -15.3 | 176 | 54.9 | 0 | 0 | 0 | 0 | 113.3 | T278 | T278-S280 PolarHBondContact O-N 3.07Å; T278-S280 VanDerWaalsContact O-N 3.14Å; T278-S280 PolarHBondContact OG1-OG 3.13Å |
| 281 | D | 93.6 | Very high | 96.4 | Very high | 49 Ų | 49 | 15.6 Ų | 15.6 | 26% | 0.262 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -83.2 | 153.2 | -177.7 | -55.7 | -34.7 | 0 | 0 | 0 | 109.9 | T278 A279 L285 Q286 | T278-D281 WeakPolarHBondContact CA-OD2 3.35Å; T278-D281 WeakPolarHBondContact CB-OD2 3.22Å; T278-D281 PolarHBondContact N-OD2 2.88Å; T278-D281 WeakPolarHBondContact O-CB 3.47Å; T278-D281 PolarHBondContact O-N 3.06Å; T278-D281 VanDerWaalsContact OG1-CG 3.23Å; T278-D281 PolarHBondContact OG1-OD1 2.93Å; T278-D281 PolarHBondContact OG1-OD2 3.2Å; A279-D281 VanDerWaalsContact C-N 3.33Å; D281-L285 HydrophobicContact CB-CB 4.49Å; D281-L285 HydrophobicContact CB-CD1 4.17Å; D281-Q286 PolarHBondContact O-NE2 2.9Å |
| 282 | A | 93.1 | Very high | 96.4 | Very high | 27 Ų | 27 | 15.1 Ų | 15.1 | 22% | 0.223 | 10% | 0.101 | C | C | . | . | trans | -57.7 | 142.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P284 L285 Q286 | A282-P284 WeakPolarHBondContact O-CD 3.47Å; A282-L285 WeakPolarHBondContact O-CB 3.49Å; A282-L285 PolarHBondContact O-N 2.98Å; A282-Q286 PolarHBondContact O-N 2.78Å | ||
| 283 | A | 94 | Very high | 96.4 | Very high | 12 Ų | 12 | 15.1 Ų | 15.1 | 10% | 0.099 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -45.2 | -37.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | L285 Q286 Y287 A320 M324 | A283-L285 VanDerWaalsContact C-N 3.32Å; A283-L285 PolarHBondContact O-N 3.17Å; A283-Q286 WeakPolarHBondContact O-CB 3.42Å; A283-Q286 PolarHBondContact O-N 2.67Å; A283-Q286 VanDerWaalsContact O-N 3.17Å; A283-Y287 PolarHBondContact O-N 2.8Å; A283-A320 HydrophobicContact CB-CB 4.21Å; A283-M324 HydrophobicContact CB-CG 4.37Å |
| 284 | P | 94.3 | Very high | 96.4 | Very high | 7 Ų | 7 | 15.1 Ų | 15.1 | 5% | 0.045 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.8 | -31.2 | 179.8 | -20.7 | 36.9 | 0 | 0 | 0 | 113.7 | V117 F119 A282 L288 M324 | V117-P284 HydrophobicContact CB-CG 4.38Å; V117-P284 HydrophobicContact CG1-CB 3.37Å; V117-P284 HydrophobicContact CG1-CG 2.93Å; F119-P284 HydrophobicContact CD1-CB 3.74Å; F119-P284 HydrophobicContact CE1-CB 3.69Å; A282-P284 WeakPolarHBondContact O-CD 3.47Å; P284-L288 VanDerWaalsContact O-CB 3.25Å; P284-L288 WeakPolarHBondContact O-CB 3.41Å; P284-L288 PolarHBondContact O-N 3.39Å; P284-M324 HydrophobicContact CB-CE 4.29Å; P284-M324 HydrophobicContact CB-SD 4.12Å; P284-M324 HydrophobicContact CG-CG 4.35Å; P284-M324 HydrophobicContact CG-SD 4.22Å |
| 285 | L | 95.2 | Very high | 96.4 | Very high | 22 Ų | 22 | 15.1 Ų | 15.1 | 12% | 0.115 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -71.1 | -39 | 173.4 | -67.1 | 169.6 | 0 | 0 | 0 | 110.9 | F119 A153 L154 A277 D281 A282 A283 Y287 L288 A289 | F119-L285 HydrophobicContact CB-CD2 4.02Å; F119-L285 HydrophobicContact CB-CG 4.39Å; F119-L285 HydrophobicContact CD1-CD2 3.98Å; F119-L285 HydrophobicContact CD1-CG 4.26Å; F119-L285 HydrophobicContact CG-CD2 4.17Å; A153-L285 HydrophobicContact CB-CB 4.14Å; A153-L285 HydrophobicContact CB-CD2 3.95Å; A153-L285 WeakPolarHBondContact CB-O 3.42Å; L154-L285 HydrophobicContact CD1-CD2 4.34Å; L154-L285 HydrophobicContact CD2-CD2 4.48Å; L154-L285 HydrophobicContact CG-CD2 4.02Å; A277-L285 HydrophobicContact CB-CB 4.44Å; D281-L285 HydrophobicContact CB-CB 4.49Å; D281-L285 HydrophobicContact CB-CD1 4.17Å; A282-L285 WeakPolarHBondContact O-CB 3.49Å; A282-L285 PolarHBondContact O-N 2.98Å; A283-L285 VanDerWaalsContact C-N 3.32Å; A283-L285 PolarHBondContact O-N 3.17Å; L285-Y287 VanDerWaalsContact C-N 3.34Å; L285-L288 PolarHBondContact O-N 3.26Å; L285-A289 WeakPolarHBondContact O-CB 3.34Å; L285-A289 PolarHBondContact O-N 2.88Å |
| 286 | Q | 97.1 | Very high | 96.4 | Very high | 27 Ų | 27 | 15.1 Ų | 15.1 | 13% | 0.126 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.2 | -38.5 | 175.1 | -59.4 | -178.1 | 35.4 | 0 | 0 | 111.8 | I249 A277 T278 D281 A282 A283 P290 A320 | I249-Q286 HydrophobicContact CG2-CB 4.21Å; A277-Q286 HydrophobicContact CB-CB 4.47Å; A277-Q286 HydrophobicContact CB-CG 4.14Å; T278-Q286 PolarHBondContact O-NE2 3.3Å; D281-Q286 PolarHBondContact O-NE2 2.9Å; A282-Q286 PolarHBondContact O-N 2.78Å; A283-Q286 WeakPolarHBondContact O-CB 3.42Å; A283-Q286 PolarHBondContact O-N 2.67Å; A283-Q286 VanDerWaalsContact O-N 3.17Å; Q286-P290 WeakPolarHBondContact O-CD 3.41Å; Q286-A320 HydrophobicContact CB-CB 3.94Å |
| 287 | Y | 95.8 | Very high | 96.4 | Very high | 9 Ų | 9 | 14.9 Ų | 14.9 | 4% | 0.035 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 171.6 | 163.4 | -92.7 | 0 | 0 | 0 | 112.4 | M105 A283 L285 Y291 Q317 Y321 M324 L344 R347 | M105-Y287 HydrophobicContact CE-CE1 4.1Å; A283-Y287 PolarHBondContact O-N 2.8Å; L285-Y287 VanDerWaalsContact C-N 3.34Å; Y287-Y291 HydrophobicContact CE2-CE2 4.48Å; Y287-Q317 PolarHBondContact O-NE2 2.7Å; Y287-Y321 AromaticContact CD2-CD2 3.52Å; Y287-Y321 HydrophobicContact CD2-CD2 3.52Å; Y287-Y321 HydrophobicContact CD2-CE2 4.37Å; Y287-Y321 HydrophobicContact CD2-CG 4.01Å; Y287-Y321 AromaticContact CE2-CD2 3.29Å; Y287-Y321 HydrophobicContact CE2-CD2 3.29Å; Y287-Y321 AromaticContact CE2-CE2 3.71Å; Y287-Y321 HydrophobicContact CE2-CE2 3.71Å; Y287-Y321 AromaticContact CE2-CG 3.98Å; Y287-Y321 HydrophobicContact CE2-CG 3.98Å; Y287-M324 HydrophobicContact CD1-CE 4.14Å; Y287-M324 HydrophobicContact CD1-SD 4.4Å; Y287-M324 HydrophobicContact CD2-SD 4.35Å; Y287-M324 HydrophobicContact CG-CE 4.15Å; Y287-M324 HydrophobicContact CG-SD 3.9Å; Y287-L344 HydrophobicContact CD2-CD1 3.95Å; Y287-L344 HydrophobicContact CE2-CD1 3.28Å; Y287-R347 PolarHBondContact OH-NH2 3.47Å |
| 288 | L | 96.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -78.5 | -35.3 | -172.7 | -176.3 | 64.2 | 0 | 0 | 0 | 113.3 | F119 V138 A153 L154 V172 P284 L285 P290 Y291 S292 | F119-L288 HydrophobicContact CE1-CD2 4.33Å; F119-L288 HydrophobicContact CZ-CD2 4.1Å; V138-L288 HydrophobicContact CG1-CD1 4.06Å; V138-L288 HydrophobicContact CG1-CD2 3.96Å; A153-L288 HydrophobicContact CB-CB 4.4Å; L154-L288 HydrophobicContact CD2-CD2 3.69Å; V172-L288 HydrophobicContact CB-CD1 4.26Å; V172-L288 HydrophobicContact CG1-CD1 4.34Å; V172-L288 HydrophobicContact CG2-CD1 3.78Å; P284-L288 VanDerWaalsContact O-CB 3.25Å; P284-L288 WeakPolarHBondContact O-CB 3.41Å; P284-L288 PolarHBondContact O-N 3.39Å; L285-L288 PolarHBondContact O-N 3.26Å; L288-P290 VanDerWaalsContact C-CD 3.48Å; L288-P290 VanDerWaalsContact C-N 3.33Å; L288-P290 VanDerWaalsContact O-N 3.12Å; L288-Y291 WeakPolarHBondContact O-CB 3.25Å; L288-Y291 PolarHBondContact O-N 3.42Å; L288-S292 PolarHBondContact O-N 2.83Å; L288-S292 VanDerWaalsContact O-N 3.11Å; L288-S292 PolarHBondContact O-OG 2.95Å |
| 289 | A | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -49.6 | -41.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A153 V247 V275 A277 L285 Y291 S292 G293 | A153-A289 HydrophobicContact CB-CB 3.92Å; V247-A289 HydrophobicContact CG1-CB 4Å; V275-A289 HydrophobicContact CG1-CB 4.18Å; A277-A289 HydrophobicContact CB-CB 3.7Å; L285-A289 WeakPolarHBondContact O-CB 3.34Å; L285-A289 PolarHBondContact O-N 2.88Å; A289-Y291 PolarHBondContact O-N 3.48Å; A289-S292 PolarHBondContact O-N 3.36Å; A289-G293 PolarHBondContact O-N 3.13Å |
| 290 | P | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64 | -37.3 | 176.5 | -27.9 | 41.6 | 0 | 0 | 0 | 113.7 | V247 I249 Q286 L288 C294 Y311 L314 Q317 L348 | V247-P290 HydrophobicContact CG1-CG 4.39Å; I249-P290 HydrophobicContact CD1-CG 3.47Å; I249-P290 VanDerWaalsContact CD1-CG 3.47Å; I249-P290 HydrophobicContact CG1-CG 3.87Å; Q286-P290 WeakPolarHBondContact O-CD 3.41Å; L288-P290 VanDerWaalsContact C-CD 3.48Å; L288-P290 VanDerWaalsContact C-N 3.33Å; L288-P290 VanDerWaalsContact O-N 3.12Å; P290-C294 WeakPolarHBondContact O-CB 3.46Å; P290-C294 PolarHBondContact O-N 3.3Å; P290-Y311 HydrophobicContact CB-CD1 3.8Å; P290-Y311 HydrophobicContact CB-CE1 3.94Å; P290-L314 HydrophobicContact CB-CD2 4.38Å; P290-L314 HydrophobicContact CG-CD2 4.3Å; P290-Q317 HydrophobicContact CG-CB 4.45Å; P290-Q317 HydrophobicContact CG-CG 4.01Å; P290-L348 HydrophobicContact CB-CD1 4.18Å; P290-L348 HydrophobicContact CB-CD2 3.6Å |
| 291 | Y | 98.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 10.6 Ų | 10.6 | 2% | 0.02 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -69.6 | -38.3 | 176.5 | -67.1 | -69.1 | 0 | 0 | 0 | 112.1 | Y287 L288 A289 C294 S295 L344 R347 L348 | Y287-Y291 HydrophobicContact CE2-CE2 4.48Å; L288-Y291 WeakPolarHBondContact O-CB 3.25Å; L288-Y291 PolarHBondContact O-N 3.42Å; A289-Y291 PolarHBondContact O-N 3.48Å; Y291-C294 PolarHBondContact O-N 3.2Å; Y291-S295 PolarHBondContact O-N 3.37Å; Y291-S295 PolarHBondContact O-OG 2.86Å; Y291-L344 HydrophobicContact CE2-CD1 3.96Å; Y291-L344 WeakPolarHBondContact OH-CD1 3.23Å; Y291-L344 PolarHBondContact OH-O 2.84Å; Y291-R347 HydrophobicContact CE1-CG 4.01Å; Y291-R347 PolarHBondContact OH-NE 2.97Å; Y291-R347 PolarHBondContact OH-NH2 2.65Å; Y291-L348 HydrophobicContact CD1-CB 4.47Å; Y291-L348 HydrophobicContact CD1-CD1 3.77Å; Y291-L348 HydrophobicContact CE1-CB 3.76Å; Y291-L348 HydrophobicContact CE1-CD1 3.92Å; Y291-L348 HydrophobicContact CE1-CG 4.39Å; Y291-L348 HydrophobicContact CG-CD1 4.38Å |
| 292 | S | 98 | Very high | 97 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.8 | -50.1 | 174.8 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | A153 L288 A289 C294 S295 M296 | A153-S292 VanDerWaalsContact O-CB 3.29Å; A153-S292 WeakPolarHBondContact O-CB 2.79Å; A153-S292 PolarHBondContact O-OG 3.5Å; L288-S292 PolarHBondContact O-N 2.83Å; L288-S292 VanDerWaalsContact O-N 3.11Å; L288-S292 PolarHBondContact O-OG 2.95Å; A289-S292 PolarHBondContact O-N 3.36Å; S292-C294 VanDerWaalsContact C-N 3.32Å; S292-C294 PolarHBondContact O-N 2.81Å; S292-S295 PolarHBondContact O-N 3.01Å; S292-M296 WeakPolarHBondContact O-CG 3.29Å; S292-M296 PolarHBondContact O-N 3.43Å; S292-M296 VanDerWaalsContact O-N 3.08Å |
| 293 | G | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A289 S295 M296 G297 I309 | A289-G293 PolarHBondContact O-N 3.13Å; G293-S295 VanDerWaalsContact C-N 3.33Å; G293-S295 PolarHBondContact O-N 3.08Å; G293-M296 PolarHBondContact O-N 3.08Å; G293-G297 PolarHBondContact O-N 3.31Å; G293-I309 WeakPolarHBondContact O-CD1 3.45Å |
| 294 | C | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 175.4 | -172.9 | 0 | 0 | 0 | 0 | 111 | P290 Y291 S292 M296 G297 E298 I309 L348 R351 | P290-C294 WeakPolarHBondContact O-CB 3.46Å; P290-C294 PolarHBondContact O-N 3.3Å; Y291-C294 PolarHBondContact O-N 3.2Å; S292-C294 VanDerWaalsContact C-N 3.32Å; S292-C294 PolarHBondContact O-N 2.81Å; C294-M296 VanDerWaalsContact C-N 3.32Å; C294-M296 PolarHBondContact O-N 3.34Å; C294-G297 CarbonylContact O-C 3.49Å; C294-G297 WeakPolarHBondContact O-CA 3.39Å; C294-G297 PolarHBondContact O-N 2.6Å; C294-E298 WeakPolarHBondContact O-CG 3.33Å; C294-E298 PolarHBondContact O-N 2.98Å; C294-I309 HydrophobicContact CB-CD1 4.31Å; C294-I309 VanDerWaalsContact N-CD1 3.35Å; C294-L348 HydrophobicContact CB-CD1 3.86Å; C294-R351 VanDerWaalsContact SG-CZ 3.58Å; C294-R351 PolarHBondContact SG-NE 3.09Å |
| 295 | S | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.5 | -35.1 | 179.9 | -52.1 | 0 | 0 | 0 | 0 | 112.9 | R171 V172 Y291 S292 G293 E298 Y299 R351 | R171-S295 PolarHBondContact O-OG 3.35Å; V172-S295 WeakPolarHBondContact CA-OG 3.36Å; V172-S295 PolarHBondContact O-OG 3Å; Y291-S295 PolarHBondContact O-N 3.37Å; Y291-S295 PolarHBondContact O-OG 2.86Å; S292-S295 PolarHBondContact O-N 3.01Å; G293-S295 VanDerWaalsContact C-N 3.33Å; G293-S295 PolarHBondContact O-N 3.08Å; S295-E298 PolarHBondContact O-N 3.37Å; S295-Y299 PolarHBondContact O-N 3.37Å; S295-R351 PolarHBondContact OG-NH2 3.09Å |
| 296 | M | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66 | -39.1 | 171 | -64.2 | 168.5 | -174.9 | 0 | 0 | 111.6 | V140 V142 L146 V151 I273 V275 S292 G293 C294 Y299 F300 | V140-M296 HydrophobicContact CB-CE 4.33Å; V140-M296 HydrophobicContact CG2-CE 4.38Å; V142-M296 HydrophobicContact CG1-CG 4.35Å; L146-M296 HydrophobicContact CD2-CE 3.73Å; L146-M296 HydrophobicContact CD2-CG 4.21Å; L146-M296 HydrophobicContact CD2-SD 3.81Å; V151-M296 HydrophobicContact CG2-CE 3.82Å; V151-M296 HydrophobicContact CG2-SD 4.13Å; I273-M296 HydrophobicContact CD1-CB 4.28Å; I273-M296 HydrophobicContact CG2-SD 4.08Å; V275-M296 HydrophobicContact CG2-CE 4.44Å; V275-M296 HydrophobicContact CG2-SD 3.63Å; S292-M296 WeakPolarHBondContact O-CG 3.29Å; S292-M296 PolarHBondContact O-N 3.43Å; S292-M296 VanDerWaalsContact O-N 3.08Å; G293-M296 PolarHBondContact O-N 3.08Å; C294-M296 VanDerWaalsContact C-N 3.32Å; C294-M296 PolarHBondContact O-N 3.34Å; M296-Y299 WeakPolarHBondContact O-CB 3.45Å; M296-F300 WeakPolarHBondContact O-CD2 3.45Å |
| 297 | G | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.7 | -36.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G293 C294 Y299 F300 R301 | G293-G297 PolarHBondContact O-N 3.31Å; C294-G297 CarbonylContact O-C 3.49Å; C294-G297 WeakPolarHBondContact O-CA 3.39Å; C294-G297 PolarHBondContact O-N 2.6Å; G297-Y299 PolarHBondContact O-N 3.33Å; G297-F300 PolarHBondContact O-N 3.29Å; G297-F300 VanDerWaalsContact O-N 3.15Å; G297-R301 PolarHBondContact O-N 2.62Å |
| 298 | E | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.2 | -29.1 | 177.6 | -73 | -171.4 | 144.7 | 0 | 0 | 113 | R170 C294 S295 F300 R301 D302 R351 L364 | R170-E298 IonicContact CZ-OE2 3.79Å; R170-E298 IonicContact NH2-OE2 2.83Å; C294-E298 WeakPolarHBondContact O-CG 3.33Å; C294-E298 PolarHBondContact O-N 2.98Å; S295-E298 PolarHBondContact O-N 3.37Å; E298-F300 VanDerWaalsContact C-N 3.26Å; E298-F300 PolarHBondContact O-N 2.86Å; E298-R301 PolarHBondContact O-N 3.03Å; E298-R301 IonicContact OE1-CZ 2.84Å; E298-R301 IonicContact OE1-NH1 3.35Å; E298-R301 PolarHBondContact OE1-NH1 3.43Å; E298-R301 IonicContact OE1-NH2 2.98Å; E298-R301 PolarHBondContact OE1-NH2 3.42Å; E298-D302 WeakPolarHBondContact O-CB 3.37Å; E298-D302 VanDerWaalsContact O-CG 3.27Å; E298-D302 PolarHBondContact O-N 2.96Å; E298-R351 VanDerWaalsContact CD-NE 3.34Å; E298-R351 WeakPolarHBondContact OE1-CB 3.13Å; E298-R351 IonicContact OE1-CZ 2.69Å; E298-R351 IonicContact OE1-NE 3.6Å; E298-R351 PolarHBondContact OE1-NE 3.24Å; E298-R351 IonicContact OE1-NH2 3.66Å; E298-R351 IonicContact OE2-CZ 3.57Å; E298-R351 IonicContact OE2-NE 3.65Å; E298-R351 IonicContact OE2-NH2 2.74Å; E298-R351 PolarHBondContact OE2-NH2 3.49Å; E298-L364 HydrophobicContact CG-CD2 4.15Å |
| 299 | Y | 97.3 | Very high | 97.7 | Very high | 51 Ų | 51 | 14.2 Ų | 14.2 | 20% | 0.2 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -55.3 | -44.1 | 172.4 | 174.1 | -91.2 | 0 | 0 | 0 | 111.4 | V142 E144 S295 M296 G297 N303 | V142-Y299 HydrophobicContact CB-CD2 4.31Å; V142-Y299 HydrophobicContact CB-CG 4.39Å; V142-Y299 HydrophobicContact CG2-CD2 3.97Å; E144-Y299 HydrophobicContact CG-CE1 4.05Å; S295-Y299 PolarHBondContact O-N 3.37Å; M296-Y299 WeakPolarHBondContact O-CB 3.45Å; G297-Y299 PolarHBondContact O-N 3.33Å; Y299-N303 WeakPolarHBondContact CD2-ND2 3.45Å; Y299-N303 VanDerWaalsContact CE2-ND2 3.3Å; Y299-N303 WeakPolarHBondContact CE2-ND2 3.15Å; Y299-N303 WeakPolarHBondContact O-CB 3.48Å; Y299-N303 PolarHBondContact O-N 2.95Å; Y299-N303 PolarHBondContact O-ND2 3.14Å |
| 300 | F | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69.5 | -45.7 | 177.7 | -61.3 | -78.2 | 0 | 0 | 0 | 111.4 | E144 L147 Y243 I245 I273 M296 G297 E298 D302 N303 K305 A307 | E144-F300 HydrophobicContact CG-CE1 4.08Å; L147-F300 HydrophobicContact CD1-CE1 4.41Å; L147-F300 HydrophobicContact CD1-CZ 4.42Å; L147-F300 HydrophobicContact CD2-CE1 4.35Å; L147-F300 HydrophobicContact CD2-CZ 3.73Å; L147-F300 HydrophobicContact CG-CZ 4.16Å; Y243-F300 HydrophobicContact CD1-CD1 4.15Å; Y243-F300 AromaticContact CD1-CE1 3.74Å; Y243-F300 HydrophobicContact CD1-CE1 3.74Å; Y243-F300 HydrophobicContact CD1-CZ 4.31Å; Y243-F300 HydrophobicContact CD2-CB 4.47Å; Y243-F300 AromaticContact CD2-CD1 3.51Å; Y243-F300 HydrophobicContact CD2-CD1 3.51Å; Y243-F300 AromaticContact CD2-CE1 3.98Å; Y243-F300 HydrophobicContact CD2-CE1 3.98Å; Y243-F300 HydrophobicContact CD2-CG 4.12Å; Y243-F300 HydrophobicContact CE1-CE1 4.15Å; Y243-F300 HydrophobicContact CE2-CD1 4.02Å; Y243-F300 HydrophobicContact CE2-CE1 4.4Å; Y243-F300 AromaticContact CG-CD1 3.57Å; Y243-F300 HydrophobicContact CG-CD1 3.57Å; Y243-F300 AromaticContact CG-CE1 3.61Å; Y243-F300 HydrophobicContact CG-CE1 3.61Å; Y243-F300 HydrophobicContact CG-CG 4.15Å; Y243-F300 HydrophobicContact CG-CZ 4.23Å; I245-F300 HydrophobicContact CD1-CD2 4.43Å; I273-F300 HydrophobicContact CD1-CE2 3.91Å; I273-F300 HydrophobicContact CD1-CZ 4.28Å; M296-F300 WeakPolarHBondContact O-CD2 3.45Å; G297-F300 PolarHBondContact O-N 3.29Å; G297-F300 VanDerWaalsContact O-N 3.15Å; E298-F300 VanDerWaalsContact C-N 3.26Å; E298-F300 PolarHBondContact O-N 2.86Å; F300-D302 VanDerWaalsContact C-N 3.31Å; F300-D302 PolarHBondContact O-N 2.87Å; F300-N303 PolarHBondContact O-N 3.19Å; F300-K305 HydrophobicContact CB-CB 4.06Å; F300-K305 HydrophobicContact CD1-CD 4.14Å; F300-K305 CarbonylContact O-C 3.57Å; F300-K305 WeakPolarHBondContact O-CA 3.3Å; F300-K305 VanDerWaalsContact O-CB 3.31Å; F300-K305 WeakPolarHBondContact O-CB 3.39Å; F300-K305 PolarHBondContact O-N 2.96Å; F300-A307 HydrophobicContact CB-CB 3.89Å; F300-A307 HydrophobicContact CD2-CB 4.37Å; F300-A307 HydrophobicContact CG-CB 4.44Å |
| 301 | R | 97.3 | Very high | 97.8 | Very high | 9 Ų | 9 | 14.2 Ų | 14.2 | 3% | 0.034 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -53.9 | -47.7 | 177.6 | -177.9 | -165 | 71.5 | -155.1 | -8.8 | 111.8 | G297 E298 N303 G304 R351 M355 G362 L364 | G297-R301 PolarHBondContact O-N 2.62Å; E298-R301 PolarHBondContact O-N 3.03Å; E298-R301 IonicContact OE1-CZ 2.84Å; E298-R301 IonicContact OE1-NH1 3.35Å; E298-R301 PolarHBondContact OE1-NH1 3.43Å; E298-R301 IonicContact OE1-NH2 2.98Å; E298-R301 PolarHBondContact OE1-NH2 3.42Å; R301-N303 VanDerWaalsContact C-N 3.3Å; R301-N303 PolarHBondContact O-N 3Å; R301-G304 PolarHBondContact O-N 2.68Å; R301-R351 PolarHBondContact NH1-O 2.83Å; R301-M355 HydrophobicContact CG-CG 3.78Å; R301-G362 VanDerWaalsContact O-CA 3.31Å; R301-G362 WeakPolarHBondContact O-CA 2.87Å; R301-L364 HydrophobicContact CB-CB 4.2Å; R301-L364 HydrophobicContact CG-CB 4.37Å |
| 302 | D | 96.6 | Very high | 97.8 | Very high | 57 Ų | 57 | 14.1 Ų | 14.1 | 31% | 0.305 | 8% | 0.077 | S | C | . | . | H | α-helix | trans | -80 | -14.5 | -172.7 | -62.9 | -15.5 | 0 | 0 | 0 | 112.8 | R170 E298 F300 | R170-D302 IonicContact CZ-OD2 2.81Å; R170-D302 IonicContact NH1-OD2 2.85Å; R170-D302 PolarHBondContact NH1-OD2 3.25Å; R170-D302 IonicContact NH2-OD2 3.41Å; R170-D302 PolarHBondContact NH2-OD2 3.27Å; E298-D302 WeakPolarHBondContact O-CB 3.37Å; E298-D302 VanDerWaalsContact O-CG 3.27Å; E298-D302 PolarHBondContact O-N 2.96Å; F300-D302 VanDerWaalsContact C-N 3.31Å; F300-D302 PolarHBondContact O-N 2.87Å |
| 303 | N | 95.8 | Very high | 97.7 | Very high | 93 Ų | 93 | 14.2 Ų | 14.2 | 50% | 0.497 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 24.3 | 172.4 | -70.7 | -58.4 | 0 | 0 | 0 | 112.7 | Y299 F300 R301 K305 | Y299-N303 WeakPolarHBondContact CD2-ND2 3.45Å; Y299-N303 VanDerWaalsContact CE2-ND2 3.3Å; Y299-N303 WeakPolarHBondContact CE2-ND2 3.15Å; Y299-N303 WeakPolarHBondContact O-CB 3.48Å; Y299-N303 PolarHBondContact O-N 2.95Å; Y299-N303 PolarHBondContact O-ND2 3.14Å; F300-N303 PolarHBondContact O-N 3.19Å; R301-N303 VanDerWaalsContact C-N 3.3Å; R301-N303 PolarHBondContact O-N 3Å; N303-K305 PolarHBondContact O-N 3.18Å |
| 304 | G | 95.4 | Very high | 97.7 | Very high | 31 Ų | 31 | 14.2 Ų | 14.2 | 32% | 0.32 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 12.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R301 G360 | R301-G304 PolarHBondContact O-N 2.68Å; G304-G360 WeakPolarHBondContact CA-O 3.26Å |
| 305 | K | 97 | Very high | 97.6 | Very high | 39 Ų | 39 | 15.2 Ų | 15.2 | 17% | 0.17 | 8% | 0.084 | C | C | . | . | trans | -98.5 | 167.2 | 177.2 | -63.6 | 175.7 | 168.4 | -153.1 | 0 | 110.6 | E144 E238 Y243 F300 N303 G362 S363 | E144-K305 IonicContact OE1-NZ 3.39Å; E144-K305 PolarHBondContact OE1-NZ 3.35Å; E144-K305 IonicContact OE2-NZ 2.6Å; E238-K305 IonicContact OE2-NZ 3.09Å; Y243-K305 HydrophobicContact CD2-CB 4.2Å; Y243-K305 HydrophobicContact CD2-CD 4.4Å; Y243-K305 HydrophobicContact CE2-CB 3.99Å; Y243-K305 HydrophobicContact CE2-CD 3.62Å; Y243-K305 HydrophobicContact CE2-CG 4.12Å; Y243-K305 PolarHBondContact OH-NZ 2.96Å; F300-K305 HydrophobicContact CB-CB 4.06Å; F300-K305 HydrophobicContact CD1-CD 4.14Å; F300-K305 CarbonylContact O-C 3.57Å; F300-K305 WeakPolarHBondContact O-CA 3.3Å; F300-K305 VanDerWaalsContact O-CB 3.31Å; F300-K305 WeakPolarHBondContact O-CB 3.39Å; F300-K305 PolarHBondContact O-N 2.96Å; N303-K305 PolarHBondContact O-N 3.18Å; K305-G362 CarbonylContact O-C 3.58Å; K305-G362 WeakPolarHBondContact O-CA 3.34Å; K305-S363 PolarHBondContact O-N 3.48Å | ||
| 306 | H | 98.2 | Very high | 97.6 | Very high | 11 Ų | 11 | 17.8 Ų | 17.8 | 5% | 0.051 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.8 | 177.2 | -55.8 | -80.5 | 0 | 0 | 0 | 110.3 | E187 R204 K239 L242 Y243 S363 | E187-H306 IonicContact OE2-CE1 3.57Å; E187-H306 PolarHBondContact OE2-CE1 2.83Å; E187-H306 IonicContact OE2-NE2 2.77Å; R204-H306 PolarHBondContact NH1-CD2 2.92Å; R204-H306 PolarHBondContact NH1-NE2 2.81Å; K239-H306 PolarHBondContact O-CD2 3.3Å; K239-H306 PolarHBondContact O-NE2 3.35Å; L242-H306 WeakPolarHBondContact CA-O 3.18Å; L242-H306 HydrophobicContact CD1-CB 3.6Å; Y243-H306 WeakPolarHBondContact CD2-O 3.22Å; Y243-H306 PolarHBondContact N-O 3.03Å; H306-S363 CarbonylContact C-O 3.5Å; H306-S363 WeakPolarHBondContact CA-O 3.32Å; H306-S363 WeakPolarHBondContact CB-OG 3.49Å; H306-S363 PolarHBondContact ND1-OG 2.96Å |
| 307 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 153.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y243 I245 F300 S363 L364 T365 | Y243-A307 CarbonylContact O-C 3.54Å; Y243-A307 WeakPolarHBondContact O-CA 3.49Å; Y243-A307 WeakPolarHBondContact O-CB 3.38Å; I245-A307 HydrophobicContact CD1-CB 3.99Å; F300-A307 HydrophobicContact CB-CB 3.89Å; F300-A307 HydrophobicContact CD2-CB 4.37Å; F300-A307 HydrophobicContact CG-CB 4.44Å; A307-S363 PolarHBondContact N-O 2.92Å; A307-L364 HydrophobicContact CB-CD1 3.8Å; A307-T365 PolarHBondContact O-N 3.08Å |
| 308 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127 | 171.7 | 173.1 | 65 | 0 | 0 | 0 | 108.1 | M189 T225 I226 L242 Y243 C244 I245 I310 T365 L367 | M189-L308 HydrophobicContact CE-CD1 4.12Å; M189-L308 HydrophobicContact SD-CD2 4.46Å; T225-L308 HydrophobicContact CG2-CD2 3.58Å; I226-L308 HydrophobicContact CG1-CD2 4.5Å; L242-L308 HydrophobicContact CD1-CB 4.5Å; L242-L308 HydrophobicContact CD2-CB 3.83Å; L242-L308 HydrophobicContact CD2-CD2 4.36Å; L242-L308 HydrophobicContact CG-CB 4.1Å; Y243-L308 PolarHBondContact O-N 3.4Å; C244-L308 CarbonylContact C-O 3.45Å; C244-L308 WeakPolarHBondContact CA-O 3.23Å; I245-L308 PolarHBondContact N-O 3.32Å; L308-I310 HydrophobicContact CD2-CD1 4.37Å; L308-I310 HydrophobicContact CG-CG1 4.3Å; L308-T365 CarbonylContact C-O 3.54Å; L308-T365 WeakPolarHBondContact CA-O 3.07Å; L308-T365 HydrophobicContact CD1-CG2 4.21Å; L308-L367 HydrophobicContact CD1-CD1 3.82Å; L308-L367 HydrophobicContact CD1-CG 3.79Å |
| 309 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 134.7 | 172.9 | -173.4 | 159.1 | 0 | 0 | 0 | 111.1 | I245 V247 G293 C294 Y311 L364 T365 A366 L367 | I245-I309 HydrophobicContact CB-CB 4.31Å; I245-I309 HydrophobicContact CB-CD1 4.33Å; I245-I309 HydrophobicContact CB-CG1 4.1Å; I245-I309 HydrophobicContact CG2-CD1 4.07Å; I245-I309 HydrophobicContact CG2-CG1 4.17Å; I245-I309 CarbonylContact O-C 3.49Å; I245-I309 WeakPolarHBondContact O-CA 3.48Å; V247-I309 HydrophobicContact CG2-CD1 4.04Å; V247-I309 HydrophobicContact CG2-CG1 4.15Å; G293-I309 WeakPolarHBondContact O-CD1 3.45Å; C294-I309 HydrophobicContact CB-CD1 4.31Å; C294-I309 VanDerWaalsContact N-CD1 3.35Å; I309-Y311 HydrophobicContact CD1-CD1 4.31Å; I309-Y311 HydrophobicContact CD1-CE1 3.43Å; I309-Y311 VanDerWaalsContact CD1-CE1 3.43Å; I309-Y311 WeakPolarHBondContact CD1-OH 3.3Å; I309-Y311 HydrophobicContact CG1-CD1 4.24Å; I309-Y311 HydrophobicContact CG1-CE1 3.71Å; I309-Y311 HydrophobicContact CG1-CE2 4.25Å; I309-Y311 HydrophobicContact CG2-CE2 3.94Å; I309-L364 HydrophobicContact CB-CD1 4.04Å; I309-L364 HydrophobicContact CG2-CD1 3.74Å; I309-L364 HydrophobicContact CG2-CD2 4.4Å; I309-L364 HydrophobicContact CG2-CG 4.06Å; I309-T365 WeakPolarHBondContact CG2-O 3.48Å; I309-T365 PolarHBondContact N-O 3.27Å; I309-A366 HydrophobicContact CG2-CB 3.88Å; I309-A366 CarbonylContact O-C 3.5Å; I309-A366 WeakPolarHBondContact O-CA 3.43Å; I309-L367 PolarHBondContact O-N 3.41Å |
| 310 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.1 | 178.8 | -50.7 | -170.3 | 0 | 0 | 0 | 108.3 | A222 I226 I245 Y246 V247 L308 L367 V369 | A222-I310 HydrophobicContact CB-CD1 3.58Å; A222-I310 HydrophobicContact CB-CG2 3.72Å; A222-I310 WeakPolarHBondContact O-CD1 3.39Å; I226-I310 HydrophobicContact CD1-CD1 3.74Å; I226-I310 HydrophobicContact CG1-CD1 3.86Å; I245-I310 PolarHBondContact O-N 3.27Å; Y246-I310 HydrophobicContact CD2-CB 3.99Å; Y246-I310 HydrophobicContact CD2-CD1 4.42Å; Y246-I310 HydrophobicContact CD2-CG2 4.01Å; Y246-I310 HydrophobicContact CE2-CG2 4.03Å; V247-I310 WeakPolarHBondContact CB-O 3.47Å; V247-I310 PolarHBondContact N-O 2.63Å; L308-I310 HydrophobicContact CD2-CD1 4.37Å; L308-I310 HydrophobicContact CG-CG1 4.3Å; I310-L367 WeakPolarHBondContact CA-O 3.37Å; I310-L367 HydrophobicContact CD1-CD1 4.33Å; I310-L367 HydrophobicContact CG1-CB 4.27Å; I310-L367 HydrophobicContact CG1-CD1 4.4Å; I310-V369 HydrophobicContact CG2-CG2 4.36Å |
| 311 | Y | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 107.3 | 177.9 | -51.5 | -77.2 | 0 | 0 | 0 | 109.9 | V247 P290 I309 L314 L348 L349 A366 L367 P368 V369 | V247-Y311 HydrophobicContact CB-CD1 4.16Å; V247-Y311 HydrophobicContact CG2-CD1 4.03Å; V247-Y311 HydrophobicContact CG2-CE1 4.32Å; P290-Y311 HydrophobicContact CB-CD1 3.8Å; P290-Y311 HydrophobicContact CB-CE1 3.94Å; I309-Y311 HydrophobicContact CD1-CD1 4.31Å; I309-Y311 HydrophobicContact CD1-CE1 3.43Å; I309-Y311 VanDerWaalsContact CD1-CE1 3.43Å; I309-Y311 WeakPolarHBondContact CD1-OH 3.3Å; I309-Y311 HydrophobicContact CG1-CD1 4.24Å; I309-Y311 HydrophobicContact CG1-CE1 3.71Å; I309-Y311 HydrophobicContact CG1-CE2 4.25Å; I309-Y311 HydrophobicContact CG2-CE2 3.94Å; Y311-L314 HydrophobicContact CD1-CD2 4.37Å; Y311-L314 HydrophobicContact CG-CD2 3.95Å; Y311-L314 HydrophobicContact CG-CG 4.43Å; Y311-L348 HydrophobicContact CE1-CD1 4.24Å; Y311-L348 HydrophobicContact CE1-CD2 4.27Å; Y311-L349 HydrophobicContact CD2-CD2 4.16Å; Y311-L349 HydrophobicContact CE2-CD2 3.79Å; Y311-A366 HydrophobicContact CE2-CB 4.12Å; Y311-L367 PolarHBondContact N-O 2.86Å; Y311-P368 HydrophobicContact CD2-CB 4.17Å; Y311-V369 WeakPolarHBondContact O-CA 3.24Å; Y311-V369 WeakPolarHBondContact O-CB 3.12Å; Y311-V369 WeakPolarHBondContact O-CG2 3.27Å; Y311-V369 PolarHBondContact O-N 3.44Å |
| 312 | D | 97.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 87.6 | -173.9 | -165.7 | -21.1 | 0 | 0 | 0 | 111.5 | T219 Y246 V247 I249 Q251 V369 | T219-D312 WeakPolarHBondContact CB-OD2 3.12Å; T219-D312 WeakPolarHBondContact CG2-OD2 3.5Å; T219-D312 PolarHBondContact OG1-OD2 3.28Å; Y246-D312 HydrophobicContact CE1-CB 4.41Å; Y246-D312 HydrophobicContact CE2-CB 4.11Å; Y246-D312 VanDerWaalsContact OH-CB 3.28Å; Y246-D312 WeakPolarHBondContact OH-CB 3.45Å; Y246-D312 PolarHBondContact OH-OD2 3.49Å; V247-D312 PolarHBondContact O-N 2.67Å; I249-D312 PolarHBondContact N-O 3.11Å; Q251-D312 WeakPolarHBondContact CG-O 3.35Å; Q251-D312 PolarHBondContact NE2-O 3.06Å; Q251-D312 PolarHBondContact NE2-OD1 3.49Å; D312-V369 HydrophobicContact CB-CG2 4.32Å |
| 313 | D | 96.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.011 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -133.5 | 158.6 | 0.8 | 64.8 | 40.4 | 0 | 0 | 0 | 112.7 | I249 S315 K316 Q317 V369 | I249-D313 VanDerWaalsContact CD1-O 3.3Å; I249-D313 WeakPolarHBondContact CD1-O 3.49Å; D313-S315 VanDerWaalsContact C-N 3.26Å; D313-S315 PolarHBondContact O-N 3.33Å; D313-S315 WeakPolarHBondContact OD1-CB 3.35Å; D313-S315 PolarHBondContact OD1-N 3.11Å; D313-K316 PolarHBondContact O-N 2.99Å; D313-K316 WeakPolarHBondContact OD1-CB 3.35Å; D313-K316 WeakPolarHBondContact OD1-CG 3.45Å; D313-K316 PolarHBondContact OD1-N 2.88Å; D313-K316 IonicContact OD1-NZ 3.93Å; D313-K316 IonicContact OD2-NZ 3.76Å; D313-K316 PolarHBondContact OD2-NZ 2.85Å; D313-Q317 PolarHBondContact O-N 3.04Å; D313-V369 HydrophobicContact CB-CB 3.98Å; D313-V369 HydrophobicContact CB-CG1 4.05Å; D313-V369 WeakPolarHBondContact CB-O 3.43Å |
| 314 | L | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -74.4 | -17.9 | -179.6 | -65.2 | -173.4 | 0 | 0 | 0 | 112.5 | I249 P290 Y311 K316 Q317 A318 L348 L349 P368 V369 I370 | I249-L314 HydrophobicContact CD1-CD2 4.12Å; P290-L314 HydrophobicContact CB-CD2 4.38Å; P290-L314 HydrophobicContact CG-CD2 4.3Å; Y311-L314 HydrophobicContact CD1-CD2 4.37Å; Y311-L314 HydrophobicContact CG-CD2 3.95Å; Y311-L314 HydrophobicContact CG-CG 4.43Å; L314-K316 VanDerWaalsContact C-N 3.32Å; L314-K316 PolarHBondContact O-N 3.35Å; L314-Q317 PolarHBondContact O-N 2.76Å; L314-A318 PolarHBondContact O-N 3.34Å; L314-L348 HydrophobicContact CD2-CD2 3.97Å; L314-L349 HydrophobicContact CD1-CD1 4.32Å; L314-L349 HydrophobicContact CD1-CD2 4.31Å; L314-P368 HydrophobicContact CD1-CB 3.5Å; L314-P368 VanDerWaalsContact CD1-CB 3.5Å; L314-P368 HydrophobicContact CG-CB 4.19Å; L314-V369 PolarHBondContact N-O 2.77Å; L314-I370 HydrophobicContact CB-CD1 3.69Å |
| 315 | S | 96.6 | Very high | 96.8 | Very high | 20 Ų | 20 | 18.5 Ų | 18.5 | 14% | 0.14 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.2 | -45.2 | 172.1 | -61.6 | 0 | 0 | 0 | 0 | 110.2 | D313 A318 V319 I370 E371 | D313-S315 VanDerWaalsContact C-N 3.26Å; D313-S315 PolarHBondContact O-N 3.33Å; D313-S315 WeakPolarHBondContact OD1-CB 3.35Å; D313-S315 PolarHBondContact OD1-N 3.11Å; S315-A318 PolarHBondContact O-N 2.89Å; S315-V319 WeakPolarHBondContact O-CG2 3.4Å; S315-V319 PolarHBondContact O-N 3.34Å; S315-V319 VanDerWaalsContact O-N 3.08Å; S315-I370 WeakPolarHBondContact OG-CD1 3.5Å; S315-E371 PolarHBondContact OG-N 3.46Å; S315-E371 VanDerWaalsContact OG-N 3.09Å; S315-E371 PolarHBondContact OG-O 3.49Å |
| 316 | K | 97 | Very high | 96.6 | Very high | 55 Ų | 55 | 20.3 Ų | 20.3 | 24% | 0.239 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.6 | -34.5 | 176.1 | -69.3 | 172.7 | -169.5 | 101.2 | 0 | 112.6 | I249 D313 L314 A318 V319 A320 | I249-K316 HydrophobicContact CG2-CB 4.17Å; I249-K316 WeakPolarHBondContact O-CD 3.28Å; D313-K316 PolarHBondContact O-N 2.99Å; D313-K316 WeakPolarHBondContact OD1-CB 3.35Å; D313-K316 WeakPolarHBondContact OD1-CG 3.45Å; D313-K316 PolarHBondContact OD1-N 2.88Å; D313-K316 IonicContact OD1-NZ 3.93Å; D313-K316 IonicContact OD2-NZ 3.76Å; D313-K316 PolarHBondContact OD2-NZ 2.85Å; L314-K316 VanDerWaalsContact C-N 3.32Å; L314-K316 PolarHBondContact O-N 3.35Å; K316-A318 VanDerWaalsContact C-N 3.35Å; K316-V319 PolarHBondContact O-N 2.81Å; K316-A320 WeakPolarHBondContact O-CB 3.21Å; K316-A320 PolarHBondContact O-N 2.96Å |
| 317 | Q | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.5 | -45.5 | 172 | -166.2 | -165.1 | 14.7 | 0 | 0 | 111.2 | I249 Y287 P290 D313 L314 V319 A320 Y321 | I249-Q317 HydrophobicContact CG2-CB 4.23Å; Y287-Q317 PolarHBondContact O-NE2 2.7Å; P290-Q317 HydrophobicContact CG-CB 4.45Å; P290-Q317 HydrophobicContact CG-CG 4.01Å; D313-Q317 PolarHBondContact O-N 3.04Å; L314-Q317 PolarHBondContact O-N 2.76Å; Q317-V319 VanDerWaalsContact C-N 3.33Å; Q317-V319 PolarHBondContact O-N 3.14Å; Q317-A320 PolarHBondContact O-N 2.67Å; Q317-Y321 PolarHBondContact O-N 3.16Å |
| 318 | A | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.6 | -41.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L314 S315 K316 Y321 R322 Y337 V341 I381 | L314-A318 PolarHBondContact O-N 3.34Å; S315-A318 PolarHBondContact O-N 2.89Å; K316-A318 VanDerWaalsContact C-N 3.35Å; A318-Y321 PolarHBondContact O-N 3.47Å; A318-R322 WeakPolarHBondContact O-CB 3.43Å; A318-R322 PolarHBondContact O-N 3.31Å; A318-Y337 HydrophobicContact CB-CD1 4.39Å; A318-Y337 HydrophobicContact CB-CE1 3.72Å; A318-Y337 WeakPolarHBondContact O-CE1 3.32Å; A318-V341 HydrophobicContact CB-CG2 4.31Å; A318-I381 HydrophobicContact CB-CD1 3.83Å; A318-I381 HydrophobicContact CB-CG1 4.02Å; A318-I381 HydrophobicContact CB-CG2 4.3Å |
| 319 | V | 96.8 | Very high | 95.2 | Very high | 60 Ų | 60 | 32.8 Ų | 32.8 | 36% | 0.364 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63 | -43.2 | 176 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | S315 K316 Q317 R322 Q323 | S315-V319 WeakPolarHBondContact O-CG2 3.4Å; S315-V319 PolarHBondContact O-N 3.34Å; S315-V319 VanDerWaalsContact O-N 3.08Å; K316-V319 PolarHBondContact O-N 2.81Å; Q317-V319 VanDerWaalsContact C-N 3.33Å; Q317-V319 PolarHBondContact O-N 3.14Å; V319-R322 WeakPolarHBondContact O-CB 3.41Å; V319-R322 PolarHBondContact O-N 3.46Å; V319-Q323 PolarHBondContact O-N 3.43Å |
| 320 | A | 96.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.017 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A283 Q286 K316 Q317 R322 Q323 M324 | A283-A320 HydrophobicContact CB-CB 4.21Å; Q286-A320 HydrophobicContact CB-CB 3.94Å; K316-A320 WeakPolarHBondContact O-CB 3.21Å; K316-A320 PolarHBondContact O-N 2.96Å; Q317-A320 PolarHBondContact O-N 2.67Å; A320-R322 PolarHBondContact O-N 2.84Å; A320-Q323 PolarHBondContact O-N 2.67Å; A320-M324 WeakPolarHBondContact O-CG 3.43Å; A320-M324 PolarHBondContact O-N 2.93Å |
| 321 | Y | 95.5 | Very high | 94.4 | Very high | 14 Ų | 14 | 41.4 Ų | 41.4 | 6% | 0.055 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64 | -40.9 | 176 | -171.8 | -130.5 | 0 | 0 | 0 | 112.4 | Y287 Q317 A318 Q323 M324 S325 R330 P338 D340 L344 | Y287-Y321 AromaticContact CD2-CD2 3.52Å; Y287-Y321 HydrophobicContact CD2-CD2 3.52Å; Y287-Y321 HydrophobicContact CD2-CE2 4.37Å; Y287-Y321 HydrophobicContact CD2-CG 4.01Å; Y287-Y321 AromaticContact CE2-CD2 3.29Å; Y287-Y321 HydrophobicContact CE2-CD2 3.29Å; Y287-Y321 AromaticContact CE2-CE2 3.71Å; Y287-Y321 HydrophobicContact CE2-CE2 3.71Å; Y287-Y321 AromaticContact CE2-CG 3.98Å; Y287-Y321 HydrophobicContact CE2-CG 3.98Å; Q317-Y321 PolarHBondContact O-N 3.16Å; A318-Y321 PolarHBondContact O-N 3.47Å; Y321-Q323 PolarHBondContact O-N 2.72Å; Y321-M324 PolarHBondContact O-N 3.15Å; Y321-S325 VanDerWaalsContact O-CB 3.29Å; Y321-S325 WeakPolarHBondContact O-CB 3.48Å; Y321-S325 PolarHBondContact O-N 3.41Å; Y321-R330 PolarHBondContact OH-NH1 2.73Å; Y321-P338 HydrophobicContact CD1-CG 3.58Å; Y321-P338 HydrophobicContact CE1-CB 4.36Å; Y321-P338 HydrophobicContact CE1-CG 3.36Å; Y321-D340 WeakPolarHBondContact CE1-OD1 3.22Å; Y321-D340 VanDerWaalsContact OH-CG 3.24Å; Y321-D340 PolarHBondContact OH-OD1 2.9Å; Y321-D340 VanDerWaalsContact OH-OD1 3.13Å; Y321-D340 PolarHBondContact OH-OD2 2.79Å; Y321-L344 HydrophobicContact CD1-CD1 4.34Å; Y321-L344 HydrophobicContact CD1-CD2 3.88Å; Y321-L344 HydrophobicContact CG-CD1 4.32Å; Y321-L344 HydrophobicContact CG-CD2 4.02Å |
| 322 | R | 95.9 | Very high | 94.2 | Very high | 73 Ų | 73 | 45.2 Ų | 45.2 | 28% | 0.275 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.1 | -47.4 | 174.3 | -177.1 | 176.5 | 68.1 | 177.4 | -0.5 | 111.5 | A318 V319 A320 S325 L326 E335 A336 Y337 | A318-R322 WeakPolarHBondContact O-CB 3.43Å; A318-R322 PolarHBondContact O-N 3.31Å; V319-R322 WeakPolarHBondContact O-CB 3.41Å; V319-R322 PolarHBondContact O-N 3.46Å; A320-R322 PolarHBondContact O-N 2.84Å; R322-S325 PolarHBondContact O-N 3.34Å; R322-L326 HydrophobicContact CG-CD1 3.99Å; R322-L326 HydrophobicContact CG-CG 4.45Å; R322-L326 VanDerWaalsContact O-CG 3.29Å; R322-L326 WeakPolarHBondContact O-CG 3.48Å; R322-L326 PolarHBondContact O-N 2.85Å; R322-E335 PolarHBondContact NH1-O 3.01Å; R322-A336 WeakPolarHBondContact CD-O 3.45Å; R322-A336 VanDerWaalsContact CG-O 3.27Å; R322-A336 WeakPolarHBondContact CG-O 3.48Å; R322-Y337 HydrophobicContact CB-CD1 3.77Å; R322-Y337 HydrophobicContact CB-CE1 4.01Å; R322-Y337 HydrophobicContact CG-CD1 4.19Å |
| 323 | Q | 94.1 | Very high | 94 | Very high | 101 Ų | 101 | 47 Ų | 47 | 47% | 0.472 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.1 | -51 | 177.4 | 179.1 | -179.7 | -13.2 | 0 | 0 | 111.2 | V319 A320 Y321 S325 L326 L327 | V319-Q323 PolarHBondContact O-N 3.43Å; A320-Q323 PolarHBondContact O-N 2.67Å; Y321-Q323 PolarHBondContact O-N 2.72Å; Q323-S325 VanDerWaalsContact C-N 3.31Å; Q323-S325 PolarHBondContact O-N 3.01Å; Q323-L326 PolarHBondContact O-N 3.39Å; Q323-L327 HydrophobicContact CG-CD1 4Å; Q323-L327 WeakPolarHBondContact O-CG 3.34Å; Q323-L327 PolarHBondContact O-N 2.85Å; Q323-L327 VanDerWaalsContact O-N 3.09Å |
| 324 | M | 91.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.5 | -45.6 | 178 | -69 | 167.8 | 57.7 | 0 | 0 | 111.8 | L107 V117 A283 P284 Y287 A320 Y321 L326 L327 L328 | L107-M324 HydrophobicContact CD1-CE 3.52Å; V117-M324 HydrophobicContact CG1-CE 4.13Å; V117-M324 HydrophobicContact CG2-CE 4.45Å; A283-M324 HydrophobicContact CB-CG 4.37Å; P284-M324 HydrophobicContact CB-CE 4.29Å; P284-M324 HydrophobicContact CB-SD 4.12Å; P284-M324 HydrophobicContact CG-CG 4.35Å; P284-M324 HydrophobicContact CG-SD 4.22Å; Y287-M324 HydrophobicContact CD1-CE 4.14Å; Y287-M324 HydrophobicContact CD1-SD 4.4Å; Y287-M324 HydrophobicContact CD2-SD 4.35Å; Y287-M324 HydrophobicContact CG-CE 4.15Å; Y287-M324 HydrophobicContact CG-SD 3.9Å; A320-M324 WeakPolarHBondContact O-CG 3.43Å; A320-M324 PolarHBondContact O-N 2.93Å; Y321-M324 PolarHBondContact O-N 3.15Å; M324-L326 PolarHBondContact O-N 3.4Å; M324-L327 PolarHBondContact O-N 3.03Å; M324-L328 WeakPolarHBondContact O-CB 3.44Å; M324-L328 WeakPolarHBondContact O-CG 3.39Å; M324-L328 PolarHBondContact O-N 3.43Å |
| 325 | S | 92.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.1 | -40.8 | -178 | -172.5 | 0 | 0 | 0 | 0 | 112.8 | Y321 R322 Q323 L328 R329 R330 P338 | Y321-S325 VanDerWaalsContact O-CB 3.29Å; Y321-S325 WeakPolarHBondContact O-CB 3.48Å; Y321-S325 PolarHBondContact O-N 3.41Å; R322-S325 PolarHBondContact O-N 3.34Å; Q323-S325 VanDerWaalsContact C-N 3.31Å; Q323-S325 PolarHBondContact O-N 3.01Å; S325-L328 CarbonylContact O-C 3.5Å; S325-L328 PolarHBondContact O-N 2.81Å; S325-R329 PolarHBondContact O-N 3.23Å; S325-R330 WeakPolarHBondContact O-CB 3.45Å; S325-R330 PolarHBondContact O-N 3.22Å; S325-R330 VanDerWaalsContact OG-CB 3.31Å; S325-R330 WeakPolarHBondContact OG-CB 3.46Å; S325-P338 WeakPolarHBondContact OG-CB 3.4Å |
| 326 | L | 92.4 | Very high | 93.4 | Very high | 77 Ų | 77 | 58.9 Ų | 58.9 | 40% | 0.403 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 177.8 | -71.6 | 172.1 | 0 | 0 | 0 | 111.8 | R322 Q323 M324 L328 R329 P332 | R322-L326 HydrophobicContact CG-CD1 3.99Å; R322-L326 HydrophobicContact CG-CG 4.45Å; R322-L326 VanDerWaalsContact O-CG 3.29Å; R322-L326 WeakPolarHBondContact O-CG 3.48Å; R322-L326 PolarHBondContact O-N 2.85Å; Q323-L326 PolarHBondContact O-N 3.39Å; M324-L326 PolarHBondContact O-N 3.4Å; L326-L328 VanDerWaalsContact C-N 3.33Å; L326-R329 WeakPolarHBondContact O-CA 3.42Å; L326-R329 PolarHBondContact O-N 3.18Å; L326-P332 HydrophobicContact CD2-CB 3.96Å; L326-P332 HydrophobicContact CD2-CG 4.3Å |
| 327 | L | 90.7 | Very high | 93.3 | Very high | 59 Ų | 59 | 57.1 Ų | 57.1 | 31% | 0.309 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.5 | -34.8 | 177.1 | -68.1 | 172.7 | 0 | 0 | 0 | 111.8 | D79 I81 Q323 M324 R329 | D79-L327 HydrophobicContact CB-CD1 3.85Å; D79-L327 HydrophobicContact CB-CD2 3.76Å; D79-L327 HydrophobicContact CB-CG 4.45Å; D79-L327 WeakPolarHBondContact O-CD1 3.21Å; I81-L327 HydrophobicContact CD1-CB 3.29Å; I81-L327 HydrophobicContact CD1-CD1 4.4Å; I81-L327 HydrophobicContact CD1-CG 4.49Å; I81-L327 HydrophobicContact CG1-CB 4.08Å; I81-L327 HydrophobicContact CG1-CD1 4.48Å; Q323-L327 HydrophobicContact CG-CD1 4Å; Q323-L327 WeakPolarHBondContact O-CG 3.34Å; Q323-L327 PolarHBondContact O-N 2.85Å; Q323-L327 VanDerWaalsContact O-N 3.09Å; M324-L327 PolarHBondContact O-N 3.03Å; L327-R329 PolarHBondContact O-N 2.81Å |
| 328 | L | 87.4 | Confident | 93.1 | Very high | 20 Ų | 20 | 57.3 Ų | 57.3 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 3.6 | 168.9 | -70.6 | 174.1 | 0 | 0 | 0 | 113.7 | I81 L107 V117 M324 S325 L326 R330 | I81-L328 HydrophobicContact CD1-CD2 3.71Å; I81-L328 HydrophobicContact CD1-CG 3.64Å; I81-L328 HydrophobicContact CG2-CD2 3.96Å; L107-L328 HydrophobicContact CB-CD1 4.04Å; L107-L328 HydrophobicContact CD1-CD1 3.89Å; V117-L328 HydrophobicContact CG2-CD1 4.34Å; V117-L328 HydrophobicContact CG2-CD2 4.47Å; M324-L328 WeakPolarHBondContact O-CB 3.44Å; M324-L328 WeakPolarHBondContact O-CG 3.39Å; M324-L328 PolarHBondContact O-N 3.43Å; S325-L328 CarbonylContact O-C 3.5Å; S325-L328 PolarHBondContact O-N 2.81Å; L326-L328 VanDerWaalsContact C-N 3.33Å; L328-R330 HydrophobicContact CB-CG 4.28Å; L328-R330 PolarHBondContact O-N 3.32Å; L328-R330 VanDerWaalsContact O-N 3.15Å |
| 329 | R | 88.1 | Confident | 92.8 | Very high | 194 Ų | 194 | 60.4 Ų | 60.4 | 73% | 0.732 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 28.8 | -179.6 | -56.2 | -174.2 | 176.8 | -174.6 | 0.8 | 114 | S325 L326 L327 | S325-R329 PolarHBondContact O-N 3.23Å; L326-R329 WeakPolarHBondContact O-CA 3.42Å; L326-R329 PolarHBondContact O-N 3.18Å; L327-R329 PolarHBondContact O-N 2.81Å |
| 330 | R | 89.4 | Confident | 92.6 | Very high | 71 Ų | 71 | 60.3 Ų | 60.3 | 27% | 0.268 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 140.1 | 171.1 | -66.2 | -178.5 | 177.6 | -168.7 | -0.9 | 108.9 | N108 Y321 S325 L328 | N108-R330 PolarHBondContact OD1-NE 3.45Å; N108-R330 PolarHBondContact OD1-NH2 3.2Å; Y321-R330 PolarHBondContact OH-NH1 2.73Å; S325-R330 WeakPolarHBondContact O-CB 3.45Å; S325-R330 PolarHBondContact O-N 3.22Å; S325-R330 VanDerWaalsContact OG-CB 3.31Å; S325-R330 WeakPolarHBondContact OG-CB 3.46Å; L328-R330 HydrophobicContact CB-CG 4.28Å; L328-R330 PolarHBondContact O-N 3.32Å; L328-R330 VanDerWaalsContact O-N 3.15Å |
| 331 | P | 92.1 | Very high | 92.6 | Very high | 110 Ų | 110 | 60.2 Ų | 60.2 | 71% | 0.714 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 126.8 | 179.5 | -26.8 | 34.9 | 0 | 0 | 0 | 112.3 | ||
| 332 | P | 95.1 | Very high | 92.7 | Very high | 79 Ų | 79 | 63.7 Ų | 63.7 | 51% | 0.513 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -78.5 | 152.1 | 175.3 | 30.9 | -33.1 | 0 | 0 | 0 | 111.8 | L326 A336 | L326-P332 HydrophobicContact CD2-CB 3.96Å; L326-P332 HydrophobicContact CD2-CG 4.3Å; P332-A336 HydrophobicContact CB-CB 4.39Å |
| 333 | G | 93.1 | Very high | 92.6 | Very high | 43 Ų | 43 | 66.9 Ų | 66.9 | 44% | 0.443 | 35% | 0.347 | S | S | . | . | trans | -111 | -142.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A336 Y337 | G333-A336 PolarHBondContact O-N 2.96Å; G333-Y337 VanDerWaalsContact CA-O 3.32Å; G333-Y337 WeakPolarHBondContact CA-O 3.42Å; G333-Y337 PolarHBondContact N-O 2.82Å | ||
| 334 | R | 92.3 | Very high | 92.7 | Very high | 144 Ų | 144 | 62.2 Ų | 62.2 | 54% | 0.543 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -59.6 | 135.2 | 179.9 | -177.3 | 175.5 | 172.4 | 178.9 | -2.7 | 111.1 | A336 Y337 S378 Y380 | R334-A336 PolarHBondContact O-N 3.49Å; R334-A336 VanDerWaalsContact O-N 3.09Å; R334-Y337 PolarHBondContact O-N 2.97Å; R334-S378 PolarHBondContact NH2-O 3.42Å; R334-Y380 HydrophobicContact CB-CD1 4.29Å; R334-Y380 HydrophobicContact CB-CE1 4.39Å; R334-Y380 HydrophobicContact CB-CG 4.48Å; R334-Y380 HydrophobicContact CG-CG 4.33Å |
| 335 | E | 90.6 | Very high | 93 | Very high | 87 Ų | 87 | 62 Ų | 62 | 41% | 0.407 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | 53.8 | 28.4 | -178 | -65.3 | 164.8 | -142.1 | 0 | 0 | 113.4 | R322 Y337 Y380 | R322-E335 PolarHBondContact NH1-O 3.01Å; E335-Y337 HydrophobicContact CB-CD2 3.78Å; E335-Y337 HydrophobicContact CB-CE2 3.94Å; E335-Y337 PolarHBondContact O-N 3.42Å; E335-Y380 VanDerWaalsContact OE1-CB 3.31Å; E335-Y380 WeakPolarHBondContact OE1-CB 3.28Å; E335-Y380 PolarHBondContact OE1-N 3.29Å |
| 336 | A | 94.7 | Very high | 93.2 | Very high | 39 Ų | 39 | 62.9 Ų | 62.9 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | 62.2 | 7.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | R322 P332 G333 R334 | R322-A336 WeakPolarHBondContact CD-O 3.45Å; R322-A336 VanDerWaalsContact CG-O 3.27Å; R322-A336 WeakPolarHBondContact CG-O 3.48Å; P332-A336 HydrophobicContact CB-CB 4.39Å; G333-A336 PolarHBondContact O-N 2.96Å; R334-A336 PolarHBondContact O-N 3.49Å; R334-A336 VanDerWaalsContact O-N 3.09Å |
| 337 | Y | 95.5 | Very high | 93.4 | Very high | 19 Ų | 19 | 62 Ų | 62 | 8% | 0.075 | 32% | 0.322 | C | S | . | . | trans | -70.8 | 147.6 | 172.6 | -70.4 | -78.8 | 0 | 0 | 0 | 111.1 | A318 R322 G333 R334 E335 V341 Y380 I381 | A318-Y337 HydrophobicContact CB-CD1 4.39Å; A318-Y337 HydrophobicContact CB-CE1 3.72Å; A318-Y337 WeakPolarHBondContact O-CE1 3.32Å; R322-Y337 HydrophobicContact CB-CD1 3.77Å; R322-Y337 HydrophobicContact CB-CE1 4.01Å; R322-Y337 HydrophobicContact CG-CD1 4.19Å; G333-Y337 VanDerWaalsContact CA-O 3.32Å; G333-Y337 WeakPolarHBondContact CA-O 3.42Å; G333-Y337 PolarHBondContact N-O 2.82Å; R334-Y337 PolarHBondContact O-N 2.97Å; E335-Y337 HydrophobicContact CB-CD2 3.78Å; E335-Y337 HydrophobicContact CB-CE2 3.94Å; E335-Y337 PolarHBondContact O-N 3.42Å; Y337-V341 HydrophobicContact CD1-CG2 4.07Å; Y337-Y380 AromaticContact CD2-CD1 3.82Å; Y337-Y380 HydrophobicContact CD2-CD1 3.82Å; Y337-Y380 HydrophobicContact CD2-CE1 4.47Å; Y337-Y380 HydrophobicContact CG-CD1 4.27Å; Y337-I381 HydrophobicContact CD1-CD1 4.04Å; Y337-I381 HydrophobicContact CD2-CD1 4.21Å; Y337-I381 HydrophobicContact CD2-CG1 4.37Å; Y337-I381 HydrophobicContact CE1-CD1 3.94Å; Y337-I381 HydrophobicContact CE1-CG1 4.01Å; Y337-I381 HydrophobicContact CE2-CD1 4.08Å; Y337-I381 HydrophobicContact CE2-CG1 3.76Å; Y337-I381 HydrophobicContact CG-CD1 4.19Å | ||
| 338 | P | 93.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -66 | 155.9 | 174 | 28.9 | -34.9 | 0 | 0 | 0 | 112.1 | Y321 S325 D340 V341 | Y321-P338 HydrophobicContact CD1-CG 3.58Å; Y321-P338 HydrophobicContact CE1-CB 4.36Å; Y321-P338 HydrophobicContact CE1-CG 3.36Å; S325-P338 WeakPolarHBondContact OG-CB 3.4Å; P338-D340 WeakPolarHBondContact CB-OD1 3.48Å; P338-D340 PolarHBondContact O-N 2.71Å; P338-D340 VanDerWaalsContact O-N 3.12Å; P338-V341 HydrophobicContact CG-CB 4.43Å; P338-V341 WeakPolarHBondContact O-CG1 3.49Å; P338-V341 PolarHBondContact O-N 3.04Å; P338-V341 VanDerWaalsContact O-N 3.15Å |
| 339 | G | 91.1 | Very high | 94.2 | Very high | 65 Ų | 65 | 58.3 Ų | 58.3 | 67% | 0.67 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 340 | D | 93.6 | Very high | 94.7 | Very high | 59 Ų | 59 | 52 Ų | 52 | 32% | 0.316 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 12 | -178.9 | 68.1 | -20.6 | 0 | 0 | 0 | 113.7 | Y321 P338 F342 Y343 L344 | Y321-D340 WeakPolarHBondContact CE1-OD1 3.22Å; Y321-D340 VanDerWaalsContact OH-CG 3.24Å; Y321-D340 PolarHBondContact OH-OD1 2.9Å; Y321-D340 VanDerWaalsContact OH-OD1 3.13Å; Y321-D340 PolarHBondContact OH-OD2 2.79Å; P338-D340 WeakPolarHBondContact CB-OD1 3.48Å; P338-D340 PolarHBondContact O-N 2.71Å; P338-D340 VanDerWaalsContact O-N 3.12Å; D340-F342 PolarHBondContact O-N 2.84Å; D340-Y343 WeakPolarHBondContact O-CA 3.38Å; D340-Y343 VanDerWaalsContact O-CB 3.31Å; D340-Y343 WeakPolarHBondContact O-CB 3.38Å; D340-Y343 PolarHBondContact O-N 3.24Å; D340-L344 PolarHBondContact O-N 2.93Å |
| 341 | V | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -28.3 | 176.2 | 71.8 | 0 | 0 | 0 | 0 | 112.8 | A318 Y337 P338 L344 Y380 I381 | A318-V341 HydrophobicContact CB-CG2 4.31Å; Y337-V341 HydrophobicContact CD1-CG2 4.07Å; P338-V341 HydrophobicContact CG-CB 4.43Å; P338-V341 WeakPolarHBondContact O-CG1 3.49Å; P338-V341 PolarHBondContact O-N 3.04Å; P338-V341 VanDerWaalsContact O-N 3.15Å; V341-L344 WeakPolarHBondContact O-CB 3.38Å; V341-L344 PolarHBondContact O-N 2.95Å; V341-Y380 HydrophobicContact CG1-CD1 4.33Å; V341-Y380 HydrophobicContact CG1-CE1 3.45Å; V341-Y380 VanDerWaalsContact CG1-CE1 3.45Å; V341-I381 HydrophobicContact CG1-CD1 4.27Å; V341-I381 HydrophobicContact CG2-CD1 3.71Å |
| 342 | F | 96.6 | Very high | 95.3 | Very high | 86 Ų | 86 | 43.6 Ų | 43.6 | 38% | 0.377 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.2 | -41.3 | 170.8 | -179.4 | -89 | 0 | 0 | 0 | 111.3 | D340 L344 H345 S346 N384 S387 I388 | D340-F342 PolarHBondContact O-N 2.84Å; F342-L344 VanDerWaalsContact C-N 3.29Å; F342-L344 PolarHBondContact O-N 2.81Å; F342-H345 PolarHBondContact O-N 2.94Å; F342-S346 WeakPolarHBondContact O-CB 3.4Å; F342-S346 PolarHBondContact O-N 2.99Å; F342-S346 PolarHBondContact O-OG 3.45Å; F342-N384 HydrophobicContact CD2-CB 3.97Å; F342-S387 WeakPolarHBondContact CE2-OG 3.32Å; F342-I388 HydrophobicContact CD2-CD1 4.03Å; F342-I388 HydrophobicContact CD2-CG1 4.43Å; F342-I388 HydrophobicContact CE2-CD1 3.74Å; F342-I388 HydrophobicContact CE2-CG1 3.64Å; F342-I388 HydrophobicContact CZ-CD1 4.09Å; F342-I388 HydrophobicContact CZ-CG1 3.73Å |
| 343 | Y | 95.4 | Very high | 95.4 | Very high | 141 Ų | 141 | 40 Ų | 40 | 55% | 0.553 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.8 | -36.1 | 177.9 | -176 | -118.8 | 0 | 0 | 0 | 111.7 | D340 H345 S346 R347 | D340-Y343 WeakPolarHBondContact O-CA 3.38Å; D340-Y343 VanDerWaalsContact O-CB 3.31Å; D340-Y343 WeakPolarHBondContact O-CB 3.38Å; D340-Y343 PolarHBondContact O-N 3.24Å; Y343-H345 PolarHBondContact O-N 2.67Å; Y343-S346 VanDerWaalsContact CA-OG 3.26Å; Y343-S346 WeakPolarHBondContact CA-OG 3.38Å; Y343-S346 PolarHBondContact O-OG 3.2Å; Y343-R347 HydrophobicContact CD2-CB 4.45Å; Y343-R347 HydrophobicContact CE2-CB 4.08Å; Y343-R347 VanDerWaalsContact O-CB 3.32Å; Y343-R347 WeakPolarHBondContact O-CB 3.26Å; Y343-R347 WeakPolarHBondContact O-CG 3.4Å; Y343-R347 PolarHBondContact O-N 3.49Å |
| 344 | L | 95.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -52.1 | -56.5 | 174 | -177.2 | 79.3 | 0 | 0 | 0 | 112.3 | Y287 Y291 Y321 D340 V341 F342 R347 L348 | Y287-L344 HydrophobicContact CD2-CD1 3.95Å; Y287-L344 HydrophobicContact CE2-CD1 3.28Å; Y291-L344 HydrophobicContact CE2-CD1 3.96Å; Y291-L344 WeakPolarHBondContact OH-CD1 3.23Å; Y291-L344 PolarHBondContact OH-O 2.84Å; Y321-L344 HydrophobicContact CD1-CD1 4.34Å; Y321-L344 HydrophobicContact CD1-CD2 3.88Å; Y321-L344 HydrophobicContact CG-CD1 4.32Å; Y321-L344 HydrophobicContact CG-CD2 4.02Å; D340-L344 PolarHBondContact O-N 2.93Å; V341-L344 WeakPolarHBondContact O-CB 3.38Å; V341-L344 PolarHBondContact O-N 2.95Å; F342-L344 VanDerWaalsContact C-N 3.29Å; F342-L344 PolarHBondContact O-N 2.81Å; L344-R347 WeakPolarHBondContact O-CG 3.48Å; L344-L348 WeakPolarHBondContact O-CB 3.44Å; L344-L348 PolarHBondContact O-N 2.66Å |
| 345 | H | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -77.4 | -35.3 | -176.3 | -64 | 151.8 | 0 | 0 | 0 | 112.4 | F342 Y343 L348 L349 I388 | F342-H345 PolarHBondContact O-N 2.94Å; Y343-H345 PolarHBondContact O-N 2.67Å; H345-L348 PolarHBondContact O-N 3.4Å; H345-L349 WeakPolarHBondContact O-CB 3.31Å; H345-L349 WeakPolarHBondContact O-CG 3.31Å; H345-L349 PolarHBondContact O-N 3.15Å; H345-I388 HydrophobicContact CB-CD1 3.89Å |
| 346 | S | 96.8 | Very high | 96.2 | Very high | 21 Ų | 21 | 29.5 Ų | 29.5 | 15% | 0.147 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.6 | -47.2 | 178.5 | 54 | 0 | 0 | 0 | 0 | 111.6 | F342 Y343 L348 L349 E350 | F342-S346 WeakPolarHBondContact O-CB 3.4Å; F342-S346 PolarHBondContact O-N 2.99Å; F342-S346 PolarHBondContact O-OG 3.45Å; Y343-S346 VanDerWaalsContact CA-OG 3.26Å; Y343-S346 WeakPolarHBondContact CA-OG 3.38Å; Y343-S346 PolarHBondContact O-OG 3.2Å; S346-L348 PolarHBondContact O-N 3.25Å; S346-L349 PolarHBondContact O-N 3.38Å; S346-E350 WeakPolarHBondContact O-CB 3.27Å; S346-E350 WeakPolarHBondContact O-CG 3.49Å; S346-E350 PolarHBondContact O-N 3.37Å |
| 347 | R | 96 | Very high | 96.2 | Very high | 60 Ų | 60 | 34 Ų | 34 | 23% | 0.226 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -27.3 | 177 | 82.8 | -174.2 | -179.2 | 159.2 | 4.5 | 113 | E93 Y287 Y291 Y343 L344 R351 | E93-R347 IonicContact OE1-NH1 3.69Å; E93-R347 PolarHBondContact OE1-NH1 3.25Å; Y287-R347 PolarHBondContact OH-NH2 3.47Å; Y291-R347 HydrophobicContact CE1-CG 4.01Å; Y291-R347 PolarHBondContact OH-NE 2.97Å; Y291-R347 PolarHBondContact OH-NH2 2.65Å; Y343-R347 HydrophobicContact CD2-CB 4.45Å; Y343-R347 HydrophobicContact CE2-CB 4.08Å; Y343-R347 VanDerWaalsContact O-CB 3.32Å; Y343-R347 WeakPolarHBondContact O-CB 3.26Å; Y343-R347 WeakPolarHBondContact O-CG 3.4Å; Y343-R347 PolarHBondContact O-N 3.49Å; L344-R347 WeakPolarHBondContact O-CG 3.48Å; R347-R351 WeakPolarHBondContact O-CD 3.3Å; R347-R351 WeakPolarHBondContact O-CG 3.49Å |
| 348 | L | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -76.1 | -56.1 | 175.1 | 175.6 | 66.8 | 0 | 0 | 0 | 111.2 | P290 Y291 C294 Y311 L314 L344 H345 S346 R351 | P290-L348 HydrophobicContact CB-CD1 4.18Å; P290-L348 HydrophobicContact CB-CD2 3.6Å; Y291-L348 HydrophobicContact CD1-CB 4.47Å; Y291-L348 HydrophobicContact CD1-CD1 3.77Å; Y291-L348 HydrophobicContact CE1-CB 3.76Å; Y291-L348 HydrophobicContact CE1-CD1 3.92Å; Y291-L348 HydrophobicContact CE1-CG 4.39Å; Y291-L348 HydrophobicContact CG-CD1 4.38Å; C294-L348 HydrophobicContact CB-CD1 3.86Å; Y311-L348 HydrophobicContact CE1-CD1 4.24Å; Y311-L348 HydrophobicContact CE1-CD2 4.27Å; L314-L348 HydrophobicContact CD2-CD2 3.97Å; L344-L348 WeakPolarHBondContact O-CB 3.44Å; L344-L348 PolarHBondContact O-N 2.66Å; H345-L348 PolarHBondContact O-N 3.4Å; S346-L348 PolarHBondContact O-N 3.25Å; L348-R351 WeakPolarHBondContact O-CB 3.36Å; L348-R351 PolarHBondContact O-N 3.38Å |
| 349 | L | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73 | -31.1 | -171.2 | -67.1 | 174.4 | 0 | 0 | 0 | 112.4 | R207 Y311 L314 H345 S346 R351 A352 A366 P368 V385 I388 T389 | R207-L349 WeakPolarHBondContact CD-O 3.46Å; Y311-L349 HydrophobicContact CD2-CD2 4.16Å; Y311-L349 HydrophobicContact CE2-CD2 3.79Å; L314-L349 HydrophobicContact CD1-CD1 4.32Å; L314-L349 HydrophobicContact CD1-CD2 4.31Å; H345-L349 WeakPolarHBondContact O-CB 3.31Å; H345-L349 WeakPolarHBondContact O-CG 3.31Å; H345-L349 PolarHBondContact O-N 3.15Å; S346-L349 PolarHBondContact O-N 3.38Å; L349-R351 PolarHBondContact O-N 3.25Å; L349-R351 VanDerWaalsContact O-N 3.13Å; L349-A352 WeakPolarHBondContact O-CB 3.31Å; L349-A352 PolarHBondContact O-N 3.39Å; L349-A366 HydrophobicContact CD2-CB 4.44Å; L349-P368 HydrophobicContact CD1-CG 4.32Å; L349-P368 HydrophobicContact CD2-CB 4.07Å; L349-P368 HydrophobicContact CD2-CG 3.98Å; L349-V385 HydrophobicContact CD1-CG1 4.13Å; L349-I388 HydrophobicContact CB-CG2 3.8Å; L349-I388 HydrophobicContact CD1-CB 4.43Å; L349-I388 HydrophobicContact CD1-CG2 3.79Å; L349-I388 HydrophobicContact CG-CG2 4.4Å; L349-T389 HydrophobicContact CD1-CG2 4.09Å |
| 350 | E | 97.4 | Very high | 96.4 | Very high | 63 Ų | 63 | 42.8 Ų | 42.8 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.2 | 174.4 | -80 | -66.8 | 152.3 | 0 | 0 | 114.1 | A176 R182 R207 S346 A352 | A176-E350 HydrophobicContact CB-CB 3.92Å; A176-E350 WeakPolarHBondContact CB-O 3.17Å; R182-E350 IonicContact CZ-OE2 3.08Å; R182-E350 IonicContact NH1-OE2 3.41Å; R182-E350 PolarHBondContact NH1-OE2 3.34Å; R182-E350 PolarHBondContact NH2-O 2.74Å; R182-E350 IonicContact NH2-OE2 3.97Å; R182-E350 PolarHBondContact NH2-OE2 3.39Å; R207-E350 IonicContact CZ-OE1 3.9Å; R207-E350 IonicContact NH1-OE1 2.98Å; R207-E350 PolarHBondContact NH1-OE1 3.11Å; R207-E350 IonicContact NH1-OE2 2.7Å; R207-E350 PolarHBondContact NH1-OE2 2.88Å; R207-E350 IonicContact NH2-OE1 3.94Å; S346-E350 WeakPolarHBondContact O-CB 3.27Å; S346-E350 WeakPolarHBondContact O-CG 3.49Å; S346-E350 PolarHBondContact O-N 3.37Å; E350-A352 VanDerWaalsContact C-N 3.29Å |
| 351 | R | 97.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -21 | 173.2 | -67.5 | 169 | 67.2 | -176.6 | 3 | 112.4 | V172 A176 C294 S295 E298 R301 R347 L348 L349 A353 | V172-R351 PolarHBondContact O-NH1 2.71Å; V172-R351 PolarHBondContact O-NH2 3.42Å; A176-R351 HydrophobicContact CB-CG 3.95Å; C294-R351 VanDerWaalsContact SG-CZ 3.58Å; C294-R351 PolarHBondContact SG-NE 3.09Å; S295-R351 PolarHBondContact OG-NH2 3.09Å; E298-R351 VanDerWaalsContact CD-NE 3.34Å; E298-R351 WeakPolarHBondContact OE1-CB 3.13Å; E298-R351 IonicContact OE1-CZ 2.69Å; E298-R351 IonicContact OE1-NE 3.6Å; E298-R351 PolarHBondContact OE1-NE 3.24Å; E298-R351 IonicContact OE1-NH2 3.66Å; E298-R351 IonicContact OE2-CZ 3.57Å; E298-R351 IonicContact OE2-NE 3.65Å; E298-R351 IonicContact OE2-NH2 2.74Å; E298-R351 PolarHBondContact OE2-NH2 3.49Å; R301-R351 PolarHBondContact NH1-O 2.83Å; R347-R351 WeakPolarHBondContact O-CD 3.3Å; R347-R351 WeakPolarHBondContact O-CG 3.49Å; L348-R351 WeakPolarHBondContact O-CB 3.36Å; L348-R351 PolarHBondContact O-N 3.38Å; L349-R351 PolarHBondContact O-N 3.25Å; L349-R351 VanDerWaalsContact O-N 3.13Å; R351-A353 PolarHBondContact O-N 2.96Å |
| 352 | A | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | trans | -77.9 | 114.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | R207 L349 E350 L364 A366 | R207-A352 HydrophobicContact CG-CB 3.87Å; L349-A352 WeakPolarHBondContact O-CB 3.31Å; L349-A352 PolarHBondContact O-N 3.39Å; E350-A352 VanDerWaalsContact C-N 3.29Å; A352-L364 CarbonylContact C-O 3.54Å; A352-L364 VanDerWaalsContact CA-O 3.3Å; A352-L364 WeakPolarHBondContact CA-O 3.33Å; A352-L364 HydrophobicContact CB-CD2 4.48Å; A352-L364 HydrophobicContact CB-CG 4.23Å; A352-L364 VanDerWaalsContact CB-O 3.26Å; A352-L364 WeakPolarHBondContact CB-O 3.43Å; A352-A366 HydrophobicContact CB-CB 3.61Å | ||
| 353 | A | 97.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | trans | -155.8 | 162.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P177 R182 R351 S363 L364 | P177-A353 HydrophobicContact CG-CB 3.98Å; R182-A353 HydrophobicContact CG-CB 4.04Å; R351-A353 PolarHBondContact O-N 2.96Å; A353-S363 WeakPolarHBondContact O-CA 3.38Å; A353-L364 PolarHBondContact N-O 2.82Å; A353-L364 PolarHBondContact O-N 2.73Å | ||
| 354 | K | 97.9 | Very high | 96.8 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 7% | 0.065 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -93.5 | 120.9 | 164.9 | -175.9 | 68.5 | 159.3 | 89.8 | 0 | 109.2 | R182 I183 V185 E187 G361 | R182-K354 VanDerWaalsContact CA-O 3.32Å; R182-K354 WeakPolarHBondContact CA-O 3.48Å; I183-K354 HydrophobicContact CG2-CB 4.2Å; I183-K354 HydrophobicContact CG2-CG 3.49Å; I183-K354 VanDerWaalsContact CG2-CG 3.49Å; I183-K354 PolarHBondContact N-O 3.47Å; V185-K354 HydrophobicContact CG2-CB 4.34Å; E187-K354 VanDerWaalsContact CD-CE 3.41Å; E187-K354 WeakPolarHBondContact OE1-CE 3.2Å; E187-K354 IonicContact OE1-NZ 2.84Å; E187-K354 PolarHBondContact OE1-NZ 2.88Å; E187-K354 VanDerWaalsContact OE1-NZ 3.08Å; E187-K354 WeakPolarHBondContact OE2-CE 3.39Å; E187-K354 IonicContact OE2-NZ 3.37Å; K354-G361 PolarHBondContact NZ-O 3.26Å |
| 355 | M | 97.8 | Very high | 96.9 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -81 | 151 | 176.9 | -54.7 | -55.8 | -69.5 | 0 | 0 | 110.3 | P177 P181 I183 R301 F359 G361 G362 | P177-M355 HydrophobicContact CB-CE 4.12Å; P177-M355 HydrophobicContact CB-SD 4.06Å; P177-M355 HydrophobicContact CG-SD 4.17Å; P181-M355 HydrophobicContact CB-CE 3.55Å; P181-M355 WeakPolarHBondContact O-CA 3.36Å; I183-M355 WeakPolarHBondContact CG2-O 3.23Å; R301-M355 HydrophobicContact CG-CG 3.78Å; M355-F359 HydrophobicContact CB-CB 4.29Å; M355-F359 HydrophobicContact CE-CB 3.8Å; M355-F359 HydrophobicContact CE-CG 4.23Å; M355-G361 WeakPolarHBondContact O-CA 3.27Å; M355-G362 WeakPolarHBondContact CB-O 3.48Å; M355-G362 PolarHBondContact N-O 2.91Å |
| 356 | N | 96.5 | Very high | 97 | Very high | 28 Ų | 28 | 29.4 Ų | 29.4 | 15% | 0.15 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -76.7 | 170.4 | 171.9 | 75.7 | 35.4 | 0 | 0 | 0 | 111.2 | I180 P181 I183 S358 F359 G360 G361 | I180-N356 PolarHBondContact O-ND2 3.4Å; P181-N356 PolarHBondContact O-N 2.9Å; P181-N356 PolarHBondContact O-ND2 2.9Å; I183-N356 HydrophobicContact CB-CB 4.16Å; N356-S358 VanDerWaalsContact C-N 3.28Å; N356-S358 PolarHBondContact O-N 3.05Å; N356-S358 WeakPolarHBondContact OD1-CA 3.44Å; N356-S358 WeakPolarHBondContact OD1-CB 3.32Å; N356-S358 PolarHBondContact OD1-N 3.46Å; N356-F359 CarbonylContact O-C 3.57Å; N356-F359 PolarHBondContact O-N 3.25Å; N356-F359 VanDerWaalsContact O-N 3.09Å; N356-F359 VanDerWaalsContact OD1-CD2 3.32Å; N356-F359 WeakPolarHBondContact OD1-CD2 3.4Å; N356-F359 PolarHBondContact OD1-N 3.16Å; N356-F359 VanDerWaalsContact OD1-N 3.1Å; N356-G360 PolarHBondContact O-N 3.21Å; N356-G361 WeakPolarHBondContact O-CA 3.34Å; N356-G361 PolarHBondContact O-N 3.08Å |
| 357 | D | 94.9 | Very high | 97.1 | Very high | 135 Ų | 135 | 28.4 Ų | 28.4 | 72% | 0.722 | 16% | 0.162 | S | C | * | . | G | 310 helix | trans | -64.4 | -30.5 | -174.9 | -59.8 | -30.4 | 0 | 0 | 0 | 113.3 | F359 G360 | D357-F359 PolarHBondContact O-N 3.03Å; D357-G360 PolarHBondContact O-N 2.79Å |
| 358 | S | 95.5 | Very high | 97.2 | Very high | 115 Ų | 115 | 25.6 Ų | 25.6 | 80% | 0.804 | 15% | 0.151 | S | C | * | . | G | 310 helix | trans | -69 | -23 | 176.4 | -49.3 | 0 | 0 | 0 | 0 | 113 | N356 | N356-S358 VanDerWaalsContact C-N 3.28Å; N356-S358 PolarHBondContact O-N 3.05Å; N356-S358 WeakPolarHBondContact OD1-CA 3.44Å; N356-S358 WeakPolarHBondContact OD1-CB 3.32Å; N356-S358 PolarHBondContact OD1-N 3.46Å |
| 359 | F | 94.8 | Very high | 97.2 | Very high | 110 Ų | 110 | 25.6 Ų | 25.6 | 48% | 0.482 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -105.9 | 27.1 | 173.7 | -68.6 | -89.3 | 0 | 0 | 0 | 111.8 | P181 M355 N356 D357 G361 | P181-F359 HydrophobicContact CB-CD1 4.38Å; P181-F359 HydrophobicContact CB-CD2 3.73Å; P181-F359 HydrophobicContact CB-CE1 4.45Å; P181-F359 HydrophobicContact CB-CE2 3.84Å; P181-F359 HydrophobicContact CB-CG 4.04Å; P181-F359 HydrophobicContact CB-CZ 4.2Å; P181-F359 HydrophobicContact CG-CD2 4.43Å; P181-F359 HydrophobicContact CG-CE1 4.46Å; P181-F359 HydrophobicContact CG-CE2 4.03Å; P181-F359 HydrophobicContact CG-CZ 4.05Å; M355-F359 HydrophobicContact CB-CB 4.29Å; M355-F359 HydrophobicContact CE-CB 3.8Å; M355-F359 HydrophobicContact CE-CG 4.23Å; N356-F359 CarbonylContact O-C 3.57Å; N356-F359 PolarHBondContact O-N 3.25Å; N356-F359 VanDerWaalsContact O-N 3.09Å; N356-F359 VanDerWaalsContact OD1-CD2 3.32Å; N356-F359 WeakPolarHBondContact OD1-CD2 3.4Å; N356-F359 PolarHBondContact OD1-N 3.16Å; N356-F359 VanDerWaalsContact OD1-N 3.1Å; D357-F359 PolarHBondContact O-N 3.03Å; F359-G361 PolarHBondContact O-N 3.25Å |
| 360 | G | 93.8 | Very high | 97.2 | Very high | 45 Ų | 45 | 25.6 Ų | 25.6 | 46% | 0.464 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | -7.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | G304 N356 D357 G362 | G304-G360 WeakPolarHBondContact CA-O 3.26Å; N356-G360 PolarHBondContact O-N 3.21Å; D357-G360 PolarHBondContact O-N 2.79Å; G360-G362 PolarHBondContact O-N 2.77Å; G360-G362 VanDerWaalsContact O-N 3.16Å |
| 361 | G | 95.1 | Very high | 97.1 | Very high | 8 Ų | 8 | 25 Ų | 25 | 8% | 0.082 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 71.4 | 5.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116 | K354 M355 N356 F359 | K354-G361 PolarHBondContact NZ-O 3.26Å; M355-G361 WeakPolarHBondContact O-CA 3.27Å; N356-G361 WeakPolarHBondContact O-CA 3.34Å; N356-G361 PolarHBondContact O-N 3.08Å; F359-G361 PolarHBondContact O-N 3.25Å |
| 362 | G | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -70.8 | 171.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R301 K305 M355 G360 | R301-G362 VanDerWaalsContact O-CA 3.31Å; R301-G362 WeakPolarHBondContact O-CA 2.87Å; K305-G362 CarbonylContact O-C 3.58Å; K305-G362 WeakPolarHBondContact O-CA 3.34Å; M355-G362 WeakPolarHBondContact CB-O 3.48Å; M355-G362 PolarHBondContact N-O 2.91Å; G360-G362 PolarHBondContact O-N 2.77Å; G360-G362 VanDerWaalsContact O-N 3.16Å | ||
| 363 | S | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 145.8 | -179 | 71.4 | 0 | 0 | 0 | 0 | 112.9 | K305 H306 A307 A353 | K305-S363 PolarHBondContact O-N 3.48Å; H306-S363 CarbonylContact C-O 3.5Å; H306-S363 WeakPolarHBondContact CA-O 3.32Å; H306-S363 WeakPolarHBondContact CB-OG 3.49Å; H306-S363 PolarHBondContact ND1-OG 2.96Å; A307-S363 PolarHBondContact N-O 2.92Å; A353-S363 WeakPolarHBondContact O-CA 3.38Å |
| 364 | L | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 112.2 | 164.3 | 179.8 | 63.1 | 0 | 0 | 0 | 109 | G205 E298 R301 A307 I309 A352 A353 | G205-L364 WeakPolarHBondContact CA-O 3.16Å; E298-L364 HydrophobicContact CG-CD2 4.15Å; R301-L364 HydrophobicContact CB-CB 4.2Å; R301-L364 HydrophobicContact CG-CB 4.37Å; A307-L364 HydrophobicContact CB-CD1 3.8Å; I309-L364 HydrophobicContact CB-CD1 4.04Å; I309-L364 HydrophobicContact CG2-CD1 3.74Å; I309-L364 HydrophobicContact CG2-CD2 4.4Å; I309-L364 HydrophobicContact CG2-CG 4.06Å; A352-L364 CarbonylContact C-O 3.54Å; A352-L364 VanDerWaalsContact CA-O 3.3Å; A352-L364 WeakPolarHBondContact CA-O 3.33Å; A352-L364 HydrophobicContact CB-CD2 4.48Å; A352-L364 HydrophobicContact CB-CG 4.23Å; A352-L364 VanDerWaalsContact CB-O 3.26Å; A352-L364 WeakPolarHBondContact CB-O 3.43Å; A353-L364 PolarHBondContact N-O 2.82Å; A353-L364 PolarHBondContact O-N 2.73Å |
| 365 | T | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 134.2 | 176.4 | -45.9 | 0 | 0 | 0 | 0 | 108.7 | M189 I202 G203 R204 G205 Q206 A307 L308 I309 | M189-T365 HydrophobicContact CE-CG2 4.25Å; M189-T365 HydrophobicContact CG-CG2 4.36Å; I202-T365 HydrophobicContact CG2-CG2 3.99Å; G203-T365 WeakPolarHBondContact O-CG2 3.41Å; R204-T365 WeakPolarHBondContact CA-OG1 3.49Å; G205-T365 PolarHBondContact N-OG1 2.98Å; Q206-T365 WeakPolarHBondContact O-CA 3.23Å; Q206-T365 VanDerWaalsContact O-CG2 3.31Å; Q206-T365 WeakPolarHBondContact O-CG2 3.47Å; A307-T365 PolarHBondContact O-N 3.08Å; L308-T365 CarbonylContact C-O 3.54Å; L308-T365 WeakPolarHBondContact CA-O 3.07Å; L308-T365 HydrophobicContact CD1-CG2 4.21Å; I309-T365 WeakPolarHBondContact CG2-O 3.48Å; I309-T365 PolarHBondContact N-O 3.27Å |
| 366 | A | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 130.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q206 R207 E208 I309 Y311 L349 A352 P368 | Q206-A366 PolarHBondContact O-N 3.38Å; R207-A366 CarbonylContact C-O 3.59Å; R207-A366 WeakPolarHBondContact CA-O 3.46Å; R207-A366 HydrophobicContact CG-CB 4.12Å; E208-A366 PolarHBondContact N-O 3.18Å; I309-A366 HydrophobicContact CG2-CB 3.88Å; I309-A366 CarbonylContact O-C 3.5Å; I309-A366 WeakPolarHBondContact O-CA 3.43Å; Y311-A366 HydrophobicContact CE2-CB 4.12Å; L349-A366 HydrophobicContact CD2-CB 4.44Å; A352-A366 HydrophobicContact CB-CB 3.61Å; A366-P368 VanDerWaalsContact C-CD 3.48Å; A366-P368 WeakPolarHBondContact O-CD 3.41Å |
| 367 | L | 98.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 80.3 | 171.3 | -55.5 | -178.9 | 0 | 0 | 0 | 109.7 | M189 I202 E208 I210 T225 L308 I309 I310 Y311 | M189-L367 HydrophobicContact CE-CD1 4.34Å; M189-L367 HydrophobicContact CE-CD2 4.46Å; I202-L367 HydrophobicContact CD1-CD2 3.76Å; I202-L367 HydrophobicContact CG2-CD2 4.37Å; E208-L367 HydrophobicContact CB-CD2 3.81Å; E208-L367 WeakPolarHBondContact O-CA 3.28Å; I210-L367 HydrophobicContact CD1-CB 4.28Å; T225-L367 HydrophobicContact CG2-CD1 4.18Å; L308-L367 HydrophobicContact CD1-CD1 3.82Å; L308-L367 HydrophobicContact CD1-CG 3.79Å; I309-L367 PolarHBondContact O-N 3.41Å; I310-L367 WeakPolarHBondContact CA-O 3.37Å; I310-L367 HydrophobicContact CD1-CD1 4.33Å; I310-L367 HydrophobicContact CG1-CB 4.27Å; I310-L367 HydrophobicContact CG1-CD1 4.4Å; Y311-L367 PolarHBondContact N-O 2.86Å |
| 368 | P | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 136.8 | 171.9 | 26.4 | -31.2 | 0 | 0 | 0 | 110.5 | E208 L209 I210 Y311 L314 L349 A366 T389 | E208-P368 WeakPolarHBondContact O-CD 3.44Å; L209-P368 HydrophobicContact CB-CG 4.5Å; L209-P368 HydrophobicContact CD1-CB 4.37Å; L209-P368 HydrophobicContact CD1-CG 4.19Å; L209-P368 WeakPolarHBondContact CD1-O 3.41Å; I210-P368 PolarHBondContact N-O 2.83Å; Y311-P368 HydrophobicContact CD2-CB 4.17Å; L314-P368 HydrophobicContact CD1-CB 3.5Å; L314-P368 VanDerWaalsContact CD1-CB 3.5Å; L314-P368 HydrophobicContact CG-CB 4.19Å; L349-P368 HydrophobicContact CD1-CG 4.32Å; L349-P368 HydrophobicContact CD2-CB 4.07Å; L349-P368 HydrophobicContact CD2-CG 3.98Å; A366-P368 VanDerWaalsContact C-CD 3.48Å; A366-P368 WeakPolarHBondContact O-CD 3.41Å; P368-T389 HydrophobicContact CG-CG2 3.72Å |
| 369 | V | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.4 | 171.1 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | I210 K218 I310 Y311 D312 D313 L314 | I210-V369 HydrophobicContact CB-CG2 4.38Å; I210-V369 CarbonylContact O-C 3.55Å; I210-V369 VanDerWaalsContact O-CA 3.29Å; I210-V369 WeakPolarHBondContact O-CA 3.36Å; K218-V369 HydrophobicContact CB-CG1 3.92Å; K218-V369 HydrophobicContact CD-CG1 3.74Å; K218-V369 HydrophobicContact CG-CG1 4.41Å; I310-V369 HydrophobicContact CG2-CG2 4.36Å; Y311-V369 WeakPolarHBondContact O-CA 3.24Å; Y311-V369 WeakPolarHBondContact O-CB 3.12Å; Y311-V369 WeakPolarHBondContact O-CG2 3.27Å; Y311-V369 PolarHBondContact O-N 3.44Å; D312-V369 HydrophobicContact CB-CG2 4.32Å; D313-V369 HydrophobicContact CB-CB 3.98Å; D313-V369 HydrophobicContact CB-CG1 4.05Å; D313-V369 WeakPolarHBondContact CB-O 3.43Å; L314-V369 PolarHBondContact N-O 2.77Å |
| 370 | I | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.7 | 170.7 | -72.2 | -65.3 | 0 | 0 | 0 | 109.3 | L209 I210 I211 G212 L314 S315 I381 P382 V385 | L209-I370 HydrophobicContact CD1-CB 3.91Å; L209-I370 HydrophobicContact CD1-CG1 3.62Å; I210-I370 PolarHBondContact O-N 3.11Å; I211-I370 WeakPolarHBondContact CA-O 3.12Å; I211-I370 HydrophobicContact CD1-CG2 4.12Å; I211-I370 HydrophobicContact CG1-CB 4.4Å; I211-I370 HydrophobicContact CG1-CG2 4.17Å; G212-I370 PolarHBondContact N-O 3.34Å; L314-I370 HydrophobicContact CB-CD1 3.69Å; S315-I370 WeakPolarHBondContact OG-CD1 3.5Å; I370-I381 HydrophobicContact CD1-CG2 3.98Å; I370-P382 HydrophobicContact CG2-CB 4.35Å; I370-P382 HydrophobicContact CG2-CG 3.92Å; I370-V385 HydrophobicContact CD1-CG2 4.06Å; I370-V385 HydrophobicContact CG1-CB 4.22Å; I370-V385 HydrophobicContact CG1-CG1 4.18Å; I370-V385 HydrophobicContact CG1-CG2 4.2Å |
| 371 | E | 95.6 | Very high | 94.2 | Very high | 50 Ų | 50 | 28.7 Ų | 28.7 | 23% | 0.234 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.8 | 168.7 | -176.5 | 169.7 | 109 | 0 | 0 | 109.9 | S315 | S315-E371 PolarHBondContact OG-N 3.46Å; S315-E371 VanDerWaalsContact OG-N 3.09Å; S315-E371 PolarHBondContact OG-O 3.49Å |
| 372 | T | 94.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | trans | -87.4 | 158.3 | 168.3 | 48.4 | 0 | 0 | 0 | 0 | 110.7 | I211 G212 D213 P382 | I211-T372 HydrophobicContact CD1-CG2 3.67Å; I211-T372 HydrophobicContact CG1-CG2 3.6Å; G212-T372 PolarHBondContact O-N 2.76Å; G212-T372 PolarHBondContact O-OG1 3Å; D213-T372 PolarHBondContact N-OG1 2.89Å; D213-T372 VanDerWaalsContact N-OG1 3.15Å; D213-T372 WeakPolarHBondContact OD1-CB 3.33Å; D213-T372 PolarHBondContact OD1-OG1 2.91Å; T372-P382 HydrophobicContact CG2-CG 4.22Å | ||
| 373 | Q | 88.9 | Confident | 94.2 | Very high | 137 Ų | 137 | 31.8 Ų | 31.8 | 64% | 0.64 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -105 | 116.4 | 171.1 | -61.9 | -61.2 | -42.8 | 0 | 0 | 107.9 | G375 D376 | Q373-G375 VanDerWaalsContact C-N 3.25Å; Q373-G375 PolarHBondContact O-N 2.82Å; Q373-D376 WeakPolarHBondContact O-CB 3.39Å; Q373-D376 PolarHBondContact O-N 2.89Å |
| 374 | A | 88.2 | Confident | 94 | Very high | 99 Ų | 99 | 32.6 Ų | 32.6 | 82% | 0.818 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 39.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D213 D376 | D213-A374 PolarHBondContact OD1-N 3.02Å; A374-D376 PolarHBondContact O-N 3.28Å |
| 375 | G | 85.3 | Confident | 93.9 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 33% | 0.33 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | 5.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D213 Q373 V377 | D213-G375 VanDerWaalsContact CG-N 3.27Å; D213-G375 WeakPolarHBondContact OD1-CA 3.49Å; D213-G375 PolarHBondContact OD1-N 2.98Å; D213-G375 PolarHBondContact OD2-N 2.84Å; D213-G375 VanDerWaalsContact OD2-N 3.07Å; Q373-G375 VanDerWaalsContact C-N 3.25Å; Q373-G375 PolarHBondContact O-N 2.82Å; G375-V377 PolarHBondContact O-N 2.8Å |
| 376 | D | 88.8 | Confident | 93.8 | Very high | 70 Ų | 70 | 34.8 Ų | 34.8 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | trans | -74.1 | 101.1 | -177.1 | -175.2 | 13 | 0 | 0 | 0 | 112.2 | Q373 A374 S378 A379 | Q373-D376 WeakPolarHBondContact O-CB 3.39Å; Q373-D376 PolarHBondContact O-N 2.89Å; A374-D376 PolarHBondContact O-N 3.28Å; D376-S378 VanDerWaalsContact C-N 3.34Å; D376-S378 WeakPolarHBondContact OD1-CA 3.36Å; D376-S378 VanDerWaalsContact OD1-CB 3.32Å; D376-S378 WeakPolarHBondContact OD1-CB 3.47Å; D376-S378 PolarHBondContact OD1-N 3.21Å; D376-S378 PolarHBondContact OD1-OG 2.95Å; D376-A379 PolarHBondContact OD1-N 2.82Å | ||
| 377 | V | 87.8 | Confident | 93.7 | Very high | 60 Ų | 60 | 38.2 Ų | 38.2 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -81 | -13.4 | 173.4 | -66.1 | 0 | 0 | 0 | 0 | 113.7 | I211 G375 A379 T383 F394 | I211-V377 HydrophobicContact CD1-CG1 4.39Å; G375-V377 PolarHBondContact O-N 2.8Å; V377-A379 VanDerWaalsContact C-N 3.32Å; V377-T383 PolarHBondContact O-OG1 3.34Å; V377-F394 HydrophobicContact CG1-CD2 4.04Å; V377-F394 HydrophobicContact CG1-CE2 3.17Å; V377-F394 HydrophobicContact CG1-CZ 3.72Å |
| 378 | S | 89.6 | Confident | 93.7 | Very high | 73 Ų | 73 | 38.7 Ų | 38.7 | 51% | 0.51 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -86.5 | -6.8 | -178.2 | 77.9 | 0 | 0 | 0 | 0 | 113.3 | R334 D376 T383 | R334-S378 PolarHBondContact NH2-O 3.42Å; D376-S378 VanDerWaalsContact C-N 3.34Å; D376-S378 WeakPolarHBondContact OD1-CA 3.36Å; D376-S378 VanDerWaalsContact OD1-CB 3.32Å; D376-S378 WeakPolarHBondContact OD1-CB 3.47Å; D376-S378 PolarHBondContact OD1-N 3.21Å; D376-S378 PolarHBondContact OD1-OG 2.95Å; S378-T383 PolarHBondContact O-OG1 3.3Å |
| 379 | A | 92.5 | Very high | 93.6 | Very high | 21 Ų | 21 | 38.7 Ų | 38.7 | 17% | 0.174 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -56.7 | 153.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D376 V377 I381 P382 T383 | D376-A379 PolarHBondContact OD1-N 2.82Å; V377-A379 VanDerWaalsContact C-N 3.32Å; A379-I381 PolarHBondContact O-N 2.86Å; A379-P382 HydrophobicContact CB-CG 4.05Å; A379-P382 WeakPolarHBondContact O-CD 3.21Å; A379-T383 WeakPolarHBondContact O-CB 3.03Å; A379-T383 PolarHBondContact O-N 3.4Å; A379-T383 VanDerWaalsContact O-N 3.11Å; A379-T383 PolarHBondContact O-OG1 3.17Å |
| 380 | Y | 92.4 | Very high | 93.6 | Very high | 43 Ų | 43 | 40.2 Ų | 40.2 | 17% | 0.169 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | -167.1 | -176.2 | -140.6 | 0 | 0 | 0 | 113.7 | R334 E335 Y337 V341 N384 | R334-Y380 HydrophobicContact CB-CD1 4.29Å; R334-Y380 HydrophobicContact CB-CE1 4.39Å; R334-Y380 HydrophobicContact CB-CG 4.48Å; R334-Y380 HydrophobicContact CG-CG 4.33Å; E335-Y380 VanDerWaalsContact OE1-CB 3.31Å; E335-Y380 WeakPolarHBondContact OE1-CB 3.28Å; E335-Y380 PolarHBondContact OE1-N 3.29Å; Y337-Y380 AromaticContact CD2-CD1 3.82Å; Y337-Y380 HydrophobicContact CD2-CD1 3.82Å; Y337-Y380 HydrophobicContact CD2-CE1 4.47Å; Y337-Y380 HydrophobicContact CG-CD1 4.27Å; V341-Y380 HydrophobicContact CG1-CD1 4.33Å; V341-Y380 HydrophobicContact CG1-CE1 3.45Å; V341-Y380 VanDerWaalsContact CG1-CE1 3.45Å; Y380-N384 WeakPolarHBondContact CE2-ND2 3.48Å; Y380-N384 PolarHBondContact O-N 3.36Å; Y380-N384 VanDerWaalsContact O-N 3.15Å; Y380-N384 PolarHBondContact O-ND2 2.69Å |
| 381 | I | 95.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.5 | -49.1 | -178.4 | -58.1 | -57.2 | 0 | 0 | 0 | 112.7 | A318 Y337 V341 I370 A379 T383 N384 V385 | A318-I381 HydrophobicContact CB-CD1 3.83Å; A318-I381 HydrophobicContact CB-CG1 4.02Å; A318-I381 HydrophobicContact CB-CG2 4.3Å; Y337-I381 HydrophobicContact CD1-CD1 4.04Å; Y337-I381 HydrophobicContact CD2-CD1 4.21Å; Y337-I381 HydrophobicContact CD2-CG1 4.37Å; Y337-I381 HydrophobicContact CE1-CD1 3.94Å; Y337-I381 HydrophobicContact CE1-CG1 4.01Å; Y337-I381 HydrophobicContact CE2-CD1 4.08Å; Y337-I381 HydrophobicContact CE2-CG1 3.76Å; Y337-I381 HydrophobicContact CG-CD1 4.19Å; V341-I381 HydrophobicContact CG1-CD1 4.27Å; V341-I381 HydrophobicContact CG2-CD1 3.71Å; I370-I381 HydrophobicContact CD1-CG2 3.98Å; A379-I381 PolarHBondContact O-N 2.86Å; I381-T383 VanDerWaalsContact C-N 3.32Å; I381-T383 PolarHBondContact O-N 3.36Å; I381-N384 PolarHBondContact O-N 3.06Å; I381-V385 HydrophobicContact CG2-CG2 4.37Å; I381-V385 WeakPolarHBondContact O-CG2 3.38Å; I381-V385 PolarHBondContact O-N 2.98Å |
| 382 | P | 95.8 | Very high | 93.6 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -50.9 | -49.2 | 172.4 | -32 | 38.1 | 0 | 0 | 0 | 113.5 | I211 I370 T372 A379 N384 V385 I386 | I211-P382 HydrophobicContact CD1-CB 3.87Å; I370-P382 HydrophobicContact CG2-CB 4.35Å; I370-P382 HydrophobicContact CG2-CG 3.92Å; T372-P382 HydrophobicContact CG2-CG 4.22Å; A379-P382 HydrophobicContact CB-CG 4.05Å; A379-P382 WeakPolarHBondContact O-CD 3.21Å; P382-N384 VanDerWaalsContact C-N 3.34Å; P382-N384 PolarHBondContact O-N 2.85Å; P382-V385 PolarHBondContact O-N 2.82Å; P382-I386 WeakPolarHBondContact O-CB 3.18Å; P382-I386 WeakPolarHBondContact O-CD1 3.33Å; P382-I386 VanDerWaalsContact O-CG1 3.23Å; P382-I386 WeakPolarHBondContact O-CG1 3.33Å; P382-I386 PolarHBondContact O-N 3.15Å |
| 383 | T | 95.3 | Very high | 93.8 | Very high | 64 Ų | 64 | 39.1 Ų | 39.1 | 39% | 0.393 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.4 | -45.7 | -179.7 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | V377 S378 A379 I381 S387 | V377-T383 PolarHBondContact O-OG1 3.34Å; S378-T383 PolarHBondContact O-OG1 3.3Å; A379-T383 WeakPolarHBondContact O-CB 3.03Å; A379-T383 PolarHBondContact O-N 3.4Å; A379-T383 VanDerWaalsContact O-N 3.11Å; A379-T383 PolarHBondContact O-OG1 3.17Å; I381-T383 VanDerWaalsContact C-N 3.32Å; I381-T383 PolarHBondContact O-N 3.36Å; T383-S387 PolarHBondContact O-N 3.13Å |
| 384 | N | 95 | Very high | 94.1 | Very high | 17 Ų | 17 | 33.3 Ų | 33.3 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.9 | -49.9 | 177.6 | -73.2 | -13.2 | 0 | 0 | 0 | 111.5 | F342 Y380 I381 P382 I386 S387 I388 | F342-N384 HydrophobicContact CD2-CB 3.97Å; Y380-N384 WeakPolarHBondContact CE2-ND2 3.48Å; Y380-N384 PolarHBondContact O-N 3.36Å; Y380-N384 VanDerWaalsContact O-N 3.15Å; Y380-N384 PolarHBondContact O-ND2 2.69Å; I381-N384 PolarHBondContact O-N 3.06Å; P382-N384 VanDerWaalsContact C-N 3.34Å; P382-N384 PolarHBondContact O-N 2.85Å; N384-I386 PolarHBondContact O-N 3.03Å; N384-S387 PolarHBondContact O-N 3.49Å; N384-S387 PolarHBondContact O-OG 3.42Å; N384-I388 WeakPolarHBondContact O-CD1 3.29Å; N384-I388 VanDerWaalsContact O-CG1 3.29Å; N384-I388 WeakPolarHBondContact O-CG1 3.48Å; N384-I388 PolarHBondContact O-N 3.2Å |
| 385 | V | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.6 | -37.7 | -175.8 | -178 | 0 | 0 | 0 | 0 | 111.6 | L209 L349 I370 I381 P382 S387 I388 T389 | L209-V385 HydrophobicContact CD1-CG1 3.73Å; L209-V385 HydrophobicContact CD2-CB 4.49Å; L209-V385 HydrophobicContact CD2-CG1 4.11Å; L209-V385 HydrophobicContact CG-CG1 4.42Å; L349-V385 HydrophobicContact CD1-CG1 4.13Å; I370-V385 HydrophobicContact CD1-CG2 4.06Å; I370-V385 HydrophobicContact CG1-CB 4.22Å; I370-V385 HydrophobicContact CG1-CG1 4.18Å; I370-V385 HydrophobicContact CG1-CG2 4.2Å; I381-V385 HydrophobicContact CG2-CG2 4.37Å; I381-V385 WeakPolarHBondContact O-CG2 3.38Å; I381-V385 PolarHBondContact O-N 2.98Å; P382-V385 PolarHBondContact O-N 2.82Å; V385-S387 VanDerWaalsContact C-N 3.25Å; V385-S387 PolarHBondContact O-N 3.39Å; V385-I388 PolarHBondContact O-N 3.09Å; V385-T389 HydrophobicContact CG1-CG2 3.98Å; V385-T389 PolarHBondContact O-N 3.31Å; V385-T389 PolarHBondContact O-OG1 2.67Å |
| 386 | I | 96.8 | Very high | 94.9 | Very high | 46 Ų | 46 | 29.4 Ų | 29.4 | 24% | 0.236 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.2 | -42.4 | 173.1 | -70.1 | 164.6 | 0 | 0 | 0 | 110.7 | L209 I211 P382 N384 I388 R416 | L209-I386 HydrophobicContact CD2-CG1 3.59Å; I211-I386 HydrophobicContact CD1-CD1 4.23Å; P382-I386 WeakPolarHBondContact O-CB 3.18Å; P382-I386 WeakPolarHBondContact O-CD1 3.33Å; P382-I386 VanDerWaalsContact O-CG1 3.23Å; P382-I386 WeakPolarHBondContact O-CG1 3.33Å; P382-I386 PolarHBondContact O-N 3.15Å; N384-I386 PolarHBondContact O-N 3.03Å; I386-I388 VanDerWaalsContact C-N 3.27Å; I386-I388 PolarHBondContact O-N 2.91Å; I386-R416 PolarHBondContact O-NH2 3.39Å |
| 387 | S | 96.6 | Very high | 95.1 | Very high | 73 Ų | 73 | 27.7 Ų | 27.7 | 51% | 0.51 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -70.3 | -20.3 | 178.7 | 74.4 | 0 | 0 | 0 | 0 | 114.3 | F342 T383 N384 V385 | F342-S387 WeakPolarHBondContact CE2-OG 3.32Å; T383-S387 PolarHBondContact O-N 3.13Å; N384-S387 PolarHBondContact O-N 3.49Å; N384-S387 PolarHBondContact O-OG 3.42Å; V385-S387 VanDerWaalsContact C-N 3.25Å; V385-S387 PolarHBondContact O-N 3.39Å |
| 388 | I | 97.3 | Very high | 95.3 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 6% | 0.056 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -92.9 | -39.6 | -177.4 | -65.5 | 161.2 | 0 | 0 | 0 | 112 | F342 H345 L349 N384 V385 I386 | F342-I388 HydrophobicContact CD2-CD1 4.03Å; F342-I388 HydrophobicContact CD2-CG1 4.43Å; F342-I388 HydrophobicContact CE2-CD1 3.74Å; F342-I388 HydrophobicContact CE2-CG1 3.64Å; F342-I388 HydrophobicContact CZ-CD1 4.09Å; F342-I388 HydrophobicContact CZ-CG1 3.73Å; H345-I388 HydrophobicContact CB-CD1 3.89Å; L349-I388 HydrophobicContact CB-CG2 3.8Å; L349-I388 HydrophobicContact CD1-CB 4.43Å; L349-I388 HydrophobicContact CD1-CG2 3.79Å; L349-I388 HydrophobicContact CG-CG2 4.4Å; N384-I388 WeakPolarHBondContact O-CD1 3.29Å; N384-I388 VanDerWaalsContact O-CG1 3.29Å; N384-I388 WeakPolarHBondContact O-CG1 3.48Å; N384-I388 PolarHBondContact O-N 3.2Å; V385-I388 PolarHBondContact O-N 3.09Å; I386-I388 VanDerWaalsContact C-N 3.27Å; I386-I388 PolarHBondContact O-N 2.91Å |
| 389 | T | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -69.5 | 176.4 | -179.5 | 57.1 | 0 | 0 | 0 | 0 | 111.2 | R207 L209 L349 P368 V385 G391 R416 | R207-T389 HydrophobicContact CB-CG2 4.29Å; R207-T389 WeakPolarHBondContact O-CB 3.43Å; L209-T389 HydrophobicContact CB-CG2 3.96Å; L349-T389 HydrophobicContact CD1-CG2 4.09Å; P368-T389 HydrophobicContact CG-CG2 3.72Å; V385-T389 HydrophobicContact CG1-CG2 3.98Å; V385-T389 PolarHBondContact O-N 3.31Å; V385-T389 PolarHBondContact O-OG1 2.67Å; T389-G391 WeakPolarHBondContact CB-O 3.22Å; T389-G391 PolarHBondContact OG1-O 3.28Å; T389-R416 PolarHBondContact O-NH1 3.39Å; T389-R416 PolarHBondContact O-NH2 2.99Å |
| 390 | D | 97.3 | Very high | 95.4 | Very high | 31 Ų | 31 | 29.2 Ų | 29.2 | 17% | 0.166 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -96.6 | -4.8 | 174.4 | -56.3 | -59.1 | 0 | 0 | 0 | 112.1 | Q206 R207 R416 | Q206-D390 HydrophobicContact CG-CB 3.85Å; R207-D390 IonicContact CZ-OD1 3.57Å; R207-D390 IonicContact CZ-OD2 3.57Å; R207-D390 PolarHBondContact N-OD2 3.48Å; R207-D390 IonicContact NE-OD1 2.84Å; R207-D390 IonicContact NE-OD2 3.31Å; R207-D390 PolarHBondContact NE-OD2 2.72Å; R207-D390 IonicContact NH2-OD1 3.5Å; R207-D390 PolarHBondContact NH2-OD1 3.21Å; R207-D390 IonicContact NH2-OD2 3.66Å; R207-D390 PolarHBondContact NH2-OD2 3.04Å; R207-D390 WeakPolarHBondContact O-CB 3.34Å; R207-D390 PolarHBondContact O-N 2.8Å; D390-R416 VanDerWaalsContact C-CZ 3.43Å; D390-R416 VanDerWaalsContact C-NE 3.32Å; D390-R416 WeakPolarHBondContact O-CB 3.41Å; D390-R416 WeakPolarHBondContact O-CD 3.33Å; D390-R416 WeakPolarHBondContact O-CG 3.4Å; D390-R416 PolarHBondContact O-N 3.34Å; D390-R416 PolarHBondContact O-NE 3.33Å |
| 391 | G | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.6 | 178.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R207 E208 L209 T389 V414 | R207-G391 PolarHBondContact O-N 3.12Å; E208-G391 VanDerWaalsContact OE1-C 3.28Å; E208-G391 WeakPolarHBondContact OE2-CA 3.5Å; L209-G391 WeakPolarHBondContact CB-O 3.45Å; L209-G391 PolarHBondContact N-O 3.45Å; T389-G391 WeakPolarHBondContact CB-O 3.22Å; T389-G391 PolarHBondContact OG1-O 3.28Å; G391-V414 CarbonylContact C-O 3.2Å; G391-V414 WeakPolarHBondContact CA-O 3.35Å |
| 392 | Q | 97.4 | Very high | 95.2 | Very high | 31 Ų | 31 | 42.1 Ų | 42.1 | 15% | 0.145 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 143.3 | 176.3 | 71.3 | -80.2 | -0.8 | 0 | 0 | 112.4 | E208 L209 I211 L412 S413 V414 | E208-Q392 PolarHBondContact OE1-N 3.38Å; L209-Q392 HydrophobicContact CB-CB 3.93Å; L209-Q392 HydrophobicContact CD2-CB 4.22Å; L209-Q392 HydrophobicContact CG-CB 4.3Å; L209-Q392 CarbonylContact O-C 2.97Å; L209-Q392 VanDerWaalsContact O-CA 3.23Å; L209-Q392 WeakPolarHBondContact O-CA 3.23Å; I211-Q392 HydrophobicContact CG2-CB 4.12Å; Q392-L412 PolarHBondContact NE2-O 2.7Å; Q392-S413 CarbonylContact O-C 3.5Å; Q392-S413 WeakPolarHBondContact O-CA 3.44Å; Q392-S413 WeakPolarHBondContact O-CB 3.33Å; Q392-V414 PolarHBondContact N-O 2.73Å; Q392-V414 PolarHBondContact O-N 3.11Å |
| 393 | I | 97.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 109.1 | 165.6 | -59.2 | 167.5 | 0 | 0 | 0 | 106.3 | V196 V200 I202 E208 L209 I210 I211 I221 L395 I408 | V196-I393 HydrophobicContact CG1-CD1 3.79Å; V196-I393 HydrophobicContact CG2-CD1 4.13Å; V200-I393 HydrophobicContact CB-CG1 4.36Å; V200-I393 HydrophobicContact CG1-CG1 3.97Å; I202-I393 HydrophobicContact CD1-CD1 4.08Å; E208-I393 HydrophobicContact CG-CD1 4.03Å; E208-I393 HydrophobicContact CG-CG1 4.04Å; L209-I393 PolarHBondContact O-N 3.43Å; I210-I393 HydrophobicContact CG1-CD1 4.45Å; I211-I393 PolarHBondContact N-O 3.19Å; I221-I393 HydrophobicContact CD1-CG2 4.36Å; I393-L395 HydrophobicContact CG2-CD2 4.16Å; I393-I408 HydrophobicContact CG2-CD1 3.99Å; I393-I408 HydrophobicContact CG2-CG1 3.98Å; I393-I408 HydrophobicContact CG2-CG2 4.25Å |
| 394 | F | 96.8 | Very high | 94.8 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 7% | 0.066 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 120.9 | -178.1 | -165.5 | -94.4 | 0 | 0 | 0 | 110.7 | I211 V377 E396 I408 N409 L412 S413 | I211-F394 HydrophobicContact CG1-CD2 4.34Å; I211-F394 HydrophobicContact CG1-CE2 4.23Å; I211-F394 HydrophobicContact CG2-CB 4.4Å; I211-F394 HydrophobicContact CG2-CD2 3.65Å; I211-F394 HydrophobicContact CG2-CE2 4.38Å; I211-F394 HydrophobicContact CG2-CG 4.48Å; I211-F394 CarbonylContact O-C 3.42Å; I211-F394 WeakPolarHBondContact O-CA 3.48Å; V377-F394 HydrophobicContact CG1-CD2 4.04Å; V377-F394 HydrophobicContact CG1-CE2 3.17Å; V377-F394 HydrophobicContact CG1-CZ 3.72Å; F394-E396 HydrophobicContact CD1-CG 3.8Å; F394-E396 HydrophobicContact CE1-CG 3.59Å; F394-I408 WeakPolarHBondContact O-CA 3.45Å; F394-N409 HydrophobicContact CD1-CB 4.03Å; F394-N409 PolarHBondContact O-N 3.32Å; F394-L412 HydrophobicContact CB-CB 3.9Å; F394-L412 HydrophobicContact CD1-CB 4.14Å; F394-L412 HydrophobicContact CD1-CD1 3.62Å; F394-L412 HydrophobicContact CE1-CD1 3.73Å; F394-L412 HydrophobicContact CG-CB 4.02Å; F394-L412 HydrophobicContact CG-CD1 4.16Å; F394-L412 HydrophobicContact CZ-CD1 4.41Å; F394-S413 PolarHBondContact N-OG 2.98Å |
| 395 | L | 96.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 127 | 178.3 | -56.4 | -174.9 | 0 | 0 | 0 | 111.7 | I210 I211 G212 K218 I221 I393 A407 I408 | I210-L395 HydrophobicContact CG2-CD1 4.39Å; I211-L395 PolarHBondContact O-N 2.76Å; G212-L395 WeakPolarHBondContact CA-O 3.47Å; K218-L395 HydrophobicContact CB-CD1 4.26Å; K218-L395 HydrophobicContact CG-CD1 3.68Å; I221-L395 HydrophobicContact CD1-CD1 3.89Å; I221-L395 HydrophobicContact CD1-CD2 3.74Å; I221-L395 HydrophobicContact CD1-CG 4.34Å; I393-L395 HydrophobicContact CG2-CD2 4.16Å; L395-A407 VanDerWaalsContact CA-O 3.27Å; L395-A407 WeakPolarHBondContact CA-O 3.38Å; L395-I408 HydrophobicContact CD2-CB 4.39Å; L395-I408 HydrophobicContact CD2-CG1 3.62Å |
| 396 | E | 93.4 | Very high | 94.7 | Very high | 46 Ų | 46 | 47.7 Ų | 47.7 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | trans | -106.6 | 134.9 | -179 | -76.3 | 178.7 | 159.7 | 0 | 0 | 112.7 | F394 E398 L399 F400 A407 N409 R441 | F394-E396 HydrophobicContact CD1-CG 3.8Å; F394-E396 HydrophobicContact CE1-CG 3.59Å; E396-E398 VanDerWaalsContact C-N 3.31Å; E396-E398 PolarHBondContact O-N 3.06Å; E396-L399 HydrophobicContact CB-CB 4.31Å; E396-L399 HydrophobicContact CB-CD1 3.94Å; E396-L399 HydrophobicContact CB-CG 3.93Å; E396-L399 PolarHBondContact O-N 3.12Å; E396-L399 WeakPolarHBondContact OE2-CD1 3.48Å; E396-F400 PolarHBondContact O-N 3.39Å; E396-A407 PolarHBondContact N-O 2.58Å; E396-A407 WeakPolarHBondContact O-CB 3.27Å; E396-N409 HydrophobicContact CG-CB 4.05Å; E396-N409 PolarHBondContact OE1-ND2 3.22Å; E396-N409 PolarHBondContact OE2-ND2 3.48Å; E396-N409 VanDerWaalsContact OE2-ND2 3.11Å; E396-R441 IonicContact OE2-NH1 3.66Å; E396-R441 PolarHBondContact OE2-NH1 2.82Å | ||
| 397 | T | 93.1 | Very high | 94.6 | Very high | 34 Ų | 34 | 45.5 Ų | 45.5 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -37.2 | 175.9 | -45.3 | 0 | 0 | 0 | 0 | 111.7 | D213 F400 Y401 | D213-T397 WeakPolarHBondContact CB-OG1 3.42Å; D213-T397 PolarHBondContact OD2-OG1 3.43Å; T397-F400 WeakPolarHBondContact O-CB 3.27Å; T397-F400 PolarHBondContact O-N 2.63Å; T397-Y401 HydrophobicContact CG2-CD2 3.91Å; T397-Y401 HydrophobicContact CG2-CE2 3.31Å; T397-Y401 VanDerWaalsContact O-CD2 3.27Å; T397-Y401 WeakPolarHBondContact O-CD2 3.45Å; T397-Y401 PolarHBondContact O-N 3.15Å |
| 398 | E | 91.6 | Very high | 94.5 | Very high | 132 Ų | 132 | 42.4 Ų | 42.4 | 62% | 0.617 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -63.7 | -44.1 | 179.2 | -65.3 | -172 | -175.1 | 0 | 0 | 112.9 | E396 F400 Y401 K402 | E396-E398 VanDerWaalsContact C-N 3.31Å; E396-E398 PolarHBondContact O-N 3.06Å; E398-F400 VanDerWaalsContact C-N 3.27Å; E398-F400 PolarHBondContact O-N 3.25Å; E398-Y401 PolarHBondContact O-N 3.46Å; E398-K402 WeakPolarHBondContact O-CG 3.35Å; E398-K402 PolarHBondContact O-N 2.97Å |
| 399 | L | 92.2 | Very high | 94.3 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 7% | 0.073 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 176.3 | -62.6 | 176.6 | 0 | 0 | 0 | 110.8 | E396 Y401 K402 G403 I404 A407 I408 N409 | E396-L399 HydrophobicContact CB-CB 4.31Å; E396-L399 HydrophobicContact CB-CD1 3.94Å; E396-L399 HydrophobicContact CB-CG 3.93Å; E396-L399 PolarHBondContact O-N 3.12Å; E396-L399 WeakPolarHBondContact OE2-CD1 3.48Å; L399-Y401 VanDerWaalsContact C-N 3.34Å; L399-Y401 PolarHBondContact O-N 3.23Å; L399-K402 CarbonylContact O-C 3.39Å; L399-K402 PolarHBondContact O-N 3.45Å; L399-G403 PolarHBondContact O-N 3.29Å; L399-I404 HydrophobicContact CB-CB 4.27Å; L399-I404 HydrophobicContact CD2-CD1 3.84Å; L399-I404 WeakPolarHBondContact O-CB 3.31Å; L399-I404 PolarHBondContact O-N 3.23Å; L399-A407 HydrophobicContact CB-CB 4.08Å; L399-I408 WeakPolarHBondContact CD1-O 3.33Å; L399-N409 HydrophobicContact CD1-CB 4.4Å |
| 400 | F | 92 | Very high | 94 | Very high | 40 Ų | 40 | 43 Ų | 43 | 18% | 0.175 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 177.7 | -173 | -88.9 | 0 | 0 | 0 | 112.4 | E396 T397 E398 G403 R405 A407 | E396-F400 PolarHBondContact O-N 3.39Å; T397-F400 WeakPolarHBondContact O-CB 3.27Å; T397-F400 PolarHBondContact O-N 2.63Å; E398-F400 VanDerWaalsContact C-N 3.27Å; E398-F400 PolarHBondContact O-N 3.25Å; F400-G403 PolarHBondContact O-N 3.23Å; F400-R405 HydrophobicContact CD2-CG 4.14Å; F400-R405 HydrophobicContact CE2-CG 4.22Å; F400-A407 HydrophobicContact CB-CB 3.8Å; F400-A407 HydrophobicContact CD2-CB 4.28Å |
| 401 | Y | 91.7 | Very high | 93.6 | Very high | 180 Ų | 180 | 43.8 Ų | 43.8 | 71% | 0.706 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -73.6 | -29.2 | 176.2 | -68.2 | -47.1 | 0 | 0 | 0 | 113.3 | T397 E398 L399 G403 | T397-Y401 HydrophobicContact CG2-CD2 3.91Å; T397-Y401 HydrophobicContact CG2-CE2 3.31Å; T397-Y401 VanDerWaalsContact O-CD2 3.27Å; T397-Y401 WeakPolarHBondContact O-CD2 3.45Å; T397-Y401 PolarHBondContact O-N 3.15Å; E398-Y401 PolarHBondContact O-N 3.46Å; L399-Y401 VanDerWaalsContact C-N 3.34Å; L399-Y401 PolarHBondContact O-N 3.23Å; Y401-G403 PolarHBondContact O-N 3.43Å |
| 402 | K | 90.8 | Very high | 93.4 | Very high | 140 Ų | 140 | 47.9 Ų | 47.9 | 61% | 0.609 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 2.1 | 170 | -70.2 | 173.9 | -177.8 | 172 | 0 | 113.4 | E398 L399 I404 | E398-K402 WeakPolarHBondContact O-CG 3.35Å; E398-K402 PolarHBondContact O-N 2.97Å; L399-K402 CarbonylContact O-C 3.39Å; L399-K402 PolarHBondContact O-N 3.45Å; K402-I404 VanDerWaalsContact C-N 3.31Å; K402-I404 PolarHBondContact O-N 3.4Å |
| 403 | G | 91.1 | Very high | 93.2 | Very high | 32 Ų | 32 | 46.4 Ų | 46.4 | 33% | 0.33 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 13 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L399 F400 Y401 R405 K472 | L399-G403 PolarHBondContact O-N 3.29Å; F400-G403 PolarHBondContact O-N 3.23Å; Y401-G403 PolarHBondContact O-N 3.43Å; G403-R405 PolarHBondContact O-N 3.43Å; G403-K472 VanDerWaalsContact O-CE 3.31Å; G403-K472 WeakPolarHBondContact O-CE 3.39Å |
| 404 | I | 92.4 | Very high | 93.1 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 16% | 0.159 | 25% | 0.248 | C | C | . | . | trans | -85.5 | 108.4 | 172.9 | -59 | 166.9 | 0 | 0 | 0 | 107.6 | L399 K402 A407 T468 | L399-I404 HydrophobicContact CB-CB 4.27Å; L399-I404 HydrophobicContact CD2-CD1 3.84Å; L399-I404 WeakPolarHBondContact O-CB 3.31Å; L399-I404 PolarHBondContact O-N 3.23Å; K402-I404 VanDerWaalsContact C-N 3.31Å; K402-I404 PolarHBondContact O-N 3.4Å; I404-A407 WeakPolarHBondContact O-CA 3.41Å; I404-T468 HydrophobicContact CD1-CG2 3.69Å; I404-T468 HydrophobicContact CG1-CG2 4.05Å; I404-T468 HydrophobicContact CG2-CG2 4.45Å | ||
| 405 | R | 94.3 | Very high | 93.1 | Very high | 116 Ų | 116 | 48.8 Ų | 48.8 | 44% | 0.438 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -135.1 | 122.7 | -177.1 | -63 | -179.4 | -175.8 | 168.6 | 3 | 108.5 | F400 G403 K472 Q473 | F400-R405 HydrophobicContact CD2-CG 4.14Å; F400-R405 HydrophobicContact CE2-CG 4.22Å; G403-R405 PolarHBondContact O-N 3.43Å; R405-K472 CarbonylContact O-C 3.34Å; R405-K472 VanDerWaalsContact O-CA 3.31Å; R405-K472 WeakPolarHBondContact O-CA 3.36Å; R405-Q473 PolarHBondContact O-N 2.91Å |
| 406 | P | 94.9 | Very high | 93 | Very high | 26 Ų | 26 | 55.1 Ų | 55.1 | 17% | 0.169 | 27% | 0.274 | C | S | . | . | S | Bend | cis | -67 | 145.3 | 0.9 | 31.2 | -37.4 | 0 | 0 | 0 | 112.8 | I193 A195 I221 I408 | I193-P406 HydrophobicContact CG2-CG 3.76Å; A195-P406 HydrophobicContact CB-CG 4.03Å; I221-P406 HydrophobicContact CD1-CB 4.29Å; I221-P406 HydrophobicContact CG1-CB 4.47Å; P406-I408 HydrophobicContact CB-CD1 4.26Å; P406-I408 HydrophobicContact CB-CG1 4.13Å; P406-I408 HydrophobicContact CG-CD1 4.06Å; P406-I408 HydrophobicContact CG-CG1 4.32Å; P406-I408 PolarHBondContact O-N 3.06Å |
| 407 | A | 94.8 | Very high | 93 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | trans | -83.3 | 49.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L395 E396 L399 F400 I404 | L395-A407 VanDerWaalsContact CA-O 3.27Å; L395-A407 WeakPolarHBondContact CA-O 3.38Å; E396-A407 PolarHBondContact N-O 2.58Å; E396-A407 WeakPolarHBondContact O-CB 3.27Å; L399-A407 HydrophobicContact CB-CB 4.08Å; F400-A407 HydrophobicContact CB-CB 3.8Å; F400-A407 HydrophobicContact CD2-CB 4.28Å; I404-A407 WeakPolarHBondContact O-CA 3.41Å | ||
| 408 | I | 95 | Very high | 92.9 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -80.4 | 126.1 | -172.2 | -58.8 | 177.8 | 0 | 0 | 0 | 110.8 | A195 V196 I393 F394 L395 L399 P406 V410 S413 R441 | A195-I408 HydrophobicContact CB-CD1 3.81Å; V196-I408 HydrophobicContact CG2-CD1 3.53Å; I393-I408 HydrophobicContact CG2-CD1 3.99Å; I393-I408 HydrophobicContact CG2-CG1 3.98Å; I393-I408 HydrophobicContact CG2-CG2 4.25Å; F394-I408 WeakPolarHBondContact O-CA 3.45Å; L395-I408 HydrophobicContact CD2-CB 4.39Å; L395-I408 HydrophobicContact CD2-CG1 3.62Å; L399-I408 WeakPolarHBondContact CD1-O 3.33Å; P406-I408 HydrophobicContact CB-CD1 4.26Å; P406-I408 HydrophobicContact CB-CG1 4.13Å; P406-I408 HydrophobicContact CG-CD1 4.06Å; P406-I408 HydrophobicContact CG-CG1 4.32Å; P406-I408 PolarHBondContact O-N 3.06Å; I408-V410 PolarHBondContact O-N 3.27Å; I408-S413 WeakPolarHBondContact CG2-OG 3.45Å; I408-R441 PolarHBondContact O-NH2 3.06Å |
| 409 | N | 93.4 | Very high | 92.9 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | trans | -79.3 | 112.1 | 166.6 | -177.6 | -40.3 | 0 | 0 | 0 | 109.8 | F394 E396 L399 G411 L412 S413 R441 | F394-N409 HydrophobicContact CD1-CB 4.03Å; F394-N409 PolarHBondContact O-N 3.32Å; E396-N409 HydrophobicContact CG-CB 4.05Å; E396-N409 PolarHBondContact OE1-ND2 3.22Å; E396-N409 PolarHBondContact OE2-ND2 3.48Å; E396-N409 VanDerWaalsContact OE2-ND2 3.11Å; L399-N409 HydrophobicContact CD1-CB 4.4Å; N409-G411 VanDerWaalsContact C-N 3.33Å; N409-G411 PolarHBondContact O-N 2.77Å; N409-G411 WeakPolarHBondContact OD1-CA 3.42Å; N409-G411 PolarHBondContact OD1-N 3.01Å; N409-L412 HydrophobicContact CB-CB 4.25Å; N409-L412 PolarHBondContact OD1-N 3.04Å; N409-S413 WeakPolarHBondContact O-CB 3.37Å; N409-S413 PolarHBondContact O-N 2.97Å; N409-S413 PolarHBondContact O-OG 3.04Å; N409-R441 PolarHBondContact ND2-NH1 3.14Å; N409-R441 PolarHBondContact OD1-NH1 3.22Å | ||
| 410 | V | 90.9 | Very high | 92.9 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -32.8 | -177.7 | -174.9 | 0 | 0 | 0 | 0 | 113.4 | L199 I408 K434 L437 | L199-V410 HydrophobicContact CD1-CB 4.46Å; L199-V410 HydrophobicContact CD1-CG1 4.07Å; L199-V410 HydrophobicContact CD1-CG2 3.73Å; I408-V410 PolarHBondContact O-N 3.27Å; V410-K434 HydrophobicContact CG1-CG 4.05Å; V410-L437 HydrophobicContact CG1-CB 4.02Å; V410-L437 HydrophobicContact CG2-CB 4.49Å; V410-L437 HydrophobicContact CG2-CD1 4.36Å |
| 411 | G | 88.7 | Confident | 93 | Very high | 48 Ų | 48 | 50 Ų | 50 | 50% | 0.495 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -43.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N409 | N409-G411 VanDerWaalsContact C-N 3.33Å; N409-G411 PolarHBondContact O-N 2.77Å; N409-G411 WeakPolarHBondContact OD1-CA 3.42Å; N409-G411 PolarHBondContact OD1-N 3.01Å |
| 412 | L | 91.8 | Very high | 93 | Very high | 85 Ų | 85 | 42.8 Ų | 42.8 | 45% | 0.445 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -22 | -179.8 | -64.3 | 179 | 0 | 0 | 0 | 113.2 | Q392 F394 N409 | Q392-L412 PolarHBondContact NE2-O 2.7Å; F394-L412 HydrophobicContact CB-CB 3.9Å; F394-L412 HydrophobicContact CD1-CB 4.14Å; F394-L412 HydrophobicContact CD1-CD1 3.62Å; F394-L412 HydrophobicContact CE1-CD1 3.73Å; F394-L412 HydrophobicContact CG-CB 4.02Å; F394-L412 HydrophobicContact CG-CD1 4.16Å; F394-L412 HydrophobicContact CZ-CD1 4.41Å; N409-L412 HydrophobicContact CB-CB 4.25Å; N409-L412 PolarHBondContact OD1-N 3.04Å |
| 413 | S | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -83.9 | 131 | 178.9 | -52.1 | 0 | 0 | 0 | 0 | 112.1 | Q392 F394 I408 N409 K434 | Q392-S413 CarbonylContact O-C 3.5Å; Q392-S413 WeakPolarHBondContact O-CA 3.44Å; Q392-S413 WeakPolarHBondContact O-CB 3.33Å; F394-S413 PolarHBondContact N-OG 2.98Å; I408-S413 WeakPolarHBondContact CG2-OG 3.45Å; N409-S413 WeakPolarHBondContact O-CB 3.37Å; N409-S413 PolarHBondContact O-N 2.97Å; N409-S413 PolarHBondContact O-OG 3.04Å; S413-K434 PolarHBondContact O-NZ 2.62Å | ||
| 414 | V | 95.6 | Very high | 93.3 | Very high | 52 Ų | 52 | 44.9 Ų | 44.9 | 32% | 0.315 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 134.6 | -171.5 | 177 | 0 | 0 | 0 | 0 | 109.8 | E208 G391 Q392 R416 | E208-V414 VanDerWaalsContact OE1-O 3.11Å; G391-V414 CarbonylContact C-O 3.2Å; G391-V414 WeakPolarHBondContact CA-O 3.35Å; Q392-V414 PolarHBondContact N-O 2.73Å; Q392-V414 PolarHBondContact O-N 3.11Å; V414-R416 HydrophobicContact CG1-CG 4.45Å |
| 415 | S | 95.8 | Very high | 93.3 | Very high | 15 Ų | 15 | 43.5 Ų | 43.5 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 116.9 | 165.9 | 165.1 | 0 | 0 | 0 | 0 | 107.8 | P201 Q206 V417 G418 | P201-S415 WeakPolarHBondContact O-CB 3.17Å; P201-S415 PolarHBondContact O-OG 3.4Å; Q206-S415 PolarHBondContact NE2-OG 2.81Å; S415-V417 VanDerWaalsContact C-N 3.31Å; S415-G418 PolarHBondContact O-N 2.84Å; S415-G418 PolarHBondContact OG-N 3.31Å |
| 416 | R | 94.7 | Very high | 93.4 | Very high | 134 Ų | 134 | 38 Ų | 38 | 51% | 0.506 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -74.9 | -21.2 | -178.1 | -64.7 | 168.5 | -121.7 | 158.7 | 0.9 | 112.9 | I386 T389 D390 V414 G418 | I386-R416 PolarHBondContact O-NH2 3.39Å; T389-R416 PolarHBondContact O-NH1 3.39Å; T389-R416 PolarHBondContact O-NH2 2.99Å; D390-R416 VanDerWaalsContact C-CZ 3.43Å; D390-R416 VanDerWaalsContact C-NE 3.32Å; D390-R416 WeakPolarHBondContact O-CB 3.41Å; D390-R416 WeakPolarHBondContact O-CD 3.33Å; D390-R416 WeakPolarHBondContact O-CG 3.4Å; D390-R416 PolarHBondContact O-N 3.34Å; D390-R416 PolarHBondContact O-NE 3.33Å; V414-R416 HydrophobicContact CG1-CG 4.45Å; R416-G418 VanDerWaalsContact C-N 3.31Å |
| 417 | V | 93.3 | Very high | 93.3 | Very high | 37 Ų | 37 | 41.7 Ų | 41.7 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -69.3 | -35.8 | 169.4 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | V185 Q206 S415 A420 A421 | V185-V417 HydrophobicContact CB-CG1 4.24Å; V185-V417 HydrophobicContact CG1-CG1 4.21Å; Q206-V417 VanDerWaalsContact CD-CG2 3.48Å; Q206-V417 HydrophobicContact CG-CG2 3.93Å; S415-V417 VanDerWaalsContact C-N 3.31Å; V417-A420 HydrophobicContact CG1-CB 4.11Å; V417-A421 HydrophobicContact CB-CB 4.5Å; V417-A421 HydrophobicContact CG1-CB 3.78Å |
| 418 | G | 91.6 | Very high | 93.2 | Very high | 21 Ų | 21 | 47 Ų | 47 | 22% | 0.216 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | 59.7 | -142.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | P201 S415 R416 A420 A421 | P201-G418 WeakPolarHBondContact CG-O 3.38Å; S415-G418 PolarHBondContact O-N 2.84Å; S415-G418 PolarHBondContact OG-N 3.31Å; R416-G418 VanDerWaalsContact C-N 3.31Å; G418-A420 PolarHBondContact O-N 2.85Å; G418-A421 PolarHBondContact O-N 3.48Å |
| 419 | S | 90.6 | Very high | 93.1 | Very high | 51 Ų | 51 | 47 Ų | 47 | 36% | 0.357 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -63.6 | -9.4 | -173.4 | 72.6 | 0 | 0 | 0 | 0 | 115.4 | A421 Q422 K427 | S419-A421 PolarHBondContact O-N 3.39Å; S419-Q422 PolarHBondContact O-N 3.24Å; S419-K427 WeakPolarHBondContact OG-CE 3.46Å; S419-K427 PolarHBondContact OG-NZ 2.91Å |
| 420 | A | 92.7 | Very high | 93 | Very high | 48 Ų | 48 | 46.7 Ų | 46.7 | 40% | 0.397 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -67.2 | -23.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R186 V417 G418 | R186-A420 CarbonylContact C-O 3.58Å; R186-A420 WeakPolarHBondContact CA-O 3.34Å; V417-A420 HydrophobicContact CG1-CB 4.11Å; G418-A420 PolarHBondContact O-N 2.85Å |
| 421 | A | 93.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -93.5 | 14.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P188 P201 V417 G418 S419 | P188-A421 WeakPolarHBondContact CA-O 3.5Å; P188-A421 VanDerWaalsContact CB-O 3.27Å; P188-A421 WeakPolarHBondContact CB-O 3.41Å; P201-A421 HydrophobicContact CB-CB 4.33Å; V417-A421 HydrophobicContact CB-CB 4.5Å; V417-A421 HydrophobicContact CG1-CB 3.78Å; G418-A421 PolarHBondContact O-N 3.48Å; S419-A421 PolarHBondContact O-N 3.39Å |
| 422 | Q | 92.7 | Very high | 92.9 | Very high | 28 Ų | 28 | 50 Ų | 50 | 13% | 0.131 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -110.2 | 151.6 | 177.8 | -73.1 | -180 | -40.4 | 0 | 0 | 112.1 | D197 S198 P201 S419 K427 | D197-Q422 PolarHBondContact O-NE2 2.98Å; S198-Q422 PolarHBondContact O-NE2 2.88Å; P201-Q422 HydrophobicContact CB-CG 3.35Å; P201-Q422 HydrophobicContact CG-CG 3.63Å; S419-Q422 PolarHBondContact O-N 3.24Å; Q422-K427 HydrophobicContact CB-CB 4.41Å |
| 423 | T | 93.2 | Very high | 92.8 | Very high | 29 Ų | 29 | 46 Ų | 46 | 18% | 0.178 | 25% | 0.251 | C | S | . | . | trans | -64.3 | 151.1 | 162.3 | 62.2 | 0 | 0 | 0 | 0 | 109.4 | P188 A425 M426 K427 I481 | P188-T423 HydrophobicContact CG-CG2 4.05Å; T423-A425 PolarHBondContact O-N 3.43Å; T423-M426 PolarHBondContact O-N 2.88Å; T423-M426 WeakPolarHBondContact OG1-CB 3.49Å; T423-M426 PolarHBondContact OG1-N 2.81Å; T423-K427 PolarHBondContact O-N 3.21Å; T423-I481 HydrophobicContact CG2-CG1 4.26Å | ||
| 424 | R | 93.3 | Very high | 92.6 | Very high | 187 Ų | 187 | 49.1 Ų | 49.1 | 71% | 0.706 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.6 | -37 | -179.7 | -63.7 | 179.7 | 179.2 | 175.9 | -1 | 111.2 | K427 Q428 G530 K531 | R424-K427 PolarHBondContact O-N 2.87Å; R424-Q428 WeakPolarHBondContact O-CG 3.45Å; R424-Q428 PolarHBondContact O-N 3.43Å; R424-G530 CarbonylContact C-O 3.57Å; R424-G530 WeakPolarHBondContact CA-O 3.42Å; R424-G530 WeakPolarHBondContact CB-O 3.49Å; R424-G530 PolarHBondContact N-O 3.08Å; R424-K531 HydrophobicContact CB-CB 4.13Å |
| 425 | A | 94.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.8 | -49.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T423 K427 Q428 V429 V485 I526 G530 I532 | T423-A425 PolarHBondContact O-N 3.43Å; A425-K427 VanDerWaalsContact C-N 3.34Å; A425-K427 PolarHBondContact O-N 2.86Å; A425-Q428 PolarHBondContact O-N 3.01Å; A425-V429 PolarHBondContact O-N 2.98Å; A425-V485 HydrophobicContact CB-CG1 4.38Å; A425-V485 HydrophobicContact CB-CG2 4.14Å; A425-I526 HydrophobicContact CB-CG2 4.14Å; A425-G530 PolarHBondContact N-O 2.84Å; A425-I532 HydrophobicContact CB-CG1 4.04Å |
| 426 | M | 95.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 177.2 | -175.7 | 57.3 | 74.3 | 0 | 0 | 111.3 | T423 Q428 V429 A430 I481 Q484 V485 I488 | T423-M426 PolarHBondContact O-N 2.88Å; T423-M426 WeakPolarHBondContact OG1-CB 3.49Å; T423-M426 PolarHBondContact OG1-N 2.81Å; M426-Q428 VanDerWaalsContact C-N 3.31Å; M426-Q428 PolarHBondContact O-N 3.42Å; M426-V429 WeakPolarHBondContact O-CG2 3.28Å; M426-V429 PolarHBondContact O-N 2.94Å; M426-V429 HydrophobicContact SD-CG2 4.02Å; M426-A430 HydrophobicContact CG-CB 4.32Å; M426-A430 VanDerWaalsContact O-CB 3.31Å; M426-A430 WeakPolarHBondContact O-CB 3.29Å; M426-A430 PolarHBondContact O-N 3.07Å; M426-A430 HydrophobicContact SD-CB 3.9Å; M426-I481 HydrophobicContact CB-CD1 4.35Å; M426-I481 HydrophobicContact CE-CD1 3.49Å; M426-I481 VanDerWaalsContact CE-CD1 3.49Å; M426-Q484 HydrophobicContact CE-CB 3.8Å; M426-V485 HydrophobicContact CB-CG2 4.29Å; M426-V485 HydrophobicContact CE-CG2 3.88Å; M426-V485 HydrophobicContact SD-CG2 4.44Å; M426-I488 HydrophobicContact CE-CD1 3.84Å; M426-I488 HydrophobicContact SD-CD1 3.76Å |
| 427 | K | 93.6 | Very high | 92 | Very high | 104 Ų | 104 | 46.6 Ų | 46.6 | 45% | 0.452 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.8 | -39.2 | 177.5 | -176.9 | 175.5 | 179.1 | 160.9 | 0 | 112.7 | S419 Q422 T423 R424 A425 V429 G431 | S419-K427 WeakPolarHBondContact OG-CE 3.46Å; S419-K427 PolarHBondContact OG-NZ 2.91Å; Q422-K427 HydrophobicContact CB-CB 4.41Å; T423-K427 PolarHBondContact O-N 3.21Å; R424-K427 PolarHBondContact O-N 2.87Å; A425-K427 VanDerWaalsContact C-N 3.34Å; A425-K427 PolarHBondContact O-N 2.86Å; K427-V429 VanDerWaalsContact C-N 3.32Å; K427-V429 PolarHBondContact O-N 3.37Å; K427-G431 PolarHBondContact O-N 3.36Å |
| 428 | Q | 92.7 | Very high | 91.8 | Very high | 111 Ų | 111 | 46.3 Ų | 46.3 | 52% | 0.519 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.6 | -34.7 | 178.2 | -75.4 | 170.9 | -54.1 | 0 | 0 | 112.5 | R424 A425 M426 I532 | R424-Q428 WeakPolarHBondContact O-CG 3.45Å; R424-Q428 PolarHBondContact O-N 3.43Å; A425-Q428 PolarHBondContact O-N 3.01Å; M426-Q428 VanDerWaalsContact C-N 3.31Å; M426-Q428 PolarHBondContact O-N 3.42Å; Q428-I532 PolarHBondContact NE2-O 3.07Å |
| 429 | V | 92.8 | Very high | 91.8 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 6% | 0.055 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -94.8 | -35.3 | -176.4 | -58.6 | 0 | 0 | 0 | 0 | 113.7 | A425 M426 K427 V485 I488 Y489 V492 I532 | A425-V429 PolarHBondContact O-N 2.98Å; M426-V429 WeakPolarHBondContact O-CG2 3.28Å; M426-V429 PolarHBondContact O-N 2.94Å; M426-V429 HydrophobicContact SD-CG2 4.02Å; K427-V429 VanDerWaalsContact C-N 3.32Å; K427-V429 PolarHBondContact O-N 3.37Å; V429-V485 HydrophobicContact CG1-CG1 4.26Å; V429-V485 HydrophobicContact CG2-CG1 4.32Å; V429-V485 HydrophobicContact CG2-CG2 4.45Å; V429-I488 HydrophobicContact CB-CG2 4.22Å; V429-I488 HydrophobicContact CG2-CB 4.31Å; V429-I488 HydrophobicContact CG2-CG2 3.89Å; V429-Y489 HydrophobicContact CG1-CD2 4.01Å; V429-V492 WeakPolarHBondContact O-CG1 3.33Å; V429-I532 HydrophobicContact CG1-CD1 3.35Å |
| 430 | A | 91.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -94 | -6.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | M426 T432 M433 | M426-A430 HydrophobicContact CG-CB 4.32Å; M426-A430 VanDerWaalsContact O-CB 3.31Å; M426-A430 WeakPolarHBondContact O-CB 3.29Å; M426-A430 PolarHBondContact O-N 3.07Å; M426-A430 HydrophobicContact SD-CB 3.9Å; A430-T432 VanDerWaalsContact C-N 3.31Å; A430-T432 PolarHBondContact O-N 3.45Å; A430-M433 VanDerWaalsContact O-CB 3.32Å; A430-M433 WeakPolarHBondContact O-CB 3.41Å; A430-M433 PolarHBondContact O-N 2.9Å |
| 431 | G | 88.2 | Confident | 91.6 | Very high | 57 Ų | 57 | 50 Ų | 50 | 59% | 0.588 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -37.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115 | K427 | K427-G431 PolarHBondContact O-N 3.36Š|
| 432 | T | 87.9 | Confident | 91.3 | Very high | 73 Ų | 73 | 56 Ų | 56 | 45% | 0.448 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -16.7 | 177.4 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | A430 K434 L435 E436 | A430-T432 VanDerWaalsContact C-N 3.31Å; A430-T432 PolarHBondContact O-N 3.45Å; T432-K434 PolarHBondContact O-N 3.42Å; T432-L435 PolarHBondContact O-N 3.15Å; T432-L435 VanDerWaalsContact O-N 3.15Å; T432-E436 WeakPolarHBondContact O-CG 3.33Å; T432-E436 PolarHBondContact O-N 2.96Å; T432-E436 PolarHBondContact OG1-OE1 3.46Å |
| 433 | M | 90.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.2 | -41.2 | -169.3 | -169.3 | -177.4 | -166.3 | 0 | 0 | 112.8 | L199 A430 L435 E436 L437 L467 L471 I488 V492 | L199-M433 HydrophobicContact CD2-CB 4.47Å; L199-M433 HydrophobicContact CD2-CG 4.16Å; L199-M433 HydrophobicContact CD2-SD 4.23Å; A430-M433 VanDerWaalsContact O-CB 3.32Å; A430-M433 WeakPolarHBondContact O-CB 3.41Å; A430-M433 PolarHBondContact O-N 2.9Å; M433-L435 PolarHBondContact O-N 2.96Å; M433-E436 PolarHBondContact O-N 2.8Å; M433-L437 HydrophobicContact CE-CD1 4.37Å; M433-L437 HydrophobicContact CG-CD1 4.08Å; M433-L437 WeakPolarHBondContact O-CB 3.47Å; M433-L437 WeakPolarHBondContact O-CG 3.43Å; M433-L437 PolarHBondContact O-N 3.28Å; M433-L467 HydrophobicContact CE-CB 4.33Å; M433-L467 HydrophobicContact CE-CD2 4.17Å; M433-L471 HydrophobicContact CE-CD1 3.84Å; M433-L471 HydrophobicContact CE-CD2 3.6Å; M433-L471 HydrophobicContact CE-CG 3.65Å; M433-L471 HydrophobicContact SD-CD2 4.47Å; M433-I488 HydrophobicContact SD-CG2 4.01Å; M433-V492 HydrophobicContact CB-CG2 4.09Å; M433-V492 HydrophobicContact CG-CG2 4.08Å; M433-V492 HydrophobicContact SD-CG2 4.19Å |
| 434 | K | 90.1 | Very high | 90.9 | Very high | 66 Ų | 66 | 56.1 Ų | 56.1 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 178.9 | -174.6 | 172.3 | -173.9 | 166.3 | 0 | 112 | L199 V410 S413 T432 A438 | L199-K434 HydrophobicContact CD2-CB 4.12Å; V410-K434 HydrophobicContact CG1-CG 4.05Å; S413-K434 PolarHBondContact O-NZ 2.62Å; T432-K434 PolarHBondContact O-N 3.42Å; K434-A438 WeakPolarHBondContact O-CB 3.34Å; K434-A438 PolarHBondContact O-N 2.98Å |
| 435 | L | 89.8 | Confident | 90.5 | Very high | 109 Ų | 109 | 49.8 Ų | 49.8 | 57% | 0.571 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.4 | -46 | 178.8 | -176.5 | 69.3 | 0 | 0 | 0 | 110.7 | T432 M433 L437 A438 Q439 | T432-L435 PolarHBondContact O-N 3.15Å; T432-L435 VanDerWaalsContact O-N 3.15Å; M433-L435 PolarHBondContact O-N 2.96Å; L435-L437 VanDerWaalsContact C-N 3.35Å; L435-L437 PolarHBondContact O-N 3.15Å; L435-A438 PolarHBondContact O-N 3.46Å; L435-Q439 WeakPolarHBondContact O-CG 3.3Å; L435-Q439 PolarHBondContact O-N 2.6Å |
| 436 | E | 90.8 | Very high | 90 | Very high | 35 Ų | 35 | 57.2 Ų | 57.2 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60 | -43.1 | 177.7 | -70.3 | 176.1 | -170.7 | 0 | 0 | 111.7 | T432 M433 Y440 R463 | T432-E436 WeakPolarHBondContact O-CG 3.33Å; T432-E436 PolarHBondContact O-N 2.96Å; T432-E436 PolarHBondContact OG1-OE1 3.46Å; M433-E436 PolarHBondContact O-N 2.8Å; E436-Y440 VanDerWaalsContact O-CB 3.3Å; E436-Y440 WeakPolarHBondContact O-CB 3.25Å; E436-Y440 PolarHBondContact O-N 2.91Å; E436-R463 VanDerWaalsContact CD-NH2 3.26Å; E436-R463 IonicContact OE1-CZ 2.73Å; E436-R463 IonicContact OE1-NH1 2.82Å; E436-R463 PolarHBondContact OE1-NH1 2.8Å; E436-R463 IonicContact OE1-NH2 3.47Å; E436-R463 PolarHBondContact OE1-NH2 3.45Å; E436-R463 IonicContact OE2-CZ 3.09Å; E436-R463 IonicContact OE2-NE 3.25Å; E436-R463 IonicContact OE2-NH1 3.04Å; E436-R463 IonicContact OE2-NH2 3.25Å; E436-R463 PolarHBondContact OE2-NH2 3.09Å |
| 437 | L | 92.6 | Very high | 89.5 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.4 | -31.8 | 177.1 | -75 | 173.3 | 0 | 0 | 0 | 113.3 | L199 V410 M433 L435 Y440 R441 L467 L471 | L199-L437 HydrophobicContact CD1-CD1 4.18Å; L199-L437 HydrophobicContact CD2-CD1 4Å; V410-L437 HydrophobicContact CG1-CB 4.02Å; V410-L437 HydrophobicContact CG2-CB 4.49Å; V410-L437 HydrophobicContact CG2-CD1 4.36Å; M433-L437 HydrophobicContact CE-CD1 4.37Å; M433-L437 HydrophobicContact CG-CD1 4.08Å; M433-L437 WeakPolarHBondContact O-CB 3.47Å; M433-L437 WeakPolarHBondContact O-CG 3.43Å; M433-L437 PolarHBondContact O-N 3.28Å; L435-L437 VanDerWaalsContact C-N 3.35Å; L435-L437 PolarHBondContact O-N 3.15Å; L437-Y440 HydrophobicContact CD2-CD1 4.48Å; L437-R441 PolarHBondContact O-N 2.92Å; L437-R441 VanDerWaalsContact O-N 3.14Å; L437-L467 HydrophobicContact CD2-CB 3.81Å; L437-L467 HydrophobicContact CG-CB 4.45Å; L437-L471 HydrophobicContact CD1-CD1 3.61Å |
| 438 | A | 90.4 | Very high | 88.9 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 26% | 0.256 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.4 | -49.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | K434 L435 Y440 R441 E442 | K434-A438 WeakPolarHBondContact O-CB 3.34Å; K434-A438 PolarHBondContact O-N 2.98Å; L435-A438 PolarHBondContact O-N 3.46Å; A438-Y440 VanDerWaalsContact C-N 3.31Å; A438-Y440 PolarHBondContact O-N 2.93Å; A438-R441 PolarHBondContact O-N 3.25Å; A438-R441 VanDerWaalsContact O-N 3.12Å; A438-E442 PolarHBondContact O-N 3.02Å; A438-E442 VanDerWaalsContact O-N 3.12Å |
| 439 | Q | 90.7 | Very high | 88.4 | Confident | 81 Ų | 81 | 63.9 Ų | 63.9 | 38% | 0.379 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 174.9 | -71.4 | 175.8 | -13.6 | 0 | 0 | 111.5 | L435 R441 E442 V443 L460 | L435-Q439 WeakPolarHBondContact O-CG 3.3Å; L435-Q439 PolarHBondContact O-N 2.6Å; Q439-R441 VanDerWaalsContact C-N 3.3Å; Q439-R441 PolarHBondContact O-N 2.64Å; Q439-E442 PolarHBondContact O-N 2.9Å; Q439-V443 WeakPolarHBondContact O-CB 3.46Å; Q439-V443 WeakPolarHBondContact O-CG2 3.3Å; Q439-V443 PolarHBondContact O-N 2.87Å; Q439-L460 HydrophobicContact CB-CD1 4.04Å; Q439-L460 HydrophobicContact CB-CD2 4.33Å |
| 440 | Y | 92 | Very high | 87.5 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54 | -46 | 174.2 | 163.7 | -112.9 | 0 | 0 | 0 | 111.9 | E436 L437 A438 V443 A444 L461 V465 | E436-Y440 VanDerWaalsContact O-CB 3.3Å; E436-Y440 WeakPolarHBondContact O-CB 3.25Å; E436-Y440 PolarHBondContact O-N 2.91Å; L437-Y440 HydrophobicContact CD2-CD1 4.48Å; A438-Y440 VanDerWaalsContact C-N 3.31Å; A438-Y440 PolarHBondContact O-N 2.93Å; Y440-V443 PolarHBondContact O-N 2.86Å; Y440-A444 HydrophobicContact CD2-CB 4.4Å; Y440-A444 HydrophobicContact CE2-CB 4.05Å; Y440-A444 WeakPolarHBondContact O-CB 3.38Å; Y440-A444 PolarHBondContact O-N 2.93Å; Y440-L461 HydrophobicContact CD2-CD2 3.93Å; Y440-L461 HydrophobicContact CE2-CD2 3.92Å; Y440-V465 HydrophobicContact CE2-CG2 3.93Å; Y440-V465 WeakPolarHBondContact OH-CG2 3.42Å |
| 441 | R | 88.1 | Confident | 86.6 | Confident | 71 Ų | 71 | 70.6 Ų | 70.6 | 27% | 0.268 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | -179.9 | -80.6 | -168.2 | 178.5 | -147 | -1.6 | 112.8 | E396 I408 N409 L437 A438 Q439 A444 A445 | E396-R441 IonicContact OE2-NH1 3.66Å; E396-R441 PolarHBondContact OE2-NH1 2.82Å; I408-R441 PolarHBondContact O-NH2 3.06Å; N409-R441 PolarHBondContact ND2-NH1 3.14Å; N409-R441 PolarHBondContact OD1-NH1 3.22Å; L437-R441 PolarHBondContact O-N 2.92Å; L437-R441 VanDerWaalsContact O-N 3.14Å; A438-R441 PolarHBondContact O-N 3.25Å; A438-R441 VanDerWaalsContact O-N 3.12Å; Q439-R441 VanDerWaalsContact C-N 3.3Å; Q439-R441 PolarHBondContact O-N 2.64Å; R441-A444 PolarHBondContact O-N 2.75Å; R441-A445 PolarHBondContact O-N 2.81Å |
| 442 | E | 86.6 | Confident | 86.3 | Confident | 129 Ų | 129 | 75.1 Ų | 75.1 | 60% | 0.603 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59 | -51.2 | 177.5 | -70.2 | 179.2 | 174.5 | 0 | 0 | 110 | A438 Q439 A444 A445 F446 | A438-E442 PolarHBondContact O-N 3.02Å; A438-E442 VanDerWaalsContact O-N 3.12Å; Q439-E442 PolarHBondContact O-N 2.9Å; E442-A444 PolarHBondContact O-N 3.46Å; E442-A445 PolarHBondContact O-N 3.26Å; E442-F446 WeakPolarHBondContact O-CD2 3.34Å |
| 443 | V | 89.5 | Confident | 86.2 | Confident | 37 Ų | 37 | 74.1 Ų | 74.1 | 22% | 0.224 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.3 | -35.9 | -177.9 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | Q439 Y440 A445 F446 A447 T457 L460 L461 | Q439-V443 WeakPolarHBondContact O-CB 3.46Å; Q439-V443 WeakPolarHBondContact O-CG2 3.3Å; Q439-V443 PolarHBondContact O-N 2.87Å; Y440-V443 PolarHBondContact O-N 2.86Å; V443-A445 PolarHBondContact O-N 3.44Å; V443-F446 PolarHBondContact O-N 3.27Å; V443-F446 VanDerWaalsContact O-N 3.1Å; V443-A447 WeakPolarHBondContact O-CB 3.49Å; V443-A447 PolarHBondContact O-N 2.96Å; V443-T457 HydrophobicContact CG1-CG2 3.55Å; V443-L460 HydrophobicContact CB-CD2 3.7Å; V443-L460 HydrophobicContact CG1-CD2 4Å; V443-L460 HydrophobicContact CG2-CD2 3.58Å; V443-L461 HydrophobicContact CB-CD2 4.48Å; V443-L461 HydrophobicContact CG1-CD1 4.48Å; V443-L461 HydrophobicContact CG1-CD2 4.03Å; V443-L461 HydrophobicContact CG1-CG 4.16Å |
| 444 | A | 87.7 | Confident | 86.1 | Confident | 23 Ų | 23 | 78.5 Ų | 78.5 | 19% | 0.19 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63 | -31 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y440 R441 E442 L461 | Y440-A444 HydrophobicContact CD2-CB 4.4Å; Y440-A444 HydrophobicContact CE2-CB 4.05Å; Y440-A444 WeakPolarHBondContact O-CB 3.38Å; Y440-A444 PolarHBondContact O-N 2.93Å; R441-A444 PolarHBondContact O-N 2.75Å; E442-A444 PolarHBondContact O-N 3.46Å; A444-L461 HydrophobicContact CB-CD2 3.91Å |
| 445 | A | 84.4 | Confident | 86.1 | Confident | 53 Ų | 53 | 79 Ų | 79 | 44% | 0.438 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R441 E442 V443 F449 | R441-A445 PolarHBondContact O-N 2.81Å; E442-A445 PolarHBondContact O-N 3.26Å; V443-A445 PolarHBondContact O-N 3.44Å; A445-F449 WeakPolarHBondContact O-CD2 3.28Å; A445-F449 WeakPolarHBondContact O-CE2 3.22Å |
| 446 | F | 83.5 | Confident | 86.1 | Confident | 159 Ų | 159 | 77 Ų | 77 | 70% | 0.697 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -76.1 | -36.7 | 177.8 | -67.7 | -71.4 | 0 | 0 | 0 | 113.2 | E442 V443 Q448 F449 | E442-F446 WeakPolarHBondContact O-CD2 3.34Å; V443-F446 PolarHBondContact O-N 3.27Å; V443-F446 VanDerWaalsContact O-N 3.1Å; F446-Q448 PolarHBondContact O-N 3.49Å; F446-Q448 VanDerWaalsContact O-N 3.11Å; F446-F449 PolarHBondContact O-N 2.69Å |
| 447 | A | 86 | Confident | 86 | Confident | 23 Ų | 23 | 76.9 Ų | 76.9 | 19% | 0.19 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63 | -18.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V443 F449 L453 L461 | V443-A447 WeakPolarHBondContact O-CB 3.49Å; V443-A447 PolarHBondContact O-N 2.96Å; A447-F449 PolarHBondContact O-N 3.34Å; A447-L453 HydrophobicContact CB-CD1 4.04Å; A447-L453 HydrophobicContact CB-CD2 4.29Å; A447-L461 HydrophobicContact CB-CD1 3.67Å; A447-L461 HydrophobicContact CB-CD2 4.39Å |
| 448 | Q | 81.3 | Confident | 85.8 | Confident | 154 Ų | 154 | 82 Ų | 82 | 72% | 0.72 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -19.1 | 172.8 | -69.3 | 179.4 | 4.8 | 0 | 0 | 113.3 | F446 | F446-Q448 PolarHBondContact O-N 3.49Å; F446-Q448 VanDerWaalsContact O-N 3.11Å |
| 449 | F | 80.9 | Confident | 85.8 | Confident | 178 Ų | 178 | 86.2 Ų | 86.2 | 78% | 0.781 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | -9 | -175.3 | -57.8 | -77.9 | 0 | 0 | 0 | 113.9 | A445 F446 A447 | A445-F449 WeakPolarHBondContact O-CD2 3.28Å; A445-F449 WeakPolarHBondContact O-CE2 3.22Å; F446-F449 PolarHBondContact O-N 2.69Å; A447-F449 PolarHBondContact O-N 3.34Å |
| 450 | G | 74.5 | Confident | 85.8 | Confident | 40 Ų | 40 | 84.5 Ų | 84.5 | 41% | 0.412 | 47% | 0.466 | S | S | . | . | trans | -100.6 | 136.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 451 | S | 73.3 | Confident | 85.8 | Confident | 116 Ų | 116 | 83.6 Ų | 83.6 | 81% | 0.811 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -84.8 | -35.5 | 175.8 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 452 | D | 81.4 | Confident | 85.9 | Confident | 151 Ų | 151 | 82.3 Ų | 82.3 | 81% | 0.807 | 47% | 0.466 | S | S | * | . | trans | -119.7 | 120.8 | 179.7 | -74.2 | -42.2 | 0 | 0 | 0 | 110.3 | ||||
| 453 | L | 85.5 | Confident | 86.2 | Confident | 53 Ų | 53 | 78.9 Ų | 78.9 | 28% | 0.277 | 45% | 0.447 | S | S | . | . | trans | -110.4 | 133.9 | 176 | -59.7 | 174.4 | 0 | 0 | 0 | 108.5 | A447 T457 Q458 L461 | A447-L453 HydrophobicContact CB-CD1 4.04Å; A447-L453 HydrophobicContact CB-CD2 4.29Å; L453-T457 HydrophobicContact CB-CG2 4.07Å; L453-T457 HydrophobicContact CD1-CG2 4.33Å; L453-T457 HydrophobicContact CD2-CG2 3.9Å; L453-T457 HydrophobicContact CG-CG2 4.32Å; L453-Q458 HydrophobicContact CB-CG 3.83Å; L453-Q458 PolarHBondContact O-NE2 3.17Å; L453-L461 HydrophobicContact CD1-CD1 3.58Å | ||
| 454 | D | 89.4 | Confident | 86.3 | Confident | 92 Ų | 92 | 77.3 Ų | 77.3 | 49% | 0.492 | 44% | 0.438 | S | S | . | . | trans | -64.3 | 159.3 | 173 | 70 | -79.5 | 0 | 0 | 0 | 111.4 | A456 T457 Q458 | D454-A456 VanDerWaalsContact C-N 3.26Å; D454-A456 PolarHBondContact O-N 2.89Å; D454-A456 WeakPolarHBondContact OD2-CB 3.48Å; D454-A456 PolarHBondContact OD2-N 3.3Å; D454-T457 PolarHBondContact O-N 3.08Å; D454-T457 VanDerWaalsContact O-N 3.16Å; D454-T457 WeakPolarHBondContact OD1-CB 3.34Å; D454-T457 PolarHBondContact OD1-OG1 2.7Å; D454-T457 PolarHBondContact OD2-N 2.85Å; D454-Q458 WeakPolarHBondContact O-CG 3.39Å; D454-Q458 PolarHBondContact O-N 3.26Å | ||
| 455 | A | 89.1 | Confident | 86.6 | Confident | 77 Ų | 77 | 78.4 Ų | 78.4 | 64% | 0.636 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -59.5 | -33.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q458 Q459 | A455-Q458 PolarHBondContact O-N 3.45Å; A455-Q459 WeakPolarHBondContact O-CB 3.42Å; A455-Q459 PolarHBondContact O-N 3.43Å |
| 456 | A | 89.8 | Confident | 87.1 | Confident | 66 Ų | 66 | 77.3 Ų | 77.3 | 55% | 0.545 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -71.1 | -42.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D454 Q459 L460 | D454-A456 VanDerWaalsContact C-N 3.26Å; D454-A456 PolarHBondContact O-N 2.89Å; D454-A456 WeakPolarHBondContact OD2-CB 3.48Å; D454-A456 PolarHBondContact OD2-N 3.3Å; A456-Q459 PolarHBondContact O-N 2.87Å; A456-L460 WeakPolarHBondContact O-CB 3.43Å; A456-L460 PolarHBondContact O-N 2.76Å |
| 457 | T | 89.4 | Confident | 87.6 | Confident | 32 Ų | 32 | 69.8 Ų | 69.8 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 172.9 | -66.2 | 0 | 0 | 0 | 0 | 112 | V443 L453 D454 Q459 L460 L461 | V443-T457 HydrophobicContact CG1-CG2 3.55Å; L453-T457 HydrophobicContact CB-CG2 4.07Å; L453-T457 HydrophobicContact CD1-CG2 4.33Å; L453-T457 HydrophobicContact CD2-CG2 3.9Å; L453-T457 HydrophobicContact CG-CG2 4.32Å; D454-T457 PolarHBondContact O-N 3.08Å; D454-T457 VanDerWaalsContact O-N 3.16Å; D454-T457 WeakPolarHBondContact OD1-CB 3.34Å; D454-T457 PolarHBondContact OD1-OG1 2.7Å; D454-T457 PolarHBondContact OD2-N 2.85Å; T457-Q459 PolarHBondContact O-N 3.33Å; T457-L460 PolarHBondContact O-N 3.27Å; T457-L461 HydrophobicContact CG2-CD1 4.11Å; T457-L461 WeakPolarHBondContact O-CG 3.31Å; T457-L461 PolarHBondContact O-N 3.26Å |
| 458 | Q | 88.4 | Confident | 88 | Confident | 110 Ų | 110 | 70 Ų | 70 | 51% | 0.514 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 175.6 | -69 | -178.5 | 10.9 | 0 | 0 | 111.8 | L453 D454 A455 L461 S462 | L453-Q458 HydrophobicContact CB-CG 3.83Å; L453-Q458 PolarHBondContact O-NE2 3.17Å; D454-Q458 WeakPolarHBondContact O-CG 3.39Å; D454-Q458 PolarHBondContact O-N 3.26Å; A455-Q458 PolarHBondContact O-N 3.45Å; Q458-L461 PolarHBondContact O-N 3.49Å; Q458-S462 WeakPolarHBondContact O-CB 3.32Å; Q458-S462 PolarHBondContact O-N 2.75Å |
| 459 | Q | 89.6 | Confident | 88.6 | Confident | 120 Ų | 120 | 64.5 Ų | 64.5 | 56% | 0.561 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.2 | -42.1 | 177.9 | -171.6 | 177.4 | 2.3 | 0 | 0 | 111.8 | A455 A456 T457 S462 R463 | A455-Q459 WeakPolarHBondContact O-CB 3.42Å; A455-Q459 PolarHBondContact O-N 3.43Å; A456-Q459 PolarHBondContact O-N 2.87Å; T457-Q459 PolarHBondContact O-N 3.33Å; Q459-S462 PolarHBondContact O-N 3.06Å; Q459-R463 WeakPolarHBondContact O-CB 3.45Å; Q459-R463 PolarHBondContact O-N 3.45Å |
| 460 | L | 90.9 | Very high | 89.3 | Confident | 45 Ų | 45 | 56 Ų | 56 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 176.1 | -174.4 | 100.6 | 0 | 0 | 0 | 111.5 | Q439 V443 A456 T457 R463 G464 | Q439-L460 HydrophobicContact CB-CD1 4.04Å; Q439-L460 HydrophobicContact CB-CD2 4.33Å; V443-L460 HydrophobicContact CB-CD2 3.7Å; V443-L460 HydrophobicContact CG1-CD2 4Å; V443-L460 HydrophobicContact CG2-CD2 3.58Å; A456-L460 WeakPolarHBondContact O-CB 3.43Å; A456-L460 PolarHBondContact O-N 2.76Å; T457-L460 PolarHBondContact O-N 3.27Å; L460-R463 PolarHBondContact O-N 3.18Å; L460-G464 PolarHBondContact O-N 2.72Å |
| 461 | L | 91.9 | Very high | 90.3 | Very high | 27 Ų | 27 | 54.9 Ų | 54.9 | 14% | 0.141 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 177.2 | -70.6 | 172.6 | 0 | 0 | 0 | 111.8 | Y440 V443 A444 A447 L453 T457 Q458 R463 G464 V465 | Y440-L461 HydrophobicContact CD2-CD2 3.93Å; Y440-L461 HydrophobicContact CE2-CD2 3.92Å; V443-L461 HydrophobicContact CB-CD2 4.48Å; V443-L461 HydrophobicContact CG1-CD1 4.48Å; V443-L461 HydrophobicContact CG1-CD2 4.03Å; V443-L461 HydrophobicContact CG1-CG 4.16Å; A444-L461 HydrophobicContact CB-CD2 3.91Å; A447-L461 HydrophobicContact CB-CD1 3.67Å; A447-L461 HydrophobicContact CB-CD2 4.39Å; L453-L461 HydrophobicContact CD1-CD1 3.58Å; T457-L461 HydrophobicContact CG2-CD1 4.11Å; T457-L461 WeakPolarHBondContact O-CG 3.31Å; T457-L461 PolarHBondContact O-N 3.26Å; Q458-L461 PolarHBondContact O-N 3.49Å; L461-R463 VanDerWaalsContact C-N 3.35Å; L461-R463 PolarHBondContact O-N 3.07Å; L461-G464 PolarHBondContact O-N 3.31Å; L461-V465 WeakPolarHBondContact O-CG2 3.41Å; L461-V465 PolarHBondContact O-N 3.33Å |
| 462 | S | 91.2 | Very high | 91.4 | Very high | 44 Ų | 44 | 51.5 Ų | 51.5 | 31% | 0.308 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.1 | -47.4 | 178.7 | -171.4 | 0 | 0 | 0 | 0 | 111.1 | Q458 Q459 R466 | Q458-S462 WeakPolarHBondContact O-CB 3.32Å; Q458-S462 PolarHBondContact O-N 2.75Å; Q459-S462 PolarHBondContact O-N 3.06Å; S462-R466 VanDerWaalsContact C-NH1 3.3Å; S462-R466 PolarHBondContact O-N 3.35Å; S462-R466 PolarHBondContact O-NH1 2.87Å; S462-R466 PolarHBondContact OG-NH1 3.43Å |
| 463 | R | 91.5 | Very high | 92 | Very high | 57 Ų | 57 | 45.5 Ų | 45.5 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.6 | -42.9 | 178.8 | -169 | 160.6 | 171.1 | -135.5 | -10 | 112.1 | E436 Q459 L460 L461 V465 R466 L467 V492 | E436-R463 VanDerWaalsContact CD-NH2 3.26Å; E436-R463 IonicContact OE1-CZ 2.73Å; E436-R463 IonicContact OE1-NH1 2.82Å; E436-R463 PolarHBondContact OE1-NH1 2.8Å; E436-R463 IonicContact OE1-NH2 3.47Å; E436-R463 PolarHBondContact OE1-NH2 3.45Å; E436-R463 IonicContact OE2-CZ 3.09Å; E436-R463 IonicContact OE2-NE 3.25Å; E436-R463 IonicContact OE2-NH1 3.04Å; E436-R463 IonicContact OE2-NH2 3.25Å; E436-R463 PolarHBondContact OE2-NH2 3.09Å; Q459-R463 WeakPolarHBondContact O-CB 3.45Å; Q459-R463 PolarHBondContact O-N 3.45Å; L460-R463 PolarHBondContact O-N 3.18Å; L461-R463 VanDerWaalsContact C-N 3.35Å; L461-R463 PolarHBondContact O-N 3.07Å; R463-V465 VanDerWaalsContact C-N 3.34Å; R463-V465 PolarHBondContact O-N 2.79Å; R463-R466 PolarHBondContact O-N 2.83Å; R463-R466 VanDerWaalsContact O-N 3.14Å; R463-L467 HydrophobicContact CG-CD1 4.18Å; R463-L467 HydrophobicContact CG-CG 4.35Å; R463-L467 WeakPolarHBondContact O-CG 3.4Å; R463-L467 PolarHBondContact O-N 2.85Å; R463-V492 PolarHBondContact NH2-O 3.33Å |
| 464 | G | 93.2 | Very high | 92.4 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -39.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L460 L461 T468 | L460-G464 PolarHBondContact O-N 2.72Å; L461-G464 PolarHBondContact O-N 3.31Å; G464-T468 WeakPolarHBondContact O-CB 3.17Å; G464-T468 PolarHBondContact O-N 2.81Å; G464-T468 PolarHBondContact O-OG1 3.01Å |
| 465 | V | 93.3 | Very high | 92.5 | Very high | 46 Ų | 46 | 45.3 Ų | 45.3 | 28% | 0.279 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 173.7 | 171.3 | 0 | 0 | 0 | 0 | 111 | Y440 L461 R463 T468 E469 P501 | Y440-V465 HydrophobicContact CE2-CG2 3.93Å; Y440-V465 WeakPolarHBondContact OH-CG2 3.42Å; L461-V465 WeakPolarHBondContact O-CG2 3.41Å; L461-V465 PolarHBondContact O-N 3.33Å; R463-V465 VanDerWaalsContact C-N 3.34Å; R463-V465 PolarHBondContact O-N 2.79Å; V465-T468 WeakPolarHBondContact O-CB 3.48Å; V465-T468 PolarHBondContact O-N 2.96Å; V465-E469 WeakPolarHBondContact O-CG 3.38Å; V465-E469 PolarHBondContact O-N 3.45Å; V465-P501 HydrophobicContact CG1-CB 3.78Å; V465-P501 HydrophobicContact CG1-CG 3.7Å |
| 466 | R | 94.8 | Very high | 92.7 | Very high | 30 Ų | 30 | 45.5 Ų | 45.5 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.4 | -41.6 | -179.1 | -70 | 170.2 | 176.2 | 79.6 | -5.3 | 112.7 | S462 R463 T468 E469 L470 L496 D497 L499 I504 | S462-R466 VanDerWaalsContact C-NH1 3.3Å; S462-R466 PolarHBondContact O-N 3.35Å; S462-R466 PolarHBondContact O-NH1 2.87Å; S462-R466 PolarHBondContact OG-NH1 3.43Å; R463-R466 PolarHBondContact O-N 2.83Å; R463-R466 VanDerWaalsContact O-N 3.14Å; R466-T468 VanDerWaalsContact C-N 3.28Å; R466-T468 PolarHBondContact O-N 2.89Å; R466-E469 PolarHBondContact O-N 2.94Å; R466-L470 VanDerWaalsContact O-CB 3.31Å; R466-L470 WeakPolarHBondContact O-CB 3.07Å; R466-L470 PolarHBondContact O-N 3.49Å; R466-L496 WeakPolarHBondContact CD-O 3.47Å; R466-L496 PolarHBondContact NE-O 3.45Å; R466-L496 VanDerWaalsContact NE-O 3.12Å; R466-D497 PolarHBondContact NE-O 3.05Å; R466-D497 PolarHBondContact NH2-O 3.47Å; R466-L499 PolarHBondContact NE-O 2.66Å; R466-L499 PolarHBondContact NH2-O 3.38Å; R466-I504 HydrophobicContact CB-CD1 4.36Å; R466-I504 HydrophobicContact CB-CG1 4.49Å; R466-I504 HydrophobicContact CG-CD1 4.18Å; R466-I504 HydrophobicContact CG-CG1 4.32Å |
| 467 | L | 94.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -37.3 | 174.1 | -66.2 | 178 | 0 | 0 | 0 | 111.2 | M433 L437 R463 L470 L471 V492 | M433-L467 HydrophobicContact CE-CB 4.33Å; M433-L467 HydrophobicContact CE-CD2 4.17Å; L437-L467 HydrophobicContact CD2-CB 3.81Å; L437-L467 HydrophobicContact CG-CB 4.45Å; R463-L467 HydrophobicContact CG-CD1 4.18Å; R463-L467 HydrophobicContact CG-CG 4.35Å; R463-L467 WeakPolarHBondContact O-CG 3.4Å; R463-L467 PolarHBondContact O-N 2.85Å; L467-L470 HydrophobicContact CD2-CD2 4.45Å; L467-L470 PolarHBondContact O-N 3.19Å; L467-L471 WeakPolarHBondContact O-CG 3.28Å; L467-L471 PolarHBondContact O-N 3.12Å; L467-L471 VanDerWaalsContact O-N 3.08Å; L467-V492 HydrophobicContact CD2-CG2 4.29Å |
| 468 | T | 94.1 | Very high | 93.1 | Very high | 26 Ų | 26 | 45.8 Ų | 45.8 | 16% | 0.16 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 175.2 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | I404 G464 V465 R466 L471 | I404-T468 HydrophobicContact CD1-CG2 3.69Å; I404-T468 HydrophobicContact CG1-CG2 4.05Å; I404-T468 HydrophobicContact CG2-CG2 4.45Å; G464-T468 WeakPolarHBondContact O-CB 3.17Å; G464-T468 PolarHBondContact O-N 2.81Å; G464-T468 PolarHBondContact O-OG1 3.01Å; V465-T468 WeakPolarHBondContact O-CB 3.48Å; V465-T468 PolarHBondContact O-N 2.96Å; R466-T468 VanDerWaalsContact C-N 3.28Å; R466-T468 PolarHBondContact O-N 2.89Å; T468-L471 PolarHBondContact O-N 3.2Å |
| 469 | E | 94.8 | Very high | 93.4 | Very high | 39 Ų | 39 | 41.3 Ų | 41.3 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 174 | -71.2 | -59.6 | 138.3 | 0 | 0 | 112.1 | V465 R466 L471 K472 P501 I504 | V465-E469 WeakPolarHBondContact O-CG 3.38Å; V465-E469 PolarHBondContact O-N 3.45Å; R466-E469 PolarHBondContact O-N 2.94Å; E469-L471 PolarHBondContact O-N 3.3Å; E469-K472 WeakPolarHBondContact O-CB 3.46Å; E469-K472 PolarHBondContact O-N 3.25Å; E469-K472 VanDerWaalsContact O-N 3.13Å; E469-K472 VanDerWaalsContact OE1-CE 3.3Å; E469-K472 WeakPolarHBondContact OE1-CE 3.37Å; E469-K472 IonicContact OE1-NZ 3.57Å; E469-K472 PolarHBondContact OE1-NZ 3.02Å; E469-K472 WeakPolarHBondContact OE2-CD 3.48Å; E469-K472 WeakPolarHBondContact OE2-CE 3.42Å; E469-K472 IonicContact OE2-NZ 3.46Å; E469-K472 PolarHBondContact OE2-NZ 2.89Å; E469-P501 HydrophobicContact CG-CB 4.26Å; E469-I504 HydrophobicContact CB-CB 3.99Å; E469-I504 HydrophobicContact CB-CG1 4.34Å; E469-I504 HydrophobicContact CB-CG2 4.02Å |
| 470 | L | 95.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.1 | -28.7 | 178.2 | -169.6 | 69.6 | 0 | 0 | 0 | 112.8 | K194 R466 L467 K472 V487 L496 I504 | K194-L470 WeakPolarHBondContact CE-O 3.34Å; K194-L470 PolarHBondContact NZ-O 3.29Å; R466-L470 VanDerWaalsContact O-CB 3.31Å; R466-L470 WeakPolarHBondContact O-CB 3.07Å; R466-L470 PolarHBondContact O-N 3.49Å; L467-L470 HydrophobicContact CD2-CD2 4.45Å; L467-L470 PolarHBondContact O-N 3.19Å; L470-K472 VanDerWaalsContact C-N 3.3Å; L470-V487 HydrophobicContact CD1-CG1 3.42Å; L470-V487 VanDerWaalsContact CD1-CG1 3.42Å; L470-V487 HydrophobicContact CD2-CG1 4.37Å; L470-V487 HydrophobicContact CG-CG1 3.89Å; L470-L496 HydrophobicContact CD1-CD1 3.9Å; L470-L496 HydrophobicContact CD2-CD1 4.27Å; L470-I504 HydrophobicContact CB-CG2 4.07Å; L470-I504 HydrophobicContact CD1-CG2 4.01Å |
| 471 | L | 95.2 | Very high | 93.9 | Very high | 15 Ų | 15 | 34.4 Ų | 34.4 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -8.3 | 178.4 | -74.3 | -179.5 | 0 | 0 | 0 | 113.7 | K194 A195 L199 M433 L437 L467 T468 E469 | K194-L471 HydrophobicContact CB-CD2 4.17Å; A195-L471 HydrophobicContact CB-CB 4.39Å; A195-L471 HydrophobicContact CB-CD2 4.28Å; L199-L471 HydrophobicContact CD1-CD1 3.73Å; L199-L471 HydrophobicContact CG-CD1 4.45Å; M433-L471 HydrophobicContact CE-CD1 3.84Å; M433-L471 HydrophobicContact CE-CD2 3.6Å; M433-L471 HydrophobicContact CE-CG 3.65Å; M433-L471 HydrophobicContact SD-CD2 4.47Å; L437-L471 HydrophobicContact CD1-CD1 3.61Å; L467-L471 WeakPolarHBondContact O-CG 3.28Å; L467-L471 PolarHBondContact O-N 3.12Å; L467-L471 VanDerWaalsContact O-N 3.08Å; T468-L471 PolarHBondContact O-N 3.2Å; E469-L471 PolarHBondContact O-N 3.3Å |
| 472 | K | 95.6 | Very high | 94 | Very high | 45 Ų | 45 | 33.5 Ų | 33.5 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | trans | -64.6 | 140.2 | 174.3 | -67 | -178.8 | -178.3 | 171.8 | 0 | 110.2 | K194 G403 R405 E469 L470 | K194-K472 WeakPolarHBondContact CE-O 3.47Å; K194-K472 PolarHBondContact NZ-O 2.87Å; G403-K472 VanDerWaalsContact O-CE 3.31Å; G403-K472 WeakPolarHBondContact O-CE 3.39Å; R405-K472 CarbonylContact O-C 3.34Å; R405-K472 VanDerWaalsContact O-CA 3.31Å; R405-K472 WeakPolarHBondContact O-CA 3.36Å; E469-K472 WeakPolarHBondContact O-CB 3.46Å; E469-K472 PolarHBondContact O-N 3.25Å; E469-K472 VanDerWaalsContact O-N 3.13Å; E469-K472 VanDerWaalsContact OE1-CE 3.3Å; E469-K472 WeakPolarHBondContact OE1-CE 3.37Å; E469-K472 IonicContact OE1-NZ 3.57Å; E469-K472 PolarHBondContact OE1-NZ 3.02Å; E469-K472 WeakPolarHBondContact OE2-CD 3.48Å; E469-K472 WeakPolarHBondContact OE2-CE 3.42Å; E469-K472 IonicContact OE2-NZ 3.46Å; E469-K472 PolarHBondContact OE2-NZ 2.89Å; L470-K472 VanDerWaalsContact C-N 3.3Å | ||
| 473 | Q | 95.4 | Very high | 94.2 | Very high | 25 Ų | 25 | 33.4 Ų | 33.4 | 12% | 0.117 | 18% | 0.18 | C | C | . | . | trans | -149.6 | 136.6 | -179.9 | -167.6 | 172.1 | -23.6 | 0 | 0 | 109.9 | G192 R405 S477 | G192-Q473 PolarHBondContact O-NE2 3.45Å; R405-Q473 PolarHBondContact O-N 2.91Å; Q473-S477 PolarHBondContact NE2-O 2.96Å | ||
| 474 | G | 93 | Very high | 94.4 | Very high | 50 Ų | 50 | 30.7 Ų | 30.7 | 52% | 0.515 | 17% | 0.17 | S | C | . | . | trans | -66.7 | 152.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 475 | Q | 91.9 | Very high | 94.6 | Very high | 92 Ų | 92 | 30.6 Ų | 30.6 | 43% | 0.43 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 147.6 | 174 | -62.4 | -179.5 | 0.6 | 0 | 0 | 110.5 | S477 | Q475-S477 PolarHBondContact O-N 2.9Š|
| 476 | Y | 92.7 | Very high | 94.7 | Very high | 80 Ų | 80 | 28.5 Ų | 28.5 | 31% | 0.314 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 20.2 | 177.5 | -39.8 | -55.9 | 0 | 0 | 0 | 114.5 | I223 D224 I227 R262 P478 | I223-Y476 HydrophobicContact CB-CE1 4.22Å; I223-Y476 HydrophobicContact CD1-CE1 4.35Å; I223-Y476 HydrophobicContact CG2-CD1 3.91Å; I223-Y476 HydrophobicContact CG2-CE1 3.75Å; D224-Y476 VanDerWaalsContact CG-N 3.35Å; D224-Y476 WeakPolarHBondContact OD1-CA 3.23Å; D224-Y476 WeakPolarHBondContact OD1-CD1 3.34Å; D224-Y476 PolarHBondContact OD1-N 2.79Å; D224-Y476 PolarHBondContact OD2-N 2.94Å; I227-Y476 HydrophobicContact CD1-CD1 4.06Å; R262-Y476 PolarHBondContact NH1-OH 3.22Å; Y476-P478 WeakPolarHBondContact O-CD 3.5Å |
| 477 | S | 92.9 | Very high | 94.7 | Very high | 77 Ų | 77 | 27 Ų | 27 | 54% | 0.538 | 15% | 0.15 | S | C | . | . | trans | -124.1 | 67.8 | 176.4 | -166.3 | 0 | 0 | 0 | 0 | 110.5 | Q473 Q475 | Q473-S477 PolarHBondContact NE2-O 2.96Å; Q475-S477 PolarHBondContact O-N 2.9Å | ||
| 478 | P | 95.6 | Very high | 94.7 | Very high | 27 Ų | 27 | 27 Ų | 27 | 18% | 0.175 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 135.2 | 179.3 | 29.1 | -33.7 | 0 | 0 | 0 | 111.5 | G192 I227 N228 R231 Y476 | G192-P478 WeakPolarHBondContact O-CA 3.2Å; I227-P478 HydrophobicContact CB-CG 4.32Å; I227-P478 HydrophobicContact CG2-CG 3.81Å; N228-P478 HydrophobicContact CB-CB 3.77Å; N228-P478 HydrophobicContact CB-CG 4.26Å; R231-P478 PolarHBondContact NH2-O 3.14Å; Y476-P478 WeakPolarHBondContact O-CD 3.5Å |
| 479 | M | 95.2 | Very high | 94.8 | Very high | 16 Ų | 16 | 25.8 Ų | 25.8 | 8% | 0.079 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -99.7 | 143 | -174.5 | -173.8 | -178.3 | -64.7 | 0 | 0 | 111.8 | G192 K194 E483 Q484 V487 E508 L512 | G192-M479 WeakPolarHBondContact CA-O 3.4Å; G192-M479 PolarHBondContact O-N 3.37Å; K194-M479 HydrophobicContact CD-CE 3.91Å; K194-M479 HydrophobicContact CD-SD 4.02Å; K194-M479 HydrophobicContact CG-CE 4.4Å; K194-M479 HydrophobicContact CG-SD 4.09Å; M479-E483 HydrophobicContact CG-CB 3.54Å; M479-E483 WeakPolarHBondContact CG-OE2 3.44Å; M479-E483 HydrophobicContact SD-CB 3.96Å; M479-Q484 HydrophobicContact CB-CG 3.81Å; M479-Q484 HydrophobicContact CG-CG 3.68Å; M479-Q484 PolarHBondContact O-NE2 3.34Å; M479-Q484 HydrophobicContact SD-CB 4.14Å; M479-Q484 HydrophobicContact SD-CG 3.59Å; M479-Q484 VanDerWaalsContact SD-CG 3.59Å; M479-Q484 PolarHBondContact SD-N 3.31Å; M479-V487 HydrophobicContact SD-CG2 4.42Å; M479-E508 WeakPolarHBondContact CE-OE1 3.38Å; M479-L512 HydrophobicContact CE-CD1 3.49Å; M479-L512 VanDerWaalsContact CE-CD1 3.49Å; M479-L512 HydrophobicContact SD-CD1 4.32Å |
| 480 | A | 95.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -65 | 150.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E482 E483 Q484 | A480-E482 VanDerWaalsContact C-N 3.3Å; A480-E482 HydrophobicContact CB-CG 4.5Å; A480-E482 WeakPolarHBondContact CB-OE1 3.38Å; A480-E482 PolarHBondContact O-N 3.35Å; A480-E483 HydrophobicContact CB-CB 4.26Å; A480-E483 VanDerWaalsContact CB-CD 3.47Å; A480-E483 HydrophobicContact CB-CG 3.93Å; A480-E483 WeakPolarHBondContact CB-OE2 3.43Å; A480-E483 PolarHBondContact N-OE2 2.97Å; A480-E483 WeakPolarHBondContact O-CB 3.14Å; A480-E483 PolarHBondContact O-N 2.98Å; A480-E483 VanDerWaalsContact O-N 3.12Å; A480-Q484 WeakPolarHBondContact O-CG 3.36Å; A480-Q484 PolarHBondContact O-N 3.48Å |
| 481 | I | 94.4 | Very high | 94.6 | Very high | 20 Ų | 20 | 24 Ų | 24 | 10% | 0.103 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.3 | -40.7 | -176.4 | -170.4 | 63.8 | 0 | 0 | 0 | 112.2 | T423 M426 E483 Q484 V485 | T423-I481 HydrophobicContact CG2-CG1 4.26Å; M426-I481 HydrophobicContact CB-CD1 4.35Å; M426-I481 HydrophobicContact CE-CD1 3.49Å; M426-I481 VanDerWaalsContact CE-CD1 3.49Å; I481-E483 VanDerWaalsContact C-N 3.34Å; I481-E483 PolarHBondContact O-N 3.43Å; I481-Q484 PolarHBondContact O-N 3.15Å; I481-V485 WeakPolarHBondContact O-CB 3.32Å; I481-V485 VanDerWaalsContact O-CG2 3.24Å; I481-V485 WeakPolarHBondContact O-CG2 3.44Å; I481-V485 PolarHBondContact O-N 3.43Å |
| 482 | E | 94.3 | Very high | 94.5 | Very high | 7 Ų | 7 | 24 Ų | 24 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.8 | -31.8 | 178.5 | 60.8 | -79.9 | -173.4 | 0 | 0 | 113 | A480 A486 L523 I526 R527 | A480-E482 VanDerWaalsContact C-N 3.3Å; A480-E482 HydrophobicContact CB-CG 4.5Å; A480-E482 WeakPolarHBondContact CB-OE1 3.38Å; A480-E482 PolarHBondContact O-N 3.35Å; E482-A486 PolarHBondContact O-N 3.15Å; E482-A486 VanDerWaalsContact O-N 3.09Å; E482-L523 HydrophobicContact CB-CD2 4.14Å; E482-L523 HydrophobicContact CG-CB 3.92Å; E482-L523 HydrophobicContact CG-CD2 4.03Å; E482-L523 HydrophobicContact CG-CG 4.44Å; E482-I526 HydrophobicContact CB-CB 4.16Å; E482-I526 HydrophobicContact CB-CG2 3.88Å; E482-R527 IonicContact OE1-CZ 3.17Å; E482-R527 IonicContact OE1-NE 3.82Å; E482-R527 PolarHBondContact OE1-NE 2.85Å; E482-R527 IonicContact OE1-NH2 2.95Å; E482-R527 PolarHBondContact OE1-NH2 2.82Å; E482-R527 IonicContact OE2-NE 3.64Å |
| 483 | E | 95.5 | Very high | 94.3 | Very high | 42 Ų | 42 | 28.7 Ų | 28.7 | 20% | 0.196 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.8 | -46 | 172.5 | -67 | 162.6 | -176.7 | 0 | 0 | 110.1 | M479 A480 I481 V485 A486 V487 L512 I516 L523 | M479-E483 HydrophobicContact CG-CB 3.54Å; M479-E483 WeakPolarHBondContact CG-OE2 3.44Å; M479-E483 HydrophobicContact SD-CB 3.96Å; A480-E483 HydrophobicContact CB-CB 4.26Å; A480-E483 VanDerWaalsContact CB-CD 3.47Å; A480-E483 HydrophobicContact CB-CG 3.93Å; A480-E483 WeakPolarHBondContact CB-OE2 3.43Å; A480-E483 PolarHBondContact N-OE2 2.97Å; A480-E483 WeakPolarHBondContact O-CB 3.14Å; A480-E483 PolarHBondContact O-N 2.98Å; A480-E483 VanDerWaalsContact O-N 3.12Å; I481-E483 VanDerWaalsContact C-N 3.34Å; I481-E483 PolarHBondContact O-N 3.43Å; E483-V485 VanDerWaalsContact C-N 3.29Å; E483-V485 PolarHBondContact O-N 3.38Å; E483-A486 PolarHBondContact O-N 2.95Å; E483-V487 WeakPolarHBondContact O-CG2 3.37Å; E483-V487 PolarHBondContact O-N 2.99Å; E483-L512 HydrophobicContact CB-CD2 3.9Å; E483-L512 HydrophobicContact CG-CD2 4.39Å; E483-I516 HydrophobicContact CG-CD1 4.45Å; E483-L523 HydrophobicContact CG-CD1 4.36Å |
| 484 | Q | 96.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 175.2 | -64.1 | -178.2 | 34.1 | 0 | 0 | 111 | K194 D197 M426 M479 A480 I481 A486 V487 I488 | K194-Q484 HydrophobicContact CG-CB 4.31Å; K194-Q484 HydrophobicContact CG-CG 3.83Å; D197-Q484 PolarHBondContact OD2-NE2 2.9Å; D197-Q484 PolarHBondContact OD2-OE1 3.17Å; M426-Q484 HydrophobicContact CE-CB 3.8Å; M479-Q484 HydrophobicContact CB-CG 3.81Å; M479-Q484 HydrophobicContact CG-CG 3.68Å; M479-Q484 PolarHBondContact O-NE2 3.34Å; M479-Q484 HydrophobicContact SD-CB 4.14Å; M479-Q484 HydrophobicContact SD-CG 3.59Å; M479-Q484 VanDerWaalsContact SD-CG 3.59Å; M479-Q484 PolarHBondContact SD-N 3.31Å; A480-Q484 WeakPolarHBondContact O-CG 3.36Å; A480-Q484 PolarHBondContact O-N 3.48Å; I481-Q484 PolarHBondContact O-N 3.15Å; Q484-A486 PolarHBondContact O-N 3.38Å; Q484-V487 PolarHBondContact O-N 2.89Å; Q484-I488 HydrophobicContact CB-CD1 4.44Å; Q484-I488 WeakPolarHBondContact O-CB 3.32Å; Q484-I488 WeakPolarHBondContact O-CD1 3.47Å; Q484-I488 VanDerWaalsContact O-CG1 3.23Å; Q484-I488 WeakPolarHBondContact O-CG1 3.49Å; Q484-I488 PolarHBondContact O-N 3Å |
| 485 | V | 95.9 | Very high | 94 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 177.3 | 167.1 | 0 | 0 | 0 | 0 | 111.1 | A425 M426 V429 I481 E483 Y489 I526 I532 | A425-V485 HydrophobicContact CB-CG1 4.38Å; A425-V485 HydrophobicContact CB-CG2 4.14Å; M426-V485 HydrophobicContact CB-CG2 4.29Å; M426-V485 HydrophobicContact CE-CG2 3.88Å; M426-V485 HydrophobicContact SD-CG2 4.44Å; V429-V485 HydrophobicContact CG1-CG1 4.26Å; V429-V485 HydrophobicContact CG2-CG1 4.32Å; V429-V485 HydrophobicContact CG2-CG2 4.45Å; I481-V485 WeakPolarHBondContact O-CB 3.32Å; I481-V485 VanDerWaalsContact O-CG2 3.24Å; I481-V485 WeakPolarHBondContact O-CG2 3.44Å; I481-V485 PolarHBondContact O-N 3.43Å; E483-V485 VanDerWaalsContact C-N 3.29Å; E483-V485 PolarHBondContact O-N 3.38Å; V485-Y489 WeakPolarHBondContact O-CB 3.5Å; V485-Y489 PolarHBondContact O-N 3.18Å; V485-I526 HydrophobicContact CG1-CG2 4.45Å; V485-I532 HydrophobicContact CG1-CD1 3.68Å; V485-I532 HydrophobicContact CG1-CG1 4.18Å |
| 486 | A | 95.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E482 E483 Q484 A490 F511 L540 | E482-A486 PolarHBondContact O-N 3.15Å; E482-A486 VanDerWaalsContact O-N 3.09Å; E483-A486 PolarHBondContact O-N 2.95Å; Q484-A486 PolarHBondContact O-N 3.38Å; A486-A490 PolarHBondContact O-N 2.81Å; A486-F511 HydrophobicContact CB-CE1 4.34Å; A486-L540 HydrophobicContact CB-CD2 4.29Å |
| 487 | V | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.2 | -48.4 | 178.5 | 173 | 0 | 0 | 0 | 0 | 111.2 | K194 L470 M479 E483 Q484 Y489 A490 G491 E508 L512 | K194-V487 HydrophobicContact CD-CG1 4.32Å; L470-V487 HydrophobicContact CD1-CG1 3.42Å; L470-V487 VanDerWaalsContact CD1-CG1 3.42Å; L470-V487 HydrophobicContact CD2-CG1 4.37Å; L470-V487 HydrophobicContact CG-CG1 3.89Å; M479-V487 HydrophobicContact SD-CG2 4.42Å; E483-V487 WeakPolarHBondContact O-CG2 3.37Å; E483-V487 PolarHBondContact O-N 2.99Å; Q484-V487 PolarHBondContact O-N 2.89Å; V487-Y489 VanDerWaalsContact C-N 3.31Å; V487-Y489 PolarHBondContact O-N 2.92Å; V487-A490 WeakPolarHBondContact O-CB 3.38Å; V487-A490 PolarHBondContact O-N 3.27Å; V487-G491 PolarHBondContact O-N 2.73Å; V487-E508 HydrophobicContact CG1-CG 3.92Å; V487-E508 HydrophobicContact CG2-CG 4.1Å; V487-L512 HydrophobicContact CG2-CD1 4.01Å; V487-L512 HydrophobicContact CG2-CD2 3.45Å; V487-L512 VanDerWaalsContact CG2-CD2 3.45Å; V487-L512 HydrophobicContact CG2-CG 3.68Å |
| 488 | I | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.4 | -37.7 | 179.7 | -68 | 166.9 | 0 | 0 | 0 | 110.6 | M426 V429 M433 Q484 A490 G491 V492 | M426-I488 HydrophobicContact CE-CD1 3.84Å; M426-I488 HydrophobicContact SD-CD1 3.76Å; V429-I488 HydrophobicContact CB-CG2 4.22Å; V429-I488 HydrophobicContact CG2-CB 4.31Å; V429-I488 HydrophobicContact CG2-CG2 3.89Å; M433-I488 HydrophobicContact SD-CG2 4.01Å; Q484-I488 HydrophobicContact CB-CD1 4.44Å; Q484-I488 WeakPolarHBondContact O-CB 3.32Å; Q484-I488 WeakPolarHBondContact O-CD1 3.47Å; Q484-I488 VanDerWaalsContact O-CG1 3.23Å; Q484-I488 WeakPolarHBondContact O-CG1 3.49Å; Q484-I488 PolarHBondContact O-N 3Å; I488-A490 VanDerWaalsContact C-N 3.29Å; I488-A490 PolarHBondContact O-N 3.34Å; I488-G491 PolarHBondContact O-N 3.3Å; I488-V492 HydrophobicContact CG2-CG2 3.76Å; I488-V492 WeakPolarHBondContact O-CB 3.25Å; I488-V492 WeakPolarHBondContact O-CG2 3.34Å; I488-V492 PolarHBondContact O-N 3.05Å |
| 489 | Y | 95 | Very high | 93.6 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -54.9 | -45.1 | 173.9 | 176.9 | -91.2 | 0 | 0 | 0 | 111.7 | V429 V485 V487 G491 R493 Y495 D537 L540 V544 | V429-Y489 HydrophobicContact CG1-CD2 4.01Å; V485-Y489 WeakPolarHBondContact O-CB 3.5Å; V485-Y489 PolarHBondContact O-N 3.18Å; V487-Y489 VanDerWaalsContact C-N 3.31Å; V487-Y489 PolarHBondContact O-N 2.92Å; Y489-G491 PolarHBondContact O-N 3.49Å; Y489-R493 HydrophobicContact CD2-CG 3.94Å; Y489-R493 HydrophobicContact CE1-CG 4.33Å; Y489-R493 HydrophobicContact CE2-CG 3.73Å; Y489-R493 HydrophobicContact CG-CG 4.32Å; Y489-R493 VanDerWaalsContact O-CB 3.31Å; Y489-R493 WeakPolarHBondContact O-CB 3.38Å; Y489-R493 VanDerWaalsContact O-CG 3.3Å; Y489-R493 WeakPolarHBondContact O-CG 3.46Å; Y489-R493 PolarHBondContact O-N 3.27Å; Y489-Y495 HydrophobicContact CD1-CE2 4.23Å; Y489-Y495 HydrophobicContact CE1-CD2 4.37Å; Y489-Y495 AromaticContact CE1-CE2 3.57Å; Y489-Y495 HydrophobicContact CE1-CE2 3.57Å; Y489-D537 WeakPolarHBondContact CE2-OD1 3.35Å; Y489-L540 HydrophobicContact CD1-CB 4.15Å; Y489-L540 HydrophobicContact CD2-CD1 4.5Å; Y489-L540 HydrophobicContact CE1-CB 3.82Å; Y489-L540 HydrophobicContact CG-CD1 4.41Å; Y489-V544 HydrophobicContact CD1-CG2 4.43Å |
| 490 | A | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A486 V487 I488 Y495 L496 F507 V544 | A486-A490 PolarHBondContact O-N 2.81Å; V487-A490 WeakPolarHBondContact O-CB 3.38Å; V487-A490 PolarHBondContact O-N 3.27Å; I488-A490 VanDerWaalsContact C-N 3.29Å; I488-A490 PolarHBondContact O-N 3.34Å; A490-Y495 WeakPolarHBondContact O-CB 3.43Å; A490-Y495 PolarHBondContact O-N 3.15Å; A490-L496 HydrophobicContact CB-CD1 4.39Å; A490-L496 HydrophobicContact CB-CD2 4.22Å; A490-L496 HydrophobicContact CB-CG 4.31Å; A490-F507 HydrophobicContact CB-CE1 4.31Å; A490-F507 HydrophobicContact CB-CZ 4.4Å; A490-V544 HydrophobicContact CB-CG1 4.25Å; A490-V544 HydrophobicContact CB-CG2 4.32Å |
| 491 | G | 92.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.1 | -50.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V487 I488 Y489 R493 G494 | V487-G491 PolarHBondContact O-N 2.73Å; I488-G491 PolarHBondContact O-N 3.3Å; Y489-G491 PolarHBondContact O-N 3.49Å; G491-R493 VanDerWaalsContact C-N 3.33Å; G491-R493 PolarHBondContact O-N 3.2Å; G491-G494 PolarHBondContact O-N 2.95Å; G491-G494 VanDerWaalsContact O-N 3.15Å |
| 492 | V | 92.2 | Very high | 93.2 | Very high | 13 Ų | 13 | 37.2 Ų | 37.2 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.5 | -29.4 | -174.1 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | V429 M433 R463 L467 I488 G494 | V429-V492 WeakPolarHBondContact O-CG1 3.33Å; M433-V492 HydrophobicContact CB-CG2 4.09Å; M433-V492 HydrophobicContact CG-CG2 4.08Å; M433-V492 HydrophobicContact SD-CG2 4.19Å; R463-V492 PolarHBondContact NH2-O 3.33Å; L467-V492 HydrophobicContact CD2-CG2 4.29Å; I488-V492 HydrophobicContact CG2-CG2 3.76Å; I488-V492 WeakPolarHBondContact O-CB 3.25Å; I488-V492 WeakPolarHBondContact O-CG2 3.34Å; I488-V492 PolarHBondContact O-N 3.05Å; V492-G494 PolarHBondContact O-N 2.92Å |
| 493 | R | 91.6 | Very high | 93.2 | Very high | 144 Ų | 144 | 39.3 Ų | 39.3 | 54% | 0.543 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 2.5 | 175.4 | -64.1 | -68.5 | -158.9 | 175.1 | 9.1 | 113.9 | Y489 G491 Y495 D537 | Y489-R493 HydrophobicContact CD2-CG 3.94Å; Y489-R493 HydrophobicContact CE1-CG 4.33Å; Y489-R493 HydrophobicContact CE2-CG 3.73Å; Y489-R493 HydrophobicContact CG-CG 4.32Å; Y489-R493 VanDerWaalsContact O-CB 3.31Å; Y489-R493 WeakPolarHBondContact O-CB 3.38Å; Y489-R493 VanDerWaalsContact O-CG 3.3Å; Y489-R493 WeakPolarHBondContact O-CG 3.46Å; Y489-R493 PolarHBondContact O-N 3.27Å; G491-R493 VanDerWaalsContact C-N 3.33Å; G491-R493 PolarHBondContact O-N 3.2Å; R493-Y495 HydrophobicContact CB-CD2 3.56Å; R493-Y495 HydrophobicContact CB-CE2 3.22Å; R493-Y495 HydrophobicContact CG-CE2 3.94Å; R493-D537 IonicContact NH2-OD1 2.66Å; R493-D537 PolarHBondContact NH2-OD1 3.49Å; R493-D537 VanDerWaalsContact NH2-OD1 3.09Å |
| 494 | G | 90.2 | Very high | 93.1 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 21% | 0.206 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 11 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G491 V492 L496 D497 | G491-G494 PolarHBondContact O-N 2.95Å; G491-G494 VanDerWaalsContact O-N 3.15Å; V492-G494 PolarHBondContact O-N 2.92Å; G494-L496 PolarHBondContact O-N 3.44Å; G494-D497 WeakPolarHBondContact CA-OD2 3.13Å; G494-D497 WeakPolarHBondContact O-CB 3.48Å; G494-D497 PolarHBondContact O-N 2.98Å |
| 495 | Y | 92.6 | Very high | 92.9 | Very high | 57 Ų | 57 | 40 Ų | 40 | 22% | 0.224 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -25 | 178.7 | -60.4 | -68.7 | 0 | 0 | 0 | 112.4 | Y489 A490 R493 K541 V544 L548 | Y489-Y495 HydrophobicContact CD1-CE2 4.23Å; Y489-Y495 HydrophobicContact CE1-CD2 4.37Å; Y489-Y495 AromaticContact CE1-CE2 3.57Å; Y489-Y495 HydrophobicContact CE1-CE2 3.57Å; A490-Y495 WeakPolarHBondContact O-CB 3.43Å; A490-Y495 PolarHBondContact O-N 3.15Å; R493-Y495 HydrophobicContact CB-CD2 3.56Å; R493-Y495 HydrophobicContact CB-CE2 3.22Å; R493-Y495 HydrophobicContact CG-CE2 3.94Å; Y495-K541 HydrophobicContact CE1-CG 4.41Å; Y495-K541 WeakPolarHBondContact OH-CG 3.47Å; Y495-V544 HydrophobicContact CD1-CG1 4.28Å; Y495-V544 HydrophobicContact CD2-CG1 3.84Å; Y495-V544 HydrophobicContact CG-CG1 3.66Å; Y495-L548 WeakPolarHBondContact O-CD1 3.28Å |
| 496 | L | 92.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -4.7 | 179.8 | -50.7 | -176.3 | 0 | 0 | 0 | 113.5 | R466 L470 A490 G494 K498 L499 I504 F507 L548 | R466-L496 WeakPolarHBondContact CD-O 3.47Å; R466-L496 PolarHBondContact NE-O 3.45Å; R466-L496 VanDerWaalsContact NE-O 3.12Å; L470-L496 HydrophobicContact CD1-CD1 3.9Å; L470-L496 HydrophobicContact CD2-CD1 4.27Å; A490-L496 HydrophobicContact CB-CD1 4.39Å; A490-L496 HydrophobicContact CB-CD2 4.22Å; A490-L496 HydrophobicContact CB-CG 4.31Å; G494-L496 PolarHBondContact O-N 3.44Å; L496-K498 PolarHBondContact O-N 3.34Å; L496-K498 VanDerWaalsContact O-N 3.07Å; L496-L499 HydrophobicContact CD2-CD1 3.89Å; L496-L499 WeakPolarHBondContact O-CB 3.29Å; L496-L499 PolarHBondContact O-N 2.99Å; L496-I504 HydrophobicContact CB-CD1 3.94Å; L496-I504 HydrophobicContact CD1-CD1 4.24Å; L496-F507 HydrophobicContact CD1-CD1 4.32Å; L496-F507 HydrophobicContact CD1-CE1 4.17Å; L496-F507 HydrophobicContact CD2-CD1 3.71Å; L496-F507 HydrophobicContact CD2-CD2 4.39Å; L496-F507 HydrophobicContact CD2-CE1 3.33Å; L496-F507 HydrophobicContact CD2-CE2 4.04Å; L496-F507 HydrophobicContact CD2-CG 4.24Å; L496-F507 HydrophobicContact CD2-CZ 3.51Å; L496-F507 HydrophobicContact CG-CE1 4.38Å; L496-L548 HydrophobicContact CD2-CD2 4.41Å |
| 497 | D | 90.4 | Very high | 92.7 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 23% | 0.225 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24.2 | -171.3 | -71.6 | -6.2 | 0 | 0 | 0 | 113.5 | R466 G494 | R466-D497 PolarHBondContact NE-O 3.05Å; R466-D497 PolarHBondContact NH2-O 3.47Å; G494-D497 WeakPolarHBondContact CA-OD2 3.13Å; G494-D497 WeakPolarHBondContact O-CB 3.48Å; G494-D497 PolarHBondContact O-N 2.98Å |
| 498 | K | 89.3 | Confident | 92.7 | Very high | 203 Ų | 203 | 47.3 Ų | 47.3 | 88% | 0.883 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -15.1 | 177.4 | -61.9 | -173.5 | -176.2 | -178.7 | 0 | 114.2 | L496 | L496-K498 PolarHBondContact O-N 3.34Å; L496-K498 VanDerWaalsContact O-N 3.07Å |
| 499 | L | 91.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -77.7 | 149.9 | -179.9 | -68.9 | 179.1 | 0 | 0 | 0 | 111.1 | R466 L496 I504 F507 L548 F551 P553 | R466-L499 PolarHBondContact NE-O 2.66Å; R466-L499 PolarHBondContact NH2-O 3.38Å; L496-L499 HydrophobicContact CD2-CD1 3.89Å; L496-L499 WeakPolarHBondContact O-CB 3.29Å; L496-L499 PolarHBondContact O-N 2.99Å; L499-I504 HydrophobicContact CB-CD1 3.95Å; L499-I504 HydrophobicContact CD1-CD1 4.21Å; L499-F507 HydrophobicContact CD1-CB 4.14Å; L499-F507 HydrophobicContact CD1-CD2 3.98Å; L499-F507 HydrophobicContact CD1-CG 3.99Å; L499-L548 HydrophobicContact CD1-CD2 3.77Å; L499-L548 HydrophobicContact CD2-CD2 4.38Å; L499-L548 HydrophobicContact CG-CD2 4.25Å; L499-F551 HydrophobicContact CD2-CD1 4.25Å; L499-F551 HydrophobicContact CD2-CE1 4.49Å; L499-P553 HydrophobicContact CD2-CB 3.92Å |
| 500 | E | 92.3 | Very high | 92.6 | Very high | 102 Ų | 102 | 53.5 Ų | 53.5 | 48% | 0.477 | 27% | 0.271 | S | S | . | . | trans | -70.1 | 140.4 | 170.7 | -66.2 | -176.5 | 158.8 | 0 | 0 | 111.1 | S502 K503 | E500-S502 PolarHBondContact O-N 2.89Å; E500-S502 VanDerWaalsContact O-N 3.14Å; E500-K503 HydrophobicContact CB-CD 4.3Å; E500-K503 PolarHBondContact O-N 3.38Å; E500-K503 WeakPolarHBondContact OE2-CE 3.29Å; E500-K503 IonicContact OE2-NZ 2.65Å; E500-K503 PolarHBondContact OE2-NZ 2.95Å | ||
| 501 | P | 91.8 | Very high | 92.6 | Very high | 47 Ų | 47 | 53.5 Ų | 53.5 | 31% | 0.305 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -52.6 | -37.8 | -179.8 | -30.6 | 36.7 | 0 | 0 | 0 | 114.7 | V465 E469 K503 I504 | V465-P501 HydrophobicContact CG1-CB 3.78Å; V465-P501 HydrophobicContact CG1-CG 3.7Å; E469-P501 HydrophobicContact CG-CB 4.26Å; P501-K503 PolarHBondContact O-N 3.32Å; P501-I504 WeakPolarHBondContact O-CG1 3.43Å; P501-I504 PolarHBondContact O-N 3.35Å |
| 502 | S | 92.4 | Very high | 92.7 | Very high | 84 Ų | 84 | 54.2 Ų | 54.2 | 59% | 0.587 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -64.6 | -19.6 | -179.6 | 59.2 | 0 | 0 | 0 | 0 | 113.9 | E500 | E500-S502 PolarHBondContact O-N 2.89Å; E500-S502 VanDerWaalsContact O-N 3.14Å |
| 503 | K | 93.3 | Very high | 92.8 | Very high | 52 Ų | 52 | 57.3 Ų | 57.3 | 23% | 0.226 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -101 | -7.7 | -176.6 | -66.2 | 169.5 | -168.9 | 166.2 | 0 | 113 | E500 P501 T505 K506 F507 P553 | E500-K503 HydrophobicContact CB-CD 4.3Å; E500-K503 PolarHBondContact O-N 3.38Å; E500-K503 WeakPolarHBondContact OE2-CE 3.29Å; E500-K503 IonicContact OE2-NZ 2.65Å; E500-K503 PolarHBondContact OE2-NZ 2.95Å; P501-K503 PolarHBondContact O-N 3.32Å; K503-T505 VanDerWaalsContact C-N 3.33Å; K503-T505 PolarHBondContact O-N 3.09Å; K503-K506 WeakPolarHBondContact O-CB 3.38Å; K503-K506 PolarHBondContact O-N 2.98Å; K503-K506 VanDerWaalsContact O-N 3.08Å; K503-F507 WeakPolarHBondContact O-CB 3.48Å; K503-F507 PolarHBondContact O-N 3.04Å; K503-P553 WeakPolarHBondContact CD-OXT 3.32Å; K503-P553 WeakPolarHBondContact CE-O 3.48Å; K503-P553 VanDerWaalsContact CE-OXT 3.3Å; K503-P553 WeakPolarHBondContact CE-OXT 3.29Å; K503-P553 PolarHBondContact NZ-O 3.15Å; K503-P553 PolarHBondContact NZ-OXT 2.72Å |
| 504 | I | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.6 | -43.9 | 178.9 | -62.3 | -63.1 | 0 | 0 | 0 | 111.8 | R466 E469 L470 L496 L499 P501 K506 F507 E508 | R466-I504 HydrophobicContact CB-CD1 4.36Å; R466-I504 HydrophobicContact CB-CG1 4.49Å; R466-I504 HydrophobicContact CG-CD1 4.18Å; R466-I504 HydrophobicContact CG-CG1 4.32Å; E469-I504 HydrophobicContact CB-CB 3.99Å; E469-I504 HydrophobicContact CB-CG1 4.34Å; E469-I504 HydrophobicContact CB-CG2 4.02Å; L470-I504 HydrophobicContact CB-CG2 4.07Å; L470-I504 HydrophobicContact CD1-CG2 4.01Å; L496-I504 HydrophobicContact CB-CD1 3.94Å; L496-I504 HydrophobicContact CD1-CD1 4.24Å; L499-I504 HydrophobicContact CB-CD1 3.95Å; L499-I504 HydrophobicContact CD1-CD1 4.21Å; P501-I504 WeakPolarHBondContact O-CG1 3.43Å; P501-I504 PolarHBondContact O-N 3.35Å; I504-K506 VanDerWaalsContact C-N 3.33Å; I504-K506 PolarHBondContact O-N 3.3Å; I504-F507 WeakPolarHBondContact O-CB 3.27Å; I504-F507 PolarHBondContact O-N 2.85Å; I504-E508 WeakPolarHBondContact O-CB 3.41Å; I504-E508 PolarHBondContact O-N 3.27Å |
| 505 | T | 92 | Very high | 93.1 | Very high | 57 Ų | 57 | 51.6 Ų | 51.6 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 177.9 | -50.6 | 0 | 0 | 0 | 0 | 112.4 | K503 N509 | K503-T505 VanDerWaalsContact C-N 3.33Å; K503-T505 PolarHBondContact O-N 3.09Å; T505-N509 PolarHBondContact O-N 3.41Å; T505-N509 PolarHBondContact O-ND2 3.47Å |
| 506 | K | 93 | Very high | 93.1 | Very high | 146 Ų | 146 | 52.3 Ų | 52.3 | 64% | 0.635 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -69.7 | -44.6 | 175.8 | -67.1 | -177.2 | 179.6 | 179.2 | 0 | 111 | K503 I504 E508 N509 A510 F551 | K503-K506 WeakPolarHBondContact O-CB 3.38Å; K503-K506 PolarHBondContact O-N 2.98Å; K503-K506 VanDerWaalsContact O-N 3.08Å; I504-K506 VanDerWaalsContact C-N 3.33Å; I504-K506 PolarHBondContact O-N 3.3Å; K506-E508 VanDerWaalsContact C-N 3.33Å; K506-E508 PolarHBondContact O-N 3.3Å; K506-N509 PolarHBondContact O-N 3.01Å; K506-A510 WeakPolarHBondContact O-CB 3.49Å; K506-A510 PolarHBondContact O-N 3.3Å; K506-F551 HydrophobicContact CB-CZ 4.42Å |
| 507 | F | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54.6 | -50.6 | 173.5 | 165.9 | -91.5 | 0 | 0 | 0 | 110.4 | A490 L496 L499 K503 I504 N509 A510 F511 F547 L548 F551 | A490-F507 HydrophobicContact CB-CE1 4.31Å; A490-F507 HydrophobicContact CB-CZ 4.4Å; L496-F507 HydrophobicContact CD1-CD1 4.32Å; L496-F507 HydrophobicContact CD1-CE1 4.17Å; L496-F507 HydrophobicContact CD2-CD1 3.71Å; L496-F507 HydrophobicContact CD2-CD2 4.39Å; L496-F507 HydrophobicContact CD2-CE1 3.33Å; L496-F507 HydrophobicContact CD2-CE2 4.04Å; L496-F507 HydrophobicContact CD2-CG 4.24Å; L496-F507 HydrophobicContact CD2-CZ 3.51Å; L496-F507 HydrophobicContact CG-CE1 4.38Å; L499-F507 HydrophobicContact CD1-CB 4.14Å; L499-F507 HydrophobicContact CD1-CD2 3.98Å; L499-F507 HydrophobicContact CD1-CG 3.99Å; K503-F507 WeakPolarHBondContact O-CB 3.48Å; K503-F507 PolarHBondContact O-N 3.04Å; I504-F507 WeakPolarHBondContact O-CB 3.27Å; I504-F507 PolarHBondContact O-N 2.85Å; F507-N509 PolarHBondContact O-N 2.84Å; F507-A510 PolarHBondContact O-N 2.81Å; F507-F511 HydrophobicContact CD1-CB 4.49Å; F507-F511 HydrophobicContact CE1-CB 4.06Å; F507-F511 HydrophobicContact CE1-CD1 4.34Å; F507-F511 HydrophobicContact CE1-CG 4.19Å; F507-F511 HydrophobicContact CE2-CB 4.16Å; F507-F511 HydrophobicContact CE2-CD2 4.45Å; F507-F511 HydrophobicContact CE2-CG 4.39Å; F507-F511 HydrophobicContact CZ-CB 3.88Å; F507-F511 HydrophobicContact CZ-CD1 4.26Å; F507-F511 HydrophobicContact CZ-CD2 4.08Å; F507-F511 AromaticContact CZ-CG 3.81Å; F507-F511 HydrophobicContact CZ-CG 3.81Å; F507-F511 WeakPolarHBondContact O-CB 3.32Å; F507-F511 PolarHBondContact O-N 2.85Å; F507-F547 HydrophobicContact CD2-CD1 4.15Å; F507-F547 AromaticContact CD2-CE1 3.85Å; F507-F547 HydrophobicContact CD2-CE1 3.85Å; F507-F547 AromaticContact CE2-CD1 3.65Å; F507-F547 HydrophobicContact CE2-CD1 3.65Å; F507-F547 AromaticContact CE2-CE1 3.8Å; F507-F547 HydrophobicContact CE2-CE1 3.8Å; F507-L548 HydrophobicContact CD2-CD2 3.75Å; F507-L548 HydrophobicContact CE2-CD2 3.38Å; F507-L548 HydrophobicContact CE2-CG 3.92Å; F507-L548 HydrophobicContact CZ-CD2 4.26Å; F507-F551 VanDerWaalsContact CA-CZ 3.44Å; F507-F551 HydrophobicContact CB-CE1 3.82Å; F507-F551 HydrophobicContact CB-CE2 4.42Å; F507-F551 HydrophobicContact CB-CZ 3.76Å; F507-F551 HydrophobicContact CD2-CD1 4.2Å; F507-F551 HydrophobicContact CD2-CE1 4.32Å; F507-F551 HydrophobicContact CD2-CG 4.37Å |
| 508 | E | 94.3 | Very high | 93.3 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.3 | -50.8 | -178.3 | -179.2 | -172.3 | 158.3 | 0 | 0 | 111.8 | K194 M479 V487 I504 K506 A510 F511 L512 | K194-E508 IonicContact NZ-OE1 3.5Å; K194-E508 PolarHBondContact NZ-OE1 3.41Å; K194-E508 IonicContact NZ-OE2 3.63Å; K194-E508 PolarHBondContact NZ-OE2 2.64Å; M479-E508 WeakPolarHBondContact CE-OE1 3.38Å; V487-E508 HydrophobicContact CG1-CG 3.92Å; V487-E508 HydrophobicContact CG2-CG 4.1Å; I504-E508 WeakPolarHBondContact O-CB 3.41Å; I504-E508 PolarHBondContact O-N 3.27Å; K506-E508 VanDerWaalsContact C-N 3.33Å; K506-E508 PolarHBondContact O-N 3.3Å; E508-A510 VanDerWaalsContact C-N 3.35Å; E508-A510 PolarHBondContact O-N 2.84Å; E508-F511 PolarHBondContact O-N 2.83Å; E508-L512 HydrophobicContact CG-CD1 3.84Å; E508-L512 HydrophobicContact CG-CG 4.39Å; E508-L512 VanDerWaalsContact O-CB 3.28Å; E508-L512 WeakPolarHBondContact O-CB 3.35Å; E508-L512 VanDerWaalsContact O-CG 3.28Å; E508-L512 WeakPolarHBondContact O-CG 3.4Å; E508-L512 PolarHBondContact O-N 3.05Å |
| 509 | N | 93.7 | Very high | 93.5 | Very high | 93 Ų | 93 | 53.3 Ų | 53.3 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | -178.6 | -69.3 | -30.3 | 0 | 0 | 0 | 112.1 | T505 K506 F507 S513 | T505-N509 PolarHBondContact O-N 3.41Å; T505-N509 PolarHBondContact O-ND2 3.47Å; K506-N509 PolarHBondContact O-N 3.01Å; F507-N509 PolarHBondContact O-N 2.84Å; N509-S513 WeakPolarHBondContact O-CB 3.34Å; N509-S513 PolarHBondContact O-N 2.81Å; N509-S513 VanDerWaalsContact O-N 3.11Å; N509-S513 PolarHBondContact O-OG 3.45Å |
| 510 | A | 94.8 | Very high | 93.5 | Very high | 38 Ų | 38 | 59.6 Ų | 59.6 | 31% | 0.314 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.6 | -43.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K506 F507 E508 S513 H514 F547 F551 | K506-A510 WeakPolarHBondContact O-CB 3.49Å; K506-A510 PolarHBondContact O-N 3.3Å; F507-A510 PolarHBondContact O-N 2.81Å; E508-A510 VanDerWaalsContact C-N 3.35Å; E508-A510 PolarHBondContact O-N 2.84Å; A510-S513 PolarHBondContact O-N 2.69Å; A510-H514 WeakPolarHBondContact O-CB 3.43Å; A510-H514 PolarHBondContact O-N 2.98Å; A510-F547 HydrophobicContact CB-CZ 3.77Å; A510-F551 HydrophobicContact CB-CE2 4.09Å |
| 511 | F | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 177.5 | 179.1 | -110.8 | 0 | 0 | 0 | 111.2 | A486 F507 E508 S513 H514 V515 I543 V544 F547 | A486-F511 HydrophobicContact CB-CE1 4.34Å; F507-F511 HydrophobicContact CD1-CB 4.49Å; F507-F511 HydrophobicContact CE1-CB 4.06Å; F507-F511 HydrophobicContact CE1-CD1 4.34Å; F507-F511 HydrophobicContact CE1-CG 4.19Å; F507-F511 HydrophobicContact CE2-CB 4.16Å; F507-F511 HydrophobicContact CE2-CD2 4.45Å; F507-F511 HydrophobicContact CE2-CG 4.39Å; F507-F511 HydrophobicContact CZ-CB 3.88Å; F507-F511 HydrophobicContact CZ-CD1 4.26Å; F507-F511 HydrophobicContact CZ-CD2 4.08Å; F507-F511 AromaticContact CZ-CG 3.81Å; F507-F511 HydrophobicContact CZ-CG 3.81Å; F507-F511 WeakPolarHBondContact O-CB 3.32Å; F507-F511 PolarHBondContact O-N 2.85Å; E508-F511 PolarHBondContact O-N 2.83Å; F511-S513 VanDerWaalsContact C-N 3.35Å; F511-S513 PolarHBondContact O-N 3Å; F511-H514 WeakPolarHBondContact O-CB 3.34Å; F511-H514 PolarHBondContact O-N 3.2Å; F511-V515 HydrophobicContact CD1-CG2 4.27Å; F511-V515 HydrophobicContact CD2-CG2 4.09Å; F511-V515 HydrophobicContact CE1-CG2 3.87Å; F511-V515 HydrophobicContact CE2-CG2 3.67Å; F511-V515 HydrophobicContact CG-CG2 4.37Å; F511-V515 HydrophobicContact CZ-CG2 3.54Å; F511-V515 VanDerWaalsContact O-CG2 3.31Å; F511-V515 WeakPolarHBondContact O-CG2 2.92Å; F511-V515 PolarHBondContact O-N 2.89Å; F511-I543 HydrophobicContact CE2-CG2 4.1Å; F511-V544 HydrophobicContact CE1-CG2 4.42Å; F511-V544 HydrophobicContact CE2-CG2 3.81Å; F511-V544 HydrophobicContact CZ-CG2 3.49Å; F511-V544 VanDerWaalsContact CZ-CG2 3.49Å; F511-F547 HydrophobicContact CB-CD1 4.22Å; F511-F547 HydrophobicContact CB-CE1 3.85Å; F511-F547 HydrophobicContact CB-CZ 4.2Å; F511-F547 HydrophobicContact CD2-CB 4.24Å; F511-F547 AromaticContact CD2-CD1 3.81Å; F511-F547 HydrophobicContact CD2-CD1 3.81Å; F511-F547 HydrophobicContact CD2-CD2 4.48Å; F511-F547 HydrophobicContact CD2-CE1 4.28Å; F511-F547 AromaticContact CD2-CG 3.91Å; F511-F547 HydrophobicContact CD2-CG 3.91Å; F511-F547 HydrophobicContact CG-CD1 4.49Å |
| 512 | L | 93.9 | Very high | 93.5 | Very high | 19 Ų | 19 | 57.2 Ų | 57.2 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 175.1 | -78.4 | 172.9 | 0 | 0 | 0 | 111.6 | M479 E483 V487 E508 H514 V515 I516 | M479-L512 HydrophobicContact CE-CD1 3.49Å; M479-L512 VanDerWaalsContact CE-CD1 3.49Å; M479-L512 HydrophobicContact SD-CD1 4.32Å; E483-L512 HydrophobicContact CB-CD2 3.9Å; E483-L512 HydrophobicContact CG-CD2 4.39Å; V487-L512 HydrophobicContact CG2-CD1 4.01Å; V487-L512 HydrophobicContact CG2-CD2 3.45Å; V487-L512 VanDerWaalsContact CG2-CD2 3.45Å; V487-L512 HydrophobicContact CG2-CG 3.68Å; E508-L512 HydrophobicContact CG-CD1 3.84Å; E508-L512 HydrophobicContact CG-CG 4.39Å; E508-L512 VanDerWaalsContact O-CB 3.28Å; E508-L512 WeakPolarHBondContact O-CB 3.35Å; E508-L512 VanDerWaalsContact O-CG 3.28Å; E508-L512 WeakPolarHBondContact O-CG 3.4Å; E508-L512 PolarHBondContact O-N 3.05Å; L512-H514 VanDerWaalsContact C-N 3.27Å; L512-H514 PolarHBondContact O-N 3.28Å; L512-V515 PolarHBondContact O-N 2.78Å; L512-I516 WeakPolarHBondContact O-CB 3.04Å; L512-I516 WeakPolarHBondContact O-CD1 3.44Å; L512-I516 WeakPolarHBondContact O-CG1 3.31Å; L512-I516 PolarHBondContact O-N 2.85Å |
| 513 | S | 94.1 | Very high | 93.5 | Very high | 77 Ų | 77 | 53.8 Ų | 53.8 | 54% | 0.538 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 177.9 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | N509 A510 F511 S517 | N509-S513 WeakPolarHBondContact O-CB 3.34Å; N509-S513 PolarHBondContact O-N 2.81Å; N509-S513 VanDerWaalsContact O-N 3.11Å; N509-S513 PolarHBondContact O-OG 3.45Å; A510-S513 PolarHBondContact O-N 2.69Å; F511-S513 VanDerWaalsContact C-N 3.35Å; F511-S513 PolarHBondContact O-N 3Å; S513-S517 WeakPolarHBondContact O-CB 3.49Å; S513-S517 PolarHBondContact O-N 2.84Å; S513-S517 VanDerWaalsContact O-N 3.12Å; S513-S517 PolarHBondContact O-OG 2.71Å |
| 514 | H | 94.3 | Very high | 93.4 | Very high | 41 Ų | 41 | 53 Ų | 53 | 19% | 0.19 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.1 | -47.8 | 176.2 | 177.3 | 74.2 | 0 | 0 | 0 | 112.4 | A510 F511 L512 I516 S517 Q518 H519 F547 | A510-H514 WeakPolarHBondContact O-CB 3.43Å; A510-H514 PolarHBondContact O-N 2.98Å; F511-H514 WeakPolarHBondContact O-CB 3.34Å; F511-H514 PolarHBondContact O-N 3.2Å; L512-H514 VanDerWaalsContact C-N 3.27Å; L512-H514 PolarHBondContact O-N 3.28Å; H514-I516 PolarHBondContact O-N 3.39Å; H514-S517 PolarHBondContact O-N 2.89Å; H514-S517 PolarHBondContact O-OG 3.48Å; H514-Q518 VanDerWaalsContact CE1-CD 3.43Å; H514-Q518 PolarHBondContact CE1-OE1 2.94Å; H514-Q518 PolarHBondContact ND1-OE1 2.92Å; H514-Q518 WeakPolarHBondContact O-CB 3.48Å; H514-Q518 PolarHBondContact O-N 2.83Å; H514-H519 AromaticContact NE2-CD2 3.89Å; H514-H519 AromaticContact NE2-NE2 3.59Å; H514-F547 HydrophobicContact CB-CD2 3.96Å; H514-F547 HydrophobicContact CB-CE2 3.71Å; H514-F547 AromaticContact CD2-CD2 3.61Å; H514-F547 AromaticContact CG-CD2 3.73Å; H514-F547 AromaticContact CG-CE2 3.96Å |
| 515 | V | 93.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.3 | -40.5 | -179.7 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | F511 L512 H519 Q520 L523 I543 | F511-V515 HydrophobicContact CD1-CG2 4.27Å; F511-V515 HydrophobicContact CD2-CG2 4.09Å; F511-V515 HydrophobicContact CE1-CG2 3.87Å; F511-V515 HydrophobicContact CE2-CG2 3.67Å; F511-V515 HydrophobicContact CG-CG2 4.37Å; F511-V515 HydrophobicContact CZ-CG2 3.54Å; F511-V515 VanDerWaalsContact O-CG2 3.31Å; F511-V515 WeakPolarHBondContact O-CG2 2.92Å; F511-V515 PolarHBondContact O-N 2.89Å; L512-V515 PolarHBondContact O-N 2.78Å; V515-H519 HydrophobicContact CG1-CB 4.31Å; V515-H519 CarbonylContact O-C 3.6Å; V515-H519 VanDerWaalsContact O-CA 3.29Å; V515-H519 WeakPolarHBondContact O-CA 3.47Å; V515-H519 WeakPolarHBondContact O-CB 3.3Å; V515-H519 PolarHBondContact O-N 2.98Å; V515-Q520 PolarHBondContact O-N 3.36Å; V515-L523 HydrophobicContact CG1-CD1 3.97Å; V515-L523 HydrophobicContact CG1-CD2 3.86Å; V515-L523 HydrophobicContact CG1-CG 3.87Å; V515-I543 HydrophobicContact CG2-CG2 4.25Å |
| 516 | I | 93 | Very high | 93.3 | Very high | 73 Ų | 73 | 54.2 Ų | 54.2 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 178.3 | -68.3 | 166.7 | 0 | 0 | 0 | 111 | E483 L512 H514 L523 | E483-I516 HydrophobicContact CG-CD1 4.45Å; L512-I516 WeakPolarHBondContact O-CB 3.04Å; L512-I516 WeakPolarHBondContact O-CD1 3.44Å; L512-I516 WeakPolarHBondContact O-CG1 3.31Å; L512-I516 PolarHBondContact O-N 2.85Å; H514-I516 PolarHBondContact O-N 3.39Å; I516-L523 HydrophobicContact CG1-CD1 4.14Å |
| 517 | S | 93.7 | Very high | 93.1 | Very high | 86 Ų | 86 | 55.1 Ų | 55.1 | 60% | 0.601 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -79.4 | -39.6 | -176.5 | 56.4 | 0 | 0 | 0 | 0 | 114 | S513 H514 | S513-S517 WeakPolarHBondContact O-CB 3.49Å; S513-S517 PolarHBondContact O-N 2.84Å; S513-S517 VanDerWaalsContact O-N 3.12Å; S513-S517 PolarHBondContact O-OG 2.71Å; H514-S517 PolarHBondContact O-N 2.89Å; H514-S517 PolarHBondContact O-OG 3.48Å |
| 518 | Q | 93.4 | Very high | 92.8 | Very high | 130 Ų | 130 | 59.1 Ų | 59.1 | 61% | 0.607 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -106.9 | -21.2 | -171 | -58.7 | -172.2 | 12.3 | 0 | 0 | 113.7 | H514 | H514-Q518 VanDerWaalsContact CE1-CD 3.43Å; H514-Q518 PolarHBondContact CE1-OE1 2.94Å; H514-Q518 PolarHBondContact ND1-OE1 2.92Å; H514-Q518 WeakPolarHBondContact O-CB 3.48Å; H514-Q518 PolarHBondContact O-N 2.83Å |
| 519 | H | 93.1 | Very high | 92.5 | Very high | 51 Ų | 51 | 63 Ų | 63 | 24% | 0.236 | 36% | 0.357 | C | S | . | . | trans | -128.1 | 31.9 | -170.9 | -59 | -64.1 | 0 | 0 | 0 | 113.3 | H514 V515 S521 L522 L523 I543 | H514-H519 AromaticContact NE2-CD2 3.89Å; H514-H519 AromaticContact NE2-NE2 3.59Å; V515-H519 HydrophobicContact CG1-CB 4.31Å; V515-H519 CarbonylContact O-C 3.6Å; V515-H519 VanDerWaalsContact O-CA 3.29Å; V515-H519 WeakPolarHBondContact O-CA 3.47Å; V515-H519 WeakPolarHBondContact O-CB 3.3Å; V515-H519 PolarHBondContact O-N 2.98Å; H519-S521 PolarHBondContact O-N 2.96Å; H519-L522 HydrophobicContact CB-CB 4.49Å; H519-L522 WeakPolarHBondContact O-CB 3.39Å; H519-L522 PolarHBondContact O-N 3.47Å; H519-L523 PolarHBondContact O-N 2.95Å; H519-I543 HydrophobicContact CB-CD1 4.12Å | ||
| 520 | Q | 92.5 | Very high | 92.2 | Very high | 143 Ų | 143 | 59.7 Ų | 59.7 | 67% | 0.668 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -58.5 | -31.1 | -179.7 | -162.8 | 174.9 | 19.2 | 0 | 0 | 113.4 | V515 L522 L523 G524 | V515-Q520 PolarHBondContact O-N 3.36Å; Q520-L522 VanDerWaalsContact C-N 3.31Å; Q520-L522 PolarHBondContact O-N 2.84Å; Q520-L523 PolarHBondContact O-N 3.14Å; Q520-G524 PolarHBondContact O-N 2.75Å |
| 521 | S | 92.4 | Very high | 92.1 | Very high | 91 Ų | 91 | 62.7 Ų | 62.7 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.3 | -36.8 | 175.7 | 58 | 0 | 0 | 0 | 0 | 112.6 | H519 G524 N525 | H519-S521 PolarHBondContact O-N 2.96Å; S521-G524 PolarHBondContact O-N 2.98Å; S521-N525 PolarHBondContact O-N 2.92Å; S521-N525 PolarHBondContact O-ND2 2.84Å; S521-N525 PolarHBondContact O-OD1 3.37Å |
| 522 | L | 92 | Very high | 91.9 | Very high | 8 Ų | 8 | 63.3 Ų | 63.3 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.1 | -44.5 | 176.8 | 179.3 | 62.7 | 0 | 0 | 0 | 111.4 | H519 Q520 G524 N525 I526 K539 L540 I543 | H519-L522 HydrophobicContact CB-CB 4.49Å; H519-L522 WeakPolarHBondContact O-CB 3.39Å; H519-L522 PolarHBondContact O-N 3.47Å; Q520-L522 VanDerWaalsContact C-N 3.31Å; Q520-L522 PolarHBondContact O-N 2.84Å; L522-G524 VanDerWaalsContact C-N 3.31Å; L522-G524 PolarHBondContact O-N 2.8Å; L522-N525 PolarHBondContact O-N 3.26Å; L522-I526 HydrophobicContact CG-CD1 4.29Å; L522-I526 WeakPolarHBondContact O-CG1 3.41Å; L522-I526 PolarHBondContact O-N 3.03Å; L522-K539 HydrophobicContact CD1-CB 4.37Å; L522-K539 HydrophobicContact CD2-CB 4.42Å; L522-L540 HydrophobicContact CD2-CD2 3.67Å; L522-L540 HydrophobicContact CD2-CG 3.93Å; L522-L540 HydrophobicContact CG-CD2 4.48Å; L522-I543 HydrophobicContact CD2-CD1 3.51Å |
| 523 | L | 91.9 | Very high | 91.9 | Very high | 11 Ų | 11 | 63.9 Ų | 63.9 | 6% | 0.058 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 174.5 | -67.8 | -176 | 0 | 0 | 0 | 111.4 | E482 E483 V515 I516 H519 Q520 N525 I526 R527 | E482-L523 HydrophobicContact CB-CD2 4.14Å; E482-L523 HydrophobicContact CG-CB 3.92Å; E482-L523 HydrophobicContact CG-CD2 4.03Å; E482-L523 HydrophobicContact CG-CG 4.44Å; E483-L523 HydrophobicContact CG-CD1 4.36Å; V515-L523 HydrophobicContact CG1-CD1 3.97Å; V515-L523 HydrophobicContact CG1-CD2 3.86Å; V515-L523 HydrophobicContact CG1-CG 3.87Å; I516-L523 HydrophobicContact CG1-CD1 4.14Å; H519-L523 PolarHBondContact O-N 2.95Å; Q520-L523 PolarHBondContact O-N 3.14Å; L523-N525 PolarHBondContact O-N 2.82Å; L523-I526 PolarHBondContact O-N 3.43Å; L523-R527 WeakPolarHBondContact O-CB 3.42Å; L523-R527 PolarHBondContact O-N 3.42Å |
| 524 | G | 91.4 | Very high | 91.8 | Very high | 35 Ų | 35 | 68.7 Ų | 68.7 | 36% | 0.361 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q520 S521 L522 R527 A528 | Q520-G524 PolarHBondContact O-N 2.75Å; S521-G524 PolarHBondContact O-N 2.98Å; L522-G524 VanDerWaalsContact C-N 3.31Å; L522-G524 PolarHBondContact O-N 2.8Å; G524-R527 PolarHBondContact O-N 3.11Å; G524-A528 WeakPolarHBondContact O-CB 3.35Å; G524-A528 PolarHBondContact O-N 2.89Å |
| 525 | N | 91.8 | Very high | 91.7 | Very high | 78 Ų | 78 | 73.8 Ų | 73.8 | 42% | 0.417 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 177 | -67.3 | -13.5 | 0 | 0 | 0 | 111.8 | S521 L522 L523 R527 A528 D529 | S521-N525 PolarHBondContact O-N 2.92Å; S521-N525 PolarHBondContact O-ND2 2.84Å; S521-N525 PolarHBondContact O-OD1 3.37Å; L522-N525 PolarHBondContact O-N 3.26Å; L523-N525 PolarHBondContact O-N 2.82Å; N525-R527 VanDerWaalsContact C-N 3.29Å; N525-R527 PolarHBondContact O-N 2.92Å; N525-A528 PolarHBondContact O-N 3.41Å; N525-D529 VanDerWaalsContact O-CB 3.3Å; N525-D529 WeakPolarHBondContact O-CB 3.28Å; N525-D529 PolarHBondContact O-N 3.25Å |
| 526 | I | 91.5 | Very high | 91.6 | Very high | 5 Ų | 5 | 73.9 Ų | 73.9 | 3% | 0.026 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | 177.1 | -66.5 | 167.7 | 0 | 0 | 0 | 110.7 | A425 E482 V485 L522 L523 G530 L540 | A425-I526 HydrophobicContact CB-CG2 4.14Å; E482-I526 HydrophobicContact CB-CB 4.16Å; E482-I526 HydrophobicContact CB-CG2 3.88Å; V485-I526 HydrophobicContact CG1-CG2 4.45Å; L522-I526 HydrophobicContact CG-CD1 4.29Å; L522-I526 WeakPolarHBondContact O-CG1 3.41Å; L522-I526 PolarHBondContact O-N 3.03Å; L523-I526 PolarHBondContact O-N 3.43Å; I526-G530 WeakPolarHBondContact O-CA 3.38Å; I526-G530 PolarHBondContact O-N 2.75Å; I526-L540 HydrophobicContact CD1-CD1 4.13Å |
| 527 | R | 89.9 | Confident | 91.6 | Very high | 166 Ų | 166 | 72.6 Ų | 72.6 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.3 | -42.7 | 177.9 | -171.3 | -168 | -74.5 | -179.7 | -1.9 | 112 | E482 L523 G524 N525 | E482-R527 IonicContact OE1-CZ 3.17Å; E482-R527 IonicContact OE1-NE 3.82Å; E482-R527 PolarHBondContact OE1-NE 2.85Å; E482-R527 IonicContact OE1-NH2 2.95Å; E482-R527 PolarHBondContact OE1-NH2 2.82Å; E482-R527 IonicContact OE2-NE 3.64Å; L523-R527 WeakPolarHBondContact O-CB 3.42Å; L523-R527 PolarHBondContact O-N 3.42Å; G524-R527 PolarHBondContact O-N 3.11Å; N525-R527 VanDerWaalsContact C-N 3.29Å; N525-R527 PolarHBondContact O-N 2.92Å |
| 528 | A | 88.6 | Confident | 91.7 | Very high | 84 Ų | 84 | 71.3 Ų | 71.3 | 69% | 0.694 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -74.5 | -47.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G524 N525 G530 | G524-A528 WeakPolarHBondContact O-CB 3.35Å; G524-A528 PolarHBondContact O-N 2.89Å; N525-A528 PolarHBondContact O-N 3.41Å; A528-G530 VanDerWaalsContact C-N 3.32Å |
| 529 | D | 87.6 | Confident | 91.7 | Very high | 91 Ų | 91 | 70.4 Ų | 70.4 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -75 | -26.3 | -177.5 | -68.4 | -13.5 | 0 | 0 | 0 | 112.1 | N525 K531 | N525-D529 VanDerWaalsContact O-CB 3.3Å; N525-D529 WeakPolarHBondContact O-CB 3.28Å; N525-D529 PolarHBondContact O-N 3.25Å; D529-K531 HydrophobicContact CB-CG 4.11Å; D529-K531 PolarHBondContact O-N 3.26Å; D529-K531 VanDerWaalsContact O-N 3.09Å |
| 530 | G | 87.8 | Confident | 91.7 | Very high | 24 Ų | 24 | 68 Ų | 68 | 25% | 0.247 | 37% | 0.369 | C | S | . | . | S | Bend | trans | 65.4 | 7.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R424 A425 I526 A528 | R424-G530 CarbonylContact C-O 3.57Å; R424-G530 WeakPolarHBondContact CA-O 3.42Å; R424-G530 WeakPolarHBondContact CB-O 3.49Å; R424-G530 PolarHBondContact N-O 3.08Å; A425-G530 PolarHBondContact N-O 2.84Å; I526-G530 WeakPolarHBondContact O-CA 3.38Å; I526-G530 PolarHBondContact O-N 2.75Å; A528-G530 VanDerWaalsContact C-N 3.32Å |
| 531 | K | 92.2 | Very high | 91.8 | Very high | 100 Ų | 100 | 66.5 Ų | 66.5 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -137.6 | 155.9 | 178.8 | 67.1 | 178 | -177.8 | 177.4 | 0 | 110.2 | R424 D529 S533 | R424-K531 HydrophobicContact CB-CB 4.13Å; D529-K531 HydrophobicContact CB-CG 4.11Å; D529-K531 PolarHBondContact O-N 3.26Å; D529-K531 VanDerWaalsContact O-N 3.09Å; K531-S533 PolarHBondContact O-N 3.13Å |
| 532 | I | 91.9 | Very high | 91.9 | Very high | 14 Ų | 14 | 67.8 Ų | 67.8 | 7% | 0.072 | 36% | 0.357 | C | S | . | . | trans | -86.2 | 110.3 | 167.3 | -55.4 | 177.9 | 0 | 0 | 0 | 107.1 | A425 Q428 V429 V485 D537 L540 | A425-I532 HydrophobicContact CB-CG1 4.04Å; Q428-I532 PolarHBondContact NE2-O 3.07Å; V429-I532 HydrophobicContact CG1-CD1 3.35Å; V485-I532 HydrophobicContact CG1-CD1 3.68Å; V485-I532 HydrophobicContact CG1-CG1 4.18Å; I532-D537 HydrophobicContact CG2-CB 3.82Å; I532-L540 HydrophobicContact CG2-CD1 4.42Å | ||
| 533 | S | 92.9 | Very high | 92 | Very high | 31 Ų | 31 | 68.1 Ų | 68.1 | 22% | 0.217 | 36% | 0.358 | C | S | . | . | trans | -74 | 162 | 170.9 | 75.5 | 0 | 0 | 0 | 0 | 110.7 | K531 Q535 S536 D537 | K531-S533 PolarHBondContact O-N 3.13Å; S533-Q535 PolarHBondContact O-N 2.73Å; S533-S536 WeakPolarHBondContact O-CB 3.48Å; S533-S536 PolarHBondContact O-N 3.45Å; S533-S536 PolarHBondContact OG-N 2.91Å; S533-S536 VanDerWaalsContact OG-N 3.08Å; S533-S536 PolarHBondContact OG-OG 3.37Å; S533-D537 PolarHBondContact O-N 3.07Å | ||
| 534 | E | 92.2 | Very high | 92.2 | Very high | 178 Ų | 178 | 67.6 Ų | 67.6 | 83% | 0.832 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.7 | -36.7 | 175.4 | -67.4 | 178 | -179.3 | 0 | 0 | 112.2 | D537 A538 | E534-D537 PolarHBondContact O-N 3.48Å; E534-A538 WeakPolarHBondContact O-CB 3.17Å; E534-A538 PolarHBondContact O-N 3.47Å |
| 535 | Q | 91.7 | Very high | 92.3 | Very high | 147 Ų | 147 | 69 Ų | 69 | 69% | 0.687 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.3 | -40.7 | 175.4 | -62.9 | -179 | 8.2 | 0 | 0 | 111.8 | S533 K539 | S533-Q535 PolarHBondContact O-N 2.73Å; Q535-K539 WeakPolarHBondContact O-CB 3.37Å; Q535-K539 VanDerWaalsContact O-CG 3.32Å; Q535-K539 WeakPolarHBondContact O-CG 3.5Å; Q535-K539 PolarHBondContact O-N 2.88Å; Q535-K539 VanDerWaalsContact O-N 3.11Å |
| 536 | S | 92 | Very high | 92.3 | Very high | 5 Ų | 5 | 70 Ų | 70 | 4% | 0.035 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 176.4 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | S533 K539 L540 | S533-S536 WeakPolarHBondContact O-CB 3.48Å; S533-S536 PolarHBondContact O-N 3.45Å; S533-S536 PolarHBondContact OG-N 2.91Å; S533-S536 VanDerWaalsContact OG-N 3.08Å; S533-S536 PolarHBondContact OG-OG 3.37Å; S536-K539 PolarHBondContact O-N 3.47Å; S536-L540 WeakPolarHBondContact O-CB 3.43Å; S536-L540 VanDerWaalsContact O-CG 3.3Å; S536-L540 WeakPolarHBondContact O-CG 3.28Å; S536-L540 PolarHBondContact O-N 2.77Å |
| 537 | D | 93.5 | Very high | 92.4 | Very high | 47 Ų | 47 | 71.4 Ų | 71.4 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.9 | -48 | 177 | -173.2 | 91 | 0 | 0 | 0 | 111 | Y489 R493 I532 S533 E534 K539 L540 K541 | Y489-D537 WeakPolarHBondContact CE2-OD1 3.35Å; R493-D537 IonicContact NH2-OD1 2.66Å; R493-D537 PolarHBondContact NH2-OD1 3.49Å; R493-D537 VanDerWaalsContact NH2-OD1 3.09Å; I532-D537 HydrophobicContact CG2-CB 3.82Å; S533-D537 PolarHBondContact O-N 3.07Å; E534-D537 PolarHBondContact O-N 3.48Å; D537-K539 PolarHBondContact O-N 3.21Å; D537-L540 PolarHBondContact O-N 3.35Å; D537-K541 WeakPolarHBondContact O-CB 3.47Å; D537-K541 PolarHBondContact O-N 3.42Å |
| 538 | A | 94.5 | Very high | 92.5 | Very high | 58 Ų | 58 | 65.3 Ų | 65.3 | 48% | 0.479 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.5 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E534 K541 E542 | E534-A538 WeakPolarHBondContact O-CB 3.17Å; E534-A538 PolarHBondContact O-N 3.47Å; A538-K541 PolarHBondContact O-N 3.25Å; A538-E542 PolarHBondContact O-N 2.76Å |
| 539 | K | 93.9 | Very high | 92.5 | Very high | 111 Ų | 111 | 65.6 Ų | 65.6 | 48% | 0.483 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 176.3 | -73.5 | 179.7 | -178.7 | -177.3 | 0 | 112.4 | L522 Q535 S536 D537 K541 E542 I543 | L522-K539 HydrophobicContact CD1-CB 4.37Å; L522-K539 HydrophobicContact CD2-CB 4.42Å; Q535-K539 WeakPolarHBondContact O-CB 3.37Å; Q535-K539 VanDerWaalsContact O-CG 3.32Å; Q535-K539 WeakPolarHBondContact O-CG 3.5Å; Q535-K539 PolarHBondContact O-N 2.88Å; Q535-K539 VanDerWaalsContact O-N 3.11Å; S536-K539 PolarHBondContact O-N 3.47Å; D537-K539 PolarHBondContact O-N 3.21Å; K539-K541 VanDerWaalsContact C-N 3.31Å; K539-K541 PolarHBondContact O-N 2.77Å; K539-E542 PolarHBondContact O-N 2.98Å; K539-I543 WeakPolarHBondContact O-CD1 3.35Å; K539-I543 WeakPolarHBondContact O-CG1 3.26Å; K539-I543 PolarHBondContact O-N 3.05Å |
| 540 | L | 93.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 176.1 | -80.8 | 172.4 | 0 | 0 | 0 | 111.1 | A486 Y489 L522 I526 I532 S536 D537 I543 V544 | A486-L540 HydrophobicContact CB-CD2 4.29Å; Y489-L540 HydrophobicContact CD1-CB 4.15Å; Y489-L540 HydrophobicContact CD2-CD1 4.5Å; Y489-L540 HydrophobicContact CE1-CB 3.82Å; Y489-L540 HydrophobicContact CG-CD1 4.41Å; L522-L540 HydrophobicContact CD2-CD2 3.67Å; L522-L540 HydrophobicContact CD2-CG 3.93Å; L522-L540 HydrophobicContact CG-CD2 4.48Å; I526-L540 HydrophobicContact CD1-CD1 4.13Å; I532-L540 HydrophobicContact CG2-CD1 4.42Å; S536-L540 WeakPolarHBondContact O-CB 3.43Å; S536-L540 VanDerWaalsContact O-CG 3.3Å; S536-L540 WeakPolarHBondContact O-CG 3.28Å; S536-L540 PolarHBondContact O-N 2.77Å; D537-L540 PolarHBondContact O-N 3.35Å; L540-I543 PolarHBondContact O-N 3.46Å; L540-V544 WeakPolarHBondContact O-CB 3.36Å; L540-V544 WeakPolarHBondContact O-CG2 3.49Å; L540-V544 PolarHBondContact O-N 2.92Å |
| 541 | K | 95 | Very high | 92.4 | Very high | 112 Ų | 112 | 65.2 Ų | 65.2 | 49% | 0.487 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 175.7 | 174.7 | 172.9 | 179.2 | -175.3 | 0 | 111.9 | Y495 D537 A538 K539 T545 | Y495-K541 HydrophobicContact CE1-CG 4.41Å; Y495-K541 WeakPolarHBondContact OH-CG 3.47Å; D537-K541 WeakPolarHBondContact O-CB 3.47Å; D537-K541 PolarHBondContact O-N 3.42Å; A538-K541 PolarHBondContact O-N 3.25Å; K539-K541 VanDerWaalsContact C-N 3.31Å; K539-K541 PolarHBondContact O-N 2.77Å; K541-T545 WeakPolarHBondContact O-CB 3.36Å; K541-T545 PolarHBondContact O-N 3.38Å; K541-T545 PolarHBondContact O-OG1 2.8Å |
| 542 | E | 94.9 | Very high | 91.5 | Very high | 118 Ų | 118 | 68.8 Ų | 68.8 | 55% | 0.551 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59.7 | -50 | 177.8 | -177 | -178.7 | 177.8 | 0 | 0 | 111.3 | A538 K539 V544 T545 N546 | A538-E542 PolarHBondContact O-N 2.76Å; K539-E542 PolarHBondContact O-N 2.98Å; E542-V544 PolarHBondContact O-N 3.17Å; E542-T545 PolarHBondContact O-N 2.89Å; E542-N546 WeakPolarHBondContact O-CB 3.46Å; E542-N546 VanDerWaalsContact O-CG 3.25Å; E542-N546 PolarHBondContact O-N 3.36Å; E542-N546 PolarHBondContact O-ND2 3.28Å |
| 543 | I | 94.2 | Very high | 89.8 | Confident | 14 Ų | 14 | 72.7 Ų | 72.7 | 7% | 0.072 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.1 | -47.7 | -178.8 | -65.8 | 162.4 | 0 | 0 | 0 | 111 | F511 V515 H519 L522 K539 L540 T545 N546 F547 | F511-I543 HydrophobicContact CE2-CG2 4.1Å; V515-I543 HydrophobicContact CG2-CG2 4.25Å; H519-I543 HydrophobicContact CB-CD1 4.12Å; L522-I543 HydrophobicContact CD2-CD1 3.51Å; K539-I543 WeakPolarHBondContact O-CD1 3.35Å; K539-I543 WeakPolarHBondContact O-CG1 3.26Å; K539-I543 PolarHBondContact O-N 3.05Å; L540-I543 PolarHBondContact O-N 3.46Å; I543-T545 VanDerWaalsContact C-N 3.33Å; I543-T545 PolarHBondContact O-N 3.06Å; I543-N546 PolarHBondContact O-N 2.96Å; I543-F547 WeakPolarHBondContact O-CB 3.39Å; I543-F547 PolarHBondContact O-N 3.47Å |
| 544 | V | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 179.3 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | Y489 A490 Y495 F511 L540 E542 L548 | Y489-V544 HydrophobicContact CD1-CG2 4.43Å; A490-V544 HydrophobicContact CB-CG1 4.25Å; A490-V544 HydrophobicContact CB-CG2 4.32Å; Y495-V544 HydrophobicContact CD1-CG1 4.28Å; Y495-V544 HydrophobicContact CD2-CG1 3.84Å; Y495-V544 HydrophobicContact CG-CG1 3.66Å; F511-V544 HydrophobicContact CE1-CG2 4.42Å; F511-V544 HydrophobicContact CE2-CG2 3.81Å; F511-V544 HydrophobicContact CZ-CG2 3.49Å; F511-V544 VanDerWaalsContact CZ-CG2 3.49Å; L540-V544 WeakPolarHBondContact O-CB 3.36Å; L540-V544 WeakPolarHBondContact O-CG2 3.49Å; L540-V544 PolarHBondContact O-N 2.92Å; E542-V544 PolarHBondContact O-N 3.17Å; V544-L548 HydrophobicContact CG1-CD1 3.81Å; V544-L548 HydrophobicContact CG1-CG 4.46Å; V544-L548 WeakPolarHBondContact O-CB 3.19Å; V544-L548 VanDerWaalsContact O-CG 3.25Å; V544-L548 WeakPolarHBondContact O-CG 3.14Å; V544-L548 PolarHBondContact O-N 3.2Å |
| 545 | T | 93.4 | Very high | 89.6 | Confident | 66 Ų | 66 | 69.3 Ų | 69.3 | 41% | 0.405 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.5 | -44.7 | -177.9 | -51.3 | 0 | 0 | 0 | 0 | 111.6 | K541 E542 I543 L548 A549 | K541-T545 WeakPolarHBondContact O-CB 3.36Å; K541-T545 PolarHBondContact O-N 3.38Å; K541-T545 PolarHBondContact O-OG1 2.8Å; E542-T545 PolarHBondContact O-N 2.89Å; I543-T545 VanDerWaalsContact C-N 3.33Å; I543-T545 PolarHBondContact O-N 3.06Å; T545-L548 PolarHBondContact O-N 3.39Å; T545-A549 PolarHBondContact O-N 3.28Å |
| 546 | N | 93.3 | Very high | 89.4 | Confident | 99 Ų | 99 | 65 Ų | 65 | 53% | 0.529 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 178.6 | -70.2 | -13.4 | 0 | 0 | 0 | 111.5 | E542 I543 A549 G550 | E542-N546 WeakPolarHBondContact O-CB 3.46Å; E542-N546 VanDerWaalsContact O-CG 3.25Å; E542-N546 PolarHBondContact O-N 3.36Å; E542-N546 PolarHBondContact O-ND2 3.28Å; I543-N546 PolarHBondContact O-N 2.96Å; N546-A549 PolarHBondContact O-N 3.24Å; N546-G550 PolarHBondContact O-N 2.89Å |
| 547 | F | 93.4 | Very high | 89.3 | Confident | 33 Ų | 33 | 68.5 Ų | 68.5 | 15% | 0.145 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 176.5 | -174.8 | -91.6 | 0 | 0 | 0 | 111.4 | F507 A510 F511 H514 I543 A549 G550 F551 | F507-F547 HydrophobicContact CD2-CD1 4.15Å; F507-F547 AromaticContact CD2-CE1 3.85Å; F507-F547 HydrophobicContact CD2-CE1 3.85Å; F507-F547 AromaticContact CE2-CD1 3.65Å; F507-F547 HydrophobicContact CE2-CD1 3.65Å; F507-F547 AromaticContact CE2-CE1 3.8Å; F507-F547 HydrophobicContact CE2-CE1 3.8Å; A510-F547 HydrophobicContact CB-CZ 3.77Å; F511-F547 HydrophobicContact CB-CD1 4.22Å; F511-F547 HydrophobicContact CB-CE1 3.85Å; F511-F547 HydrophobicContact CB-CZ 4.2Å; F511-F547 HydrophobicContact CD2-CB 4.24Å; F511-F547 AromaticContact CD2-CD1 3.81Å; F511-F547 HydrophobicContact CD2-CD1 3.81Å; F511-F547 HydrophobicContact CD2-CD2 4.48Å; F511-F547 HydrophobicContact CD2-CE1 4.28Å; F511-F547 AromaticContact CD2-CG 3.91Å; F511-F547 HydrophobicContact CD2-CG 3.91Å; F511-F547 HydrophobicContact CG-CD1 4.49Å; H514-F547 HydrophobicContact CB-CD2 3.96Å; H514-F547 HydrophobicContact CB-CE2 3.71Å; H514-F547 AromaticContact CD2-CD2 3.61Å; H514-F547 AromaticContact CG-CD2 3.73Å; H514-F547 AromaticContact CG-CE2 3.96Å; I543-F547 WeakPolarHBondContact O-CB 3.39Å; I543-F547 PolarHBondContact O-N 3.47Å; F547-A549 VanDerWaalsContact C-N 3.29Å; F547-A549 PolarHBondContact O-N 3.08Å; F547-G550 PolarHBondContact O-N 2.94Å; F547-F551 HydrophobicContact CD1-CB 4.35Å; F547-F551 HydrophobicContact CE1-CB 4.17Å; F547-F551 AromaticContact CE1-CD2 3.73Å; F547-F551 HydrophobicContact CE1-CD2 3.73Å; F547-F551 HydrophobicContact CE1-CE2 4.45Å; F547-F551 HydrophobicContact CE1-CG 4.13Å; F547-F551 HydrophobicContact CZ-CD2 4.01Å; F547-F551 WeakPolarHBondContact O-CB 3.44Å; F547-F551 PolarHBondContact O-N 3.01Å |
| 548 | L | 91.3 | Very high | 89 | Confident | 38 Ų | 38 | 69.9 Ų | 69.9 | 20% | 0.199 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.3 | -30.5 | 177.2 | -76.2 | 170.8 | 0 | 0 | 0 | 113.3 | Y495 L496 L499 F507 V544 T545 G550 F551 | Y495-L548 WeakPolarHBondContact O-CD1 3.28Å; L496-L548 HydrophobicContact CD2-CD2 4.41Å; L499-L548 HydrophobicContact CD1-CD2 3.77Å; L499-L548 HydrophobicContact CD2-CD2 4.38Å; L499-L548 HydrophobicContact CG-CD2 4.25Å; F507-L548 HydrophobicContact CD2-CD2 3.75Å; F507-L548 HydrophobicContact CE2-CD2 3.38Å; F507-L548 HydrophobicContact CE2-CG 3.92Å; F507-L548 HydrophobicContact CZ-CD2 4.26Å; V544-L548 HydrophobicContact CG1-CD1 3.81Å; V544-L548 HydrophobicContact CG1-CG 4.46Å; V544-L548 WeakPolarHBondContact O-CB 3.19Å; V544-L548 VanDerWaalsContact O-CG 3.25Å; V544-L548 WeakPolarHBondContact O-CG 3.14Å; V544-L548 PolarHBondContact O-N 3.2Å; T545-L548 PolarHBondContact O-N 3.39Å; L548-G550 VanDerWaalsContact C-N 3.29Å; L548-G550 PolarHBondContact O-N 2.8Å; L548-F551 PolarHBondContact O-N 3.03Å |
| 549 | A | 89.6 | Confident | 88.7 | Confident | 91 Ų | 91 | 70.7 Ų | 70.7 | 75% | 0.752 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67 | -30.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T545 N546 F547 | T545-A549 PolarHBondContact O-N 3.28Å; N546-A549 PolarHBondContact O-N 3.24Å; F547-A549 VanDerWaalsContact C-N 3.29Å; F547-A549 PolarHBondContact O-N 3.08Å |
| 550 | G | 85.8 | Confident | 88.3 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 72% | 0.722 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -97.3 | -6.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N546 F547 L548 | N546-G550 PolarHBondContact O-N 2.89Å; F547-G550 PolarHBondContact O-N 2.94Å; L548-G550 VanDerWaalsContact C-N 3.29Å; L548-G550 PolarHBondContact O-N 2.8Å |
| 551 | F | 87.6 | Confident | 87.9 | Confident | 37 Ų | 37 | 72.9 Ų | 72.9 | 16% | 0.162 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -87.6 | 114.9 | 179 | -171.8 | -99.2 | 0 | 0 | 0 | 109 | L499 K506 F507 A510 F547 L548 P553 | L499-F551 HydrophobicContact CD2-CD1 4.25Å; L499-F551 HydrophobicContact CD2-CE1 4.49Å; K506-F551 HydrophobicContact CB-CZ 4.42Å; F507-F551 VanDerWaalsContact CA-CZ 3.44Å; F507-F551 HydrophobicContact CB-CE1 3.82Å; F507-F551 HydrophobicContact CB-CE2 4.42Å; F507-F551 HydrophobicContact CB-CZ 3.76Å; F507-F551 HydrophobicContact CD2-CD1 4.2Å; F507-F551 HydrophobicContact CD2-CE1 4.32Å; F507-F551 HydrophobicContact CD2-CG 4.37Å; A510-F551 HydrophobicContact CB-CE2 4.09Å; F547-F551 HydrophobicContact CD1-CB 4.35Å; F547-F551 HydrophobicContact CE1-CB 4.17Å; F547-F551 AromaticContact CE1-CD2 3.73Å; F547-F551 HydrophobicContact CE1-CD2 3.73Å; F547-F551 HydrophobicContact CE1-CE2 4.45Å; F547-F551 HydrophobicContact CE1-CG 4.13Å; F547-F551 HydrophobicContact CZ-CD2 4.01Å; F547-F551 WeakPolarHBondContact O-CB 3.44Å; F547-F551 PolarHBondContact O-N 3.01Å; L548-F551 PolarHBondContact O-N 3.03Å; F551-P553 WeakPolarHBondContact O-CD 3.45Å; F551-P553 VanDerWaalsContact O-N 3.16Å |
| 552 | E | 72.8 | Confident | 87.3 | Confident | 175 Ų | 175 | 69.7 Ų | 69.7 | 82% | 0.818 | 41% | 0.414 | S | S | * | . | trans | -60.5 | 120.1 | 174.9 | -75.8 | -173.3 | 165.3 | 0 | 0 | 109.6 | ||||
| 553 | P | 56.8 | Low | 86.6 | Confident | 95 Ų | 95 | 65.3 Ų | 65.3 | 62% | 0.617 | 40% | 0.402 | S | S | * | . | trans | -74.1 | 0 | -172.7 | 30.7 | -36.3 | 0 | 0 | 0 | 112.7 | L499 K503 F551 | L499-P553 HydrophobicContact CD2-CB 3.92Å; K503-P553 WeakPolarHBondContact CD-OXT 3.32Å; K503-P553 WeakPolarHBondContact CE-O 3.48Å; K503-P553 VanDerWaalsContact CE-OXT 3.3Å; K503-P553 WeakPolarHBondContact CE-OXT 3.29Å; K503-P553 PolarHBondContact NZ-O 3.15Å; K503-P553 PolarHBondContact NZ-OXT 2.72Å; F551-P553 WeakPolarHBondContact O-CD 3.45Å; F551-P553 VanDerWaalsContact O-N 3.16Å |
Retrieved 553 of 553 residues in 147.6 ms
(Link to these results)