| 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 | A | 38.5 | Very low | 35.4 | Very low | 162 Ų | 162 | 195.2 Ų | 195.2 | 100% | 1.339 | 93% | 0.929 | S | S | * | * | 0 | 114.5 | 0 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 2 | R | 37.6 | Very low | 35.5 | Very low | 253 Ų | 253 | 192.9 Ų | 192.9 | 96% | 0.955 | 93% | 0.925 | S | S | * | * | trans | -109.6 | 121.6 | -179.4 | -74.1 | -179.2 | -179.3 | 171.6 | 0.3 | 108.9 | ||||
| 3 | H | 37.3 | Very low | 35.6 | Very low | 205 Ų | 205 | 184.3 Ų | 184.3 | 95% | 0.949 | 92% | 0.918 | S | S | * | * | trans | -79.8 | 135.3 | 169.3 | -87.7 | -50.6 | 0 | 0 | 0 | 110.8 | ||||
| 4 | R | 36.2 | Very low | 35.5 | Very low | 238 Ų | 238 | 182.3 Ų | 182.3 | 90% | 0.898 | 91% | 0.912 | S | S | * | * | trans | -144 | 118.9 | 160.5 | -162 | 173.5 | -176.2 | -179.9 | 0.8 | 110.2 | ||||
| 5 | K | 39.9 | Very low | 35.9 | Very low | 208 Ų | 208 | 178.7 Ų | 178.7 | 90% | 0.904 | 91% | 0.911 | S | S | * | * | P | Polyproline II helix | trans | -57 | 135.4 | 175.9 | -70.8 | 174.1 | 172.5 | 179 | 0 | 111 | ||
| 6 | Q | 35 | Very low | 35.9 | Very low | 198 Ų | 198 | 171.1 Ų | 171.1 | 93% | 0.925 | 89% | 0.891 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 133.5 | 167.2 | -79.3 | -177 | -15.1 | 0 | 0 | 110.7 | ||
| 7 | R | 30.9 | Very low | 35.9 | Very low | 228 Ų | 228 | 172.8 Ų | 172.8 | 86% | 0.86 | 89% | 0.89 | S | S | * | * | P | Polyproline II helix | trans | -94 | 117.7 | -179.7 | -160 | -178.8 | -164.8 | -177.3 | 3 | 106.3 | M9 | R7-M9 PolarHBondContact O-N 3.49Š|
| 8 | L | 30.5 | Very low | 36 | Very low | 178 Ų | 178 | 173.8 Ų | 173.8 | 93% | 0.932 | 89% | 0.89 | S | S | * | * | P | Polyproline II helix | trans | -80 | 116.1 | 176.1 | -151.2 | 80.9 | 0 | 0 | 0 | 108 | ||
| 9 | M | 34 | Very low | 36 | Very low | 160 Ų | 160 | 171.7 Ų | 171.7 | 79% | 0.788 | 88% | 0.881 | S | S | * | * | trans | -112.9 | 117.7 | 166.2 | -67.1 | -137.4 | 80.2 | 0 | 0 | 108.3 | R7 K11 | R7-M9 PolarHBondContact O-N 3.49Å; M9-K11 PolarHBondContact O-N 2.66Å | ||
| 10 | S | 32.7 | Very low | 35.8 | Very low | 108 Ų | 108 | 171.6 Ų | 171.6 | 76% | 0.755 | 88% | 0.882 | S | S | * | * | trans | -73.5 | 113 | 170.7 | 51.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 11 | K | 36.6 | Very low | 36.1 | Very low | 209 Ų | 209 | 171.3 Ų | 171.3 | 91% | 0.909 | 88% | 0.882 | S | S | * | * | trans | -86.2 | 111 | 165.4 | -78.1 | -176.8 | 173.7 | -174.4 | 0 | 108.1 | M9 | M9-K11 PolarHBondContact O-N 2.66Š| ||
| 12 | L | 37.1 | Very low | 35.8 | Very low | 168 Ų | 168 | 170.1 Ų | 170.1 | 88% | 0.88 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 130.3 | 163.7 | -79.1 | 158.1 | 0 | 0 | 0 | 107.9 | ||
| 13 | G | 36.4 | Very low | 35.5 | Very low | 81 Ų | 81 | 163.2 Ų | 163.2 | 84% | 0.835 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 135.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 14 | D | 34.5 | Very low | 35.4 | Very low | 156 Ų | 156 | 158.9 Ų | 158.9 | 83% | 0.834 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 121.1 | 171.9 | -167.2 | 9.8 | 0 | 0 | 0 | 107.9 | ||
| 15 | S | 41.7 | Very low | 35.1 | Very low | 128 Ų | 128 | 153.6 Ų | 153.6 | 90% | 0.895 | 84% | 0.837 | S | S | * | * | trans | -98.7 | 78.7 | 169.4 | 61.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 16 | G | 35.8 | Very low | 34.9 | Very low | 58 Ų | 58 | 151.2 Ų | 151.2 | 60% | 0.598 | 83% | 0.833 | S | S | * | * | trans | -118.1 | 121 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | E18 | G16-E18 PolarHBondContact O-N 3.12Š| ||
| 17 | F | 36.2 | Very low | 34.9 | Very low | 200 Ų | 200 | 146.9 Ų | 146.9 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -79.1 | 111.2 | 175.8 | -158.8 | -89.4 | 0 | 0 | 0 | 107.2 | ||||
| 18 | E | 37.9 | Very low | 34.9 | Very low | 190 Ų | 190 | 142 Ų | 142 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -131.2 | 139.2 | 163.8 | -77.5 | -159.1 | 144.9 | 0 | 0 | 110.3 | G16 | G16-E18 PolarHBondContact O-N 3.12Š| ||
| 19 | D | 36 | Very low | 35.1 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 72% | 0.717 | 82% | 0.82 | S | S | * | * | trans | -66.6 | 136.9 | -170.8 | -70.6 | -54.2 | 0 | 0 | 0 | 114 | ||||
| 20 | D | 31.3 | Very low | 34.8 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | -130.4 | 98.9 | 158.6 | -92.3 | -32.6 | 0 | 0 | 0 | 109.8 | ||||
| 21 | L | 41.3 | Very low | 34.8 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | trans | -92.3 | 99 | 168 | -76.9 | 172.2 | 0 | 0 | 0 | 110.3 | ||||
| 22 | V | 32.4 | Very low | 34.5 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | -151.1 | 106.1 | 151.2 | -174.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 23 | S | 32.1 | Very low | 34.3 | Very low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | trans | 52.2 | 105 | 142.3 | -52.7 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 24 | S | 33.9 | Very low | 34 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 61.5 | 141.5 | 134.6 | -80.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 25 | P | 30.8 | Very low | 33.9 | Very low | 126 Ų | 126 | 143 Ų | 143 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | -140.5 | 163.1 | 54.9 | 32.5 | -10.4 | 0 | 0 | 0 | 117.9 | |||||
| 26 | I | 36.3 | Very low | 33.3 | Very low | 158 Ų | 158 | 145.1 Ų | 145.1 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 130.9 | -176.9 | -59.2 | 156.7 | 0 | 0 | 0 | 113.8 | ||
| 27 | P | 34.4 | Very low | 33 | Very low | 108 Ų | 108 | 150.2 Ų | 150.2 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 153.6 | 165.1 | 28.1 | -19.3 | 0 | 0 | 0 | 112.3 | ||
| 28 | P | 30.7 | Very low | 32.6 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 147.5 | -170.4 | 30.5 | -33.5 | 0 | 0 | 0 | 112 | C30 | P28-C30 PolarHBondContact O-N 3.26Š|
| 29 | R | 34.8 | Very low | 32.5 | Very low | 249 Ų | 249 | 143.8 Ų | 143.8 | 94% | 0.94 | 80% | 0.802 | S | S | * | * | trans | -51.4 | 108 | 174.7 | -84 | 177 | 164.3 | 168.9 | -3.8 | 111.2 | ||||
| 30 | C | 27.2 | Very low | 32.2 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | -95.1 | 107.4 | 159.1 | -155.9 | 0 | 0 | 0 | 0 | 108.3 | P28 T32 | P28-C30 PolarHBondContact O-N 3.26Å; C30-T32 PolarHBondContact O-N 3.09Å | ||
| 31 | R | 32.9 | Very low | 32.5 | Very low | 234 Ų | 234 | 146.1 Ų | 146.1 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -77.7 | 108 | 163.2 | -82.6 | -178.5 | 171.9 | 172.5 | -3.2 | 107.5 | ||||
| 32 | T | 31.1 | Very low | 32.2 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -138.4 | 127.1 | 151.5 | 25.7 | 0 | 0 | 0 | 0 | 106.7 | C30 A34 | C30-T32 PolarHBondContact O-N 3.09Å; T32-A34 PolarHBondContact O-N 2.99Å | ||
| 33 | N | 32.7 | Very low | 32.4 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -61 | 99.9 | -172.5 | -65.5 | -29.1 | 0 | 0 | 0 | 110.3 | S35 | N33-S35 PolarHBondContact O-N 3.08Š| ||
| 34 | A | 30 | Very low | 32.7 | Very low | 93 Ų | 93 | 146 Ų | 146 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -80.3 | 97.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | T32 Q36 | T32-A34 PolarHBondContact O-N 2.99Å; A34-Q36 PolarHBondContact O-N 2.8Å | ||
| 35 | S | 31.9 | Very low | 33 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -56.9 | 119.4 | 159.3 | 48.9 | 0 | 0 | 0 | 0 | 107 | N33 L37 | N33-S35 PolarHBondContact O-N 3.08Å; S35-L37 PolarHBondContact O-N 2.71Å | ||
| 36 | Q | 30.1 | Very low | 33.8 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -51.7 | 105.9 | 171.8 | -67.7 | 167.6 | -59.8 | 0 | 0 | 108.3 | A34 E38 | A34-Q36 PolarHBondContact O-N 2.8Å; Q36-E38 HydrophobicContact CB-CG 4.45Å; Q36-E38 PolarHBondContact O-N 3.07Å | ||
| 37 | L | 29.5 | Very low | 34.7 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | trans | -79.6 | 88 | 153.1 | -92.7 | 148.9 | 0 | 0 | 0 | 104.2 | S35 S39 | S35-L37 PolarHBondContact O-N 2.71Å; L37-S39 VanDerWaalsContact C-N 3.3Å; L37-S39 PolarHBondContact O-N 3.17Å | ||
| 38 | E | 27.6 | Very low | 35.8 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | -55.9 | 104.6 | 157.8 | -70.4 | 179.1 | 160 | 0 | 0 | 105.6 | Q36 E40 | Q36-E38 HydrophobicContact CB-CG 4.45Å; Q36-E38 PolarHBondContact O-N 3.07Å; E38-E40 PolarHBondContact O-N 3.29Å | ||
| 39 | S | 34.9 | Very low | 37.3 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -65.6 | 91.7 | 161.7 | 47.2 | 0 | 0 | 0 | 0 | 105.7 | L37 E41 | L37-S39 VanDerWaalsContact C-N 3.3Å; L37-S39 PolarHBondContact O-N 3.17Å; S39-E41 PolarHBondContact O-N 3.46Å | ||
| 40 | E | 29.8 | Very low | 38.6 | Very low | 172 Ų | 172 | 125.9 Ų | 125.9 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | -57.4 | 94.2 | 157.4 | -70.5 | -175.4 | 161.7 | 0 | 0 | 106 | E38 S42 | E38-E40 PolarHBondContact O-N 3.29Å; E40-S42 PolarHBondContact O-N 2.89Å | ||
| 41 | E | 39 | Very low | 40.5 | Very low | 182 Ų | 182 | 127.6 Ų | 127.6 | 85% | 0.85 | 70% | 0.696 | S | S | * | * | trans | -63.4 | 85.6 | 156.9 | -76 | -174.8 | 160.9 | 0 | 0 | 105.9 | S39 E43 | S39-E41 PolarHBondContact O-N 3.46Å; E41-E43 PolarHBondContact O-N 3.42Å | ||
| 42 | S | 33.3 | Very low | 42.5 | Very low | 103 Ų | 103 | 124 Ų | 124 | 72% | 0.72 | 68% | 0.682 | S | S | * | * | trans | -59.8 | 110.2 | 166.7 | 56.2 | 0 | 0 | 0 | 0 | 106.7 | E40 S44 | E40-S42 PolarHBondContact O-N 2.89Å; S42-S44 PolarHBondContact O-N 2.93Å | ||
| 43 | E | 37.9 | Very low | 44.6 | Very low | 194 Ų | 194 | 119.2 Ų | 119.2 | 91% | 0.907 | 65% | 0.651 | S | S | * | * | trans | -42.8 | 114.9 | 166.8 | -71.7 | -178.3 | 150.2 | 0 | 0 | 108.2 | E41 A45 | E41-E43 PolarHBondContact O-N 3.42Å; E43-A45 PolarHBondContact O-N 3.39Å | ||
| 44 | S | 37.6 | Very low | 46.7 | Very low | 109 Ų | 109 | 116.8 Ų | 116.8 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | trans | -59.9 | 111.7 | -173.6 | 55.5 | 0 | 0 | 0 | 0 | 109.5 | S42 D46 | S42-S44 PolarHBondContact O-N 2.93Å; S44-D46 PolarHBondContact O-N 3.22Å | ||
| 45 | A | 41.4 | Very low | 49.3 | Very low | 66 Ų | 66 | 117.6 Ų | 117.6 | 55% | 0.545 | 63% | 0.625 | S | S | . | * | trans | -58 | 105.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108 | E43 G47 Q48 | E43-A45 PolarHBondContact O-N 3.39Å; A45-G47 VanDerWaalsContact C-N 3.35Å; A45-G47 PolarHBondContact O-N 3.42Å; A45-Q48 PolarHBondContact O-N 3.03Å | ||
| 46 | D | 47.1 | Very low | 51.9 | Low | 140 Ų | 140 | 118.8 Ų | 118.8 | 75% | 0.749 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 89.7 | -174.4 | -157.3 | -9.7 | 0 | 0 | 0 | 109.7 | S44 R215 | S44-D46 PolarHBondContact O-N 3.22Å; D46-R215 IonicContact OD1-CZ 2.68Å; D46-R215 IonicContact OD1-NH1 3.54Å; D46-R215 IonicContact OD1-NH2 2.67Å; D46-R215 PolarHBondContact OD1-NH2 2.68Å |
| 47 | G | 54.2 | Low | 54.7 | Low | 29 Ų | 29 | 110.9 Ų | 110.9 | 30% | 0.299 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 136.1 | -2.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | A45 F204 | A45-G47 VanDerWaalsContact C-N 3.35Å; A45-G47 PolarHBondContact O-N 3.42Å; G47-F204 WeakPolarHBondContact O-CE2 3.46Å |
| 48 | Q | 57.1 | Low | 57.6 | Low | 145 Ų | 145 | 107.2 Ų | 107.2 | 68% | 0.678 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 121.6 | 171 | -108.2 | 172.1 | -7.1 | 0 | 0 | 110.9 | A45 S50 F204 | A45-Q48 PolarHBondContact O-N 3.03Å; Q48-S50 PolarHBondContact O-N 3.37Å; Q48-F204 HydrophobicContact CG-CZ 4.44Å |
| 49 | L | 62.4 | Low | 60.7 | Low | 32 Ų | 32 | 103 Ų | 103 | 17% | 0.168 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 133.5 | 166.1 | -78.5 | 162.1 | 0 | 0 | 0 | 109.1 | H51 Y53 A201 | L49-H51 PolarHBondContact O-N 3.3Å; L49-Y53 HydrophobicContact CD2-CD1 4.47Å; L49-A201 VanDerWaalsContact CD1-CA 3.43Å; L49-A201 HydrophobicContact CD1-CB 3.36Å |
| 50 | S | 63.5 | Low | 63.4 | Low | 47 Ų | 47 | 99.1 Ų | 99.1 | 33% | 0.329 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 134.7 | -178.8 | 60.6 | 0 | 0 | 0 | 0 | 110.3 | Q48 W52 Y53 | Q48-S50 PolarHBondContact O-N 3.37Å; S50-W52 VanDerWaalsContact CB-CD1 3.44Å; S50-W52 PolarHBondContact O-N 3.46Å; S50-W52 VanDerWaalsContact O-N 3.1Å; S50-W52 VanDerWaalsContact OG-CD1 3.32Å; S50-W52 VanDerWaalsContact OG-CE2 3.25Å; S50-W52 PolarHBondContact OG-NE1 3.06Å; S50-Y53 WeakPolarHBondContact O-CB 3.2Å; S50-Y53 PolarHBondContact O-N 3.01Å; S50-Y53 WeakPolarHBondContact OG-CB 3.4Å |
| 51 | H | 66.6 | Low | 66.4 | Low | 148 Ų | 148 | 92.3 Ų | 92.3 | 69% | 0.685 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -54.3 | -34.2 | -178.4 | -178.2 | -85.8 | 0 | 0 | 0 | 112.5 | L49 Y53 Q55 | L49-H51 PolarHBondContact O-N 3.3Å; H51-Y53 VanDerWaalsContact C-N 3.32Å; H51-Y53 PolarHBondContact O-N 3.16Å; H51-Q55 PolarHBondContact O-N 2.61Å |
| 52 | W | 74.1 | Confident | 69 | Low | 158 Ų | 158 | 90.6 Ų | 90.6 | 60% | 0.598 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.2 | -32.6 | 177.2 | 73.1 | -103 | 0 | 0 | 0 | 112.8 | S50 Q55 Y56 | S50-W52 VanDerWaalsContact CB-CD1 3.44Å; S50-W52 PolarHBondContact O-N 3.46Å; S50-W52 VanDerWaalsContact O-N 3.1Å; S50-W52 VanDerWaalsContact OG-CD1 3.32Å; S50-W52 VanDerWaalsContact OG-CE2 3.25Å; S50-W52 PolarHBondContact OG-NE1 3.06Å; W52-Q55 PolarHBondContact O-N 3.08Å; W52-Y56 HydrophobicContact CB-CD2 4.44Å; W52-Y56 WeakPolarHBondContact O-CB 3.37Å; W52-Y56 WeakPolarHBondContact O-CD2 3.21Å; W52-Y56 PolarHBondContact O-N 2.91Å |
| 53 | Y | 75.6 | Confident | 71.9 | Confident | 20 Ų | 20 | 89.1 Ų | 89.1 | 8% | 0.078 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -70.2 | -40.9 | -176.9 | -176.6 | -84.9 | 0 | 0 | 0 | 110.9 | L49 S50 H51 Q55 G57 Y194 | L49-Y53 HydrophobicContact CD2-CD1 4.47Å; S50-Y53 WeakPolarHBondContact O-CB 3.2Å; S50-Y53 PolarHBondContact O-N 3.01Å; S50-Y53 WeakPolarHBondContact OG-CB 3.4Å; H51-Y53 VanDerWaalsContact C-N 3.32Å; H51-Y53 PolarHBondContact O-N 3.16Å; Y53-Q55 PolarHBondContact O-N 3.06Å; Y53-G57 WeakPolarHBondContact O-CA 3.06Å; Y53-G57 PolarHBondContact O-N 2.95Å; Y53-Y194 AromaticContact CE2-CD2 3.91Å; Y53-Y194 HydrophobicContact CE2-CD2 3.91Å; Y53-Y194 AromaticContact CZ-CD2 3.64Å; Y53-Y194 VanDerWaalsContact OH-C 3.28Å; Y53-Y194 WeakPolarHBondContact OH-CA 3.5Å; Y53-Y194 WeakPolarHBondContact OH-CD2 3.37Å; Y53-Y194 WeakPolarHBondContact OH-CE2 3.47Å; Y53-Y194 VanDerWaalsContact OH-CG 3.32Å; Y53-Y194 PolarHBondContact OH-O 2.67Å |
| 54 | L | 77.6 | Confident | 74.6 | Confident | 120 Ų | 120 | 81.9 Ų | 81.9 | 63% | 0.628 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.6 | -31.3 | 173.4 | -68.2 | 171.6 | 0 | 0 | 0 | 112.6 | ||
| 55 | Q | 83 | Confident | 77.3 | Confident | 109 Ų | 109 | 79.6 Ų | 79.6 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -88.8 | -36 | -176.3 | -170 | 174.9 | 6.5 | 0 | 0 | 113.4 | H51 W52 Y53 | H51-Q55 PolarHBondContact O-N 2.61Å; W52-Q55 PolarHBondContact O-N 3.08Å; Y53-Q55 PolarHBondContact O-N 3.06Å |
| 56 | Y | 88.1 | Confident | 79.7 | Confident | 130 Ų | 130 | 83 Ų | 83 | 51% | 0.51 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -125.5 | -4.7 | -169.9 | -59 | -74.2 | 0 | 0 | 0 | 114.3 | W52 D58 V59 G60 | W52-Y56 HydrophobicContact CB-CD2 4.44Å; W52-Y56 WeakPolarHBondContact O-CB 3.37Å; W52-Y56 WeakPolarHBondContact O-CD2 3.21Å; W52-Y56 PolarHBondContact O-N 2.91Å; Y56-D58 PolarHBondContact O-N 3.27Å; Y56-V59 PolarHBondContact O-N 2.82Å; Y56-G60 PolarHBondContact O-N 2.9Å |
| 57 | G | 88.2 | Confident | 82 | Confident | 5 Ų | 5 | 79.8 Ų | 79.8 | 5% | 0.052 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -55.8 | -50.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y53 V59 G60 F61 Y194 | Y53-G57 WeakPolarHBondContact O-CA 3.06Å; Y53-G57 PolarHBondContact O-N 2.95Å; G57-V59 VanDerWaalsContact C-N 3.35Å; G57-V59 PolarHBondContact O-N 3.08Å; G57-G60 PolarHBondContact O-N 3.49Å; G57-F61 WeakPolarHBondContact O-CB 3.49Å; G57-F61 PolarHBondContact O-N 3.1Å; G57-Y194 WeakPolarHBondContact O-CE2 3.38Å |
| 58 | D | 90.1 | Very high | 83.9 | Confident | 88 Ų | 88 | 78.9 Ų | 78.9 | 47% | 0.471 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66 | -36.5 | -180 | -66 | -21.7 | 0 | 0 | 0 | 112.8 | Y56 F61 R62 Y194 | Y56-D58 PolarHBondContact O-N 3.27Å; D58-F61 PolarHBondContact O-N 3.36Å; D58-R62 WeakPolarHBondContact O-CG 3.42Å; D58-R62 PolarHBondContact O-N 2.94Å; D58-Y194 PolarHBondContact OD1-OH 3.31Å |
| 59 | V | 92.8 | Very high | 85.5 | Confident | 61 Ų | 61 | 76.7 Ų | 76.7 | 37% | 0.37 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.3 | -46.9 | 175.5 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | Y56 G57 F61 R62 I63 | Y56-V59 PolarHBondContact O-N 2.82Å; G57-V59 VanDerWaalsContact C-N 3.35Å; G57-V59 PolarHBondContact O-N 3.08Å; V59-F61 VanDerWaalsContact C-N 3.34Å; V59-F61 PolarHBondContact O-N 3.15Å; V59-R62 PolarHBondContact O-N 3.42Å; V59-I63 HydrophobicContact CG1-CD1 3.92Å; V59-I63 VanDerWaalsContact O-CG1 3.32Å; V59-I63 WeakPolarHBondContact O-CG1 3.34Å; V59-I63 PolarHBondContact O-N 3.12Å |
| 60 | G | 92.4 | Very high | 86.9 | Confident | 23 Ų | 23 | 80.2 Ų | 80.2 | 24% | 0.237 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y56 G57 I63 Q64 | Y56-G60 PolarHBondContact O-N 2.9Å; G57-G60 PolarHBondContact O-N 3.49Å; G60-I63 PolarHBondContact O-N 3.17Å; G60-Q64 WeakPolarHBondContact O-CG 3.49Å; G60-Q64 PolarHBondContact O-N 3.49Å |
| 61 | F | 92.7 | Very high | 88.3 | Confident | 30 Ų | 30 | 78.6 Ų | 78.6 | 13% | 0.132 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56.8 | -51.5 | 175.9 | 171.5 | -100 | 0 | 0 | 0 | 112 | G57 D58 V59 I63 Q64 R65 F191 Y194 F195 | G57-F61 WeakPolarHBondContact O-CB 3.49Å; G57-F61 PolarHBondContact O-N 3.1Å; D58-F61 PolarHBondContact O-N 3.36Å; V59-F61 VanDerWaalsContact C-N 3.34Å; V59-F61 PolarHBondContact O-N 3.15Å; F61-I63 PolarHBondContact O-N 3.49Å; F61-Q64 PolarHBondContact O-N 3.36Å; F61-R65 HydrophobicContact CD1-CG 4.2Å; F61-R65 HydrophobicContact CD2-CG 4.1Å; F61-R65 HydrophobicContact CE1-CG 3.8Å; F61-R65 HydrophobicContact CE2-CG 3.68Å; F61-R65 HydrophobicContact CG-CG 4.34Å; F61-R65 HydrophobicContact CZ-CG 3.53Å; F61-R65 WeakPolarHBondContact O-CB 3.39Å; F61-R65 VanDerWaalsContact O-CG 3.28Å; F61-R65 WeakPolarHBondContact O-CG 3.44Å; F61-R65 PolarHBondContact O-N 3.35Å; F61-F191 AromaticContact CD2-CD1 3.86Å; F61-F191 HydrophobicContact CD2-CD1 3.86Å; F61-F191 AromaticContact CD2-CE1 3.85Å; F61-F191 HydrophobicContact CD2-CE1 3.85Å; F61-F191 AromaticContact CE2-CD1 3.88Å; F61-F191 HydrophobicContact CE2-CD1 3.88Å; F61-F191 AromaticContact CE2-CE1 3.92Å; F61-F191 HydrophobicContact CE2-CE1 3.92Å; F61-Y194 HydrophobicContact CB-CD1 4.27Å; F61-Y194 HydrophobicContact CB-CD2 3.86Å; F61-Y194 HydrophobicContact CB-CE1 3.95Å; F61-Y194 HydrophobicContact CB-CE2 3.59Å; F61-Y194 HydrophobicContact CB-CG 4.23Å; F61-Y194 HydrophobicContact CD1-CE1 4.24Å; F61-Y194 AromaticContact CD2-CD1 3.47Å; F61-Y194 HydrophobicContact CD2-CD1 3.47Å; F61-Y194 VanDerWaalsContact CD2-CD1 3.47Å; F61-Y194 AromaticContact CD2-CE1 3.41Å; F61-Y194 HydrophobicContact CD2-CE1 3.41Å; F61-Y194 VanDerWaalsContact CD2-CE1 3.41Å; F61-Y194 HydrophobicContact CD2-CG 4.06Å; F61-Y194 HydrophobicContact CE2-CD1 4.05Å; F61-Y194 AromaticContact CE2-CE1 3.91Å; F61-Y194 HydrophobicContact CE2-CE1 3.91Å; F61-Y194 HydrophobicContact CG-CD1 4.04Å; F61-Y194 HydrophobicContact CG-CD2 4.49Å; F61-Y194 AromaticContact CG-CE1 3.6Å; F61-Y194 HydrophobicContact CG-CE1 3.6Å; F61-Y194 HydrophobicContact CG-CE2 4.18Å; F61-Y194 HydrophobicContact CG-CG 4.47Å; F61-Y194 AromaticContact CG-CZ 3.7Å; F61-F195 HydrophobicContact CE2-CE1 4.17Å; F61-F195 AromaticContact CE2-CZ 3.87Å; F61-F195 HydrophobicContact CE2-CZ 3.87Å; F61-F195 HydrophobicContact CZ-CZ 4.45Å |
| 62 | R | 93.3 | Very high | 89.4 | Confident | 145 Ų | 145 | 74.1 Ų | 74.1 | 55% | 0.547 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 178.4 | -71.1 | -171.7 | -56.1 | -133.2 | 1.9 | 112 | D58 V59 Q64 R65 E66 | D58-R62 WeakPolarHBondContact O-CG 3.42Å; D58-R62 PolarHBondContact O-N 2.94Å; V59-R62 PolarHBondContact O-N 3.42Å; R62-Q64 VanDerWaalsContact C-N 3.33Å; R62-Q64 PolarHBondContact O-N 3.31Å; R62-R65 PolarHBondContact O-N 2.9Å; R62-E66 WeakPolarHBondContact O-CG 3.27Å; R62-E66 PolarHBondContact O-N 2.97Å |
| 63 | I | 94.3 | Very high | 89.7 | Confident | 72 Ų | 72 | 67.4 Ų | 67.4 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 178.2 | -68.9 | 167.5 | 0 | 0 | 0 | 111.3 | V59 G60 F61 K67 | V59-I63 HydrophobicContact CG1-CD1 3.92Å; V59-I63 VanDerWaalsContact O-CG1 3.32Å; V59-I63 WeakPolarHBondContact O-CG1 3.34Å; V59-I63 PolarHBondContact O-N 3.12Å; G60-I63 PolarHBondContact O-N 3.17Å; F61-I63 PolarHBondContact O-N 3.49Å; I63-K67 HydrophobicContact CG2-CD 4.24Å; I63-K67 VanDerWaalsContact O-CG 3.32Å; I63-K67 WeakPolarHBondContact O-CG 3.45Å; I63-K67 PolarHBondContact O-N 2.99Å |
| 64 | Q | 94.9 | Very high | 89.7 | Confident | 43 Ų | 43 | 69.7 Ų | 69.7 | 20% | 0.201 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.8 | -40.4 | 179.6 | -67.9 | -64.5 | -8.6 | 0 | 0 | 111.5 | G60 F61 R62 K67 E68 P186 F190 F191 | G60-Q64 WeakPolarHBondContact O-CG 3.49Å; G60-Q64 PolarHBondContact O-N 3.49Å; F61-Q64 PolarHBondContact O-N 3.36Å; R62-Q64 VanDerWaalsContact C-N 3.33Å; R62-Q64 PolarHBondContact O-N 3.31Å; Q64-K67 PolarHBondContact O-N 3.45Å; Q64-E68 PolarHBondContact O-N 3.35Å; Q64-P186 HydrophobicContact CB-CB 4.31Å; Q64-P186 WeakPolarHBondContact O-CG 3.36Å; Q64-F190 HydrophobicContact CB-CD1 3.9Å; Q64-F190 HydrophobicContact CB-CE1 3.64Å; Q64-F190 HydrophobicContact CB-CZ 4.28Å; Q64-F190 HydrophobicContact CG-CD1 3.72Å; Q64-F190 HydrophobicContact CG-CD2 4.32Å; Q64-F190 HydrophobicContact CG-CE1 3.45Å; Q64-F190 VanDerWaalsContact CG-CE1 3.45Å; Q64-F190 HydrophobicContact CG-CE2 4.07Å; Q64-F190 HydrophobicContact CG-CG 4.17Å; Q64-F190 HydrophobicContact CG-CZ 3.64Å; Q64-F191 HydrophobicContact CB-CE1 4.04Å; Q64-F191 HydrophobicContact CB-CZ 3.77Å |
| 65 | R | 93.4 | Very high | 90 | Very high | 61 Ų | 61 | 70.7 Ų | 70.7 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.1 | -48.8 | 174.6 | -75.9 | -74.3 | -70.7 | 151.9 | -6.2 | 112.4 | F61 R62 K67 E68 F191 S240 H268 | F61-R65 HydrophobicContact CD1-CG 4.2Å; F61-R65 HydrophobicContact CD2-CG 4.1Å; F61-R65 HydrophobicContact CE1-CG 3.8Å; F61-R65 HydrophobicContact CE2-CG 3.68Å; F61-R65 HydrophobicContact CG-CG 4.34Å; F61-R65 HydrophobicContact CZ-CG 3.53Å; F61-R65 WeakPolarHBondContact O-CB 3.39Å; F61-R65 VanDerWaalsContact O-CG 3.28Å; F61-R65 WeakPolarHBondContact O-CG 3.44Å; F61-R65 PolarHBondContact O-N 3.35Å; R62-R65 PolarHBondContact O-N 2.9Å; R65-K67 PolarHBondContact O-N 3.15Å; R65-E68 WeakPolarHBondContact CD-OE2 3.47Å; R65-E68 IonicContact CZ-OE2 3.7Å; R65-E68 IonicContact NE-OE2 3.22Å; R65-E68 IonicContact NH1-OE2 3.35Å; R65-E68 PolarHBondContact NH1-OE2 3.07Å; R65-E68 WeakPolarHBondContact O-CB 3.37Å; R65-E68 PolarHBondContact O-N 3.45Å; R65-E68 VanDerWaalsContact O-N 3.09Å; R65-F191 HydrophobicContact CG-CE1 3.8Å; R65-F191 HydrophobicContact CG-CZ 4.17Å; R65-S240 WeakPolarHBondContact CD-OG 3.49Å; R65-S240 PolarHBondContact NH1-OG 2.93Å; R65-H268 PolarHBondContact NH1-CE1 3.49Å; R65-H268 PolarHBondContact NH1-NE2 2.72Å; R65-H268 PolarHBondContact NH2-CE1 2.87Å; R65-H268 PolarHBondContact NH2-ND1 2.95Å |
| 66 | E | 93.4 | Very high | 90.3 | Very high | 136 Ų | 136 | 65.5 Ų | 65.5 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.1 | -30.7 | 178.7 | -73.7 | 171.5 | -171.4 | 0 | 0 | 112.7 | R62 | R62-E66 WeakPolarHBondContact O-CG 3.27Å; R62-E66 PolarHBondContact O-N 2.97Å |
| 67 | K | 94.4 | Very high | 90.6 | Very high | 74 Ų | 74 | 60.2 Ų | 60.2 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -79.3 | -19.6 | 178.6 | -73.9 | 173.2 | -177.5 | 176.7 | 0 | 113.4 | I63 Q64 R65 S69 Q70 F71 P186 | I63-K67 HydrophobicContact CG2-CD 4.24Å; I63-K67 VanDerWaalsContact O-CG 3.32Å; I63-K67 WeakPolarHBondContact O-CG 3.45Å; I63-K67 PolarHBondContact O-N 2.99Å; Q64-K67 PolarHBondContact O-N 3.45Å; R65-K67 PolarHBondContact O-N 3.15Å; K67-S69 VanDerWaalsContact C-N 3.3Å; K67-S69 PolarHBondContact O-N 2.87Å; K67-Q70 WeakPolarHBondContact O-CB 3.21Å; K67-Q70 PolarHBondContact O-N 2.92Å; K67-F71 HydrophobicContact CB-CD2 4.18Å; K67-F71 HydrophobicContact CB-CE2 4.29Å; K67-F71 WeakPolarHBondContact O-CD2 3.45Å; K67-F71 PolarHBondContact O-N 3.29Å; K67-P186 HydrophobicContact CB-CG 3.57Å |
| 68 | E | 93.4 | Very high | 90.7 | Very high | 9 Ų | 9 | 63.6 Ų | 63.6 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54.2 | -46.9 | -172 | -75.4 | -178.7 | 129.1 | 0 | 0 | 112.1 | Q64 R65 Q70 F71 H72 P186 F191 P239 S240 | Q64-E68 PolarHBondContact O-N 3.35Å; R65-E68 WeakPolarHBondContact CD-OE2 3.47Å; R65-E68 IonicContact CZ-OE2 3.7Å; R65-E68 IonicContact NE-OE2 3.22Å; R65-E68 IonicContact NH1-OE2 3.35Å; R65-E68 PolarHBondContact NH1-OE2 3.07Å; R65-E68 WeakPolarHBondContact O-CB 3.37Å; R65-E68 PolarHBondContact O-N 3.45Å; R65-E68 VanDerWaalsContact O-N 3.09Å; E68-Q70 PolarHBondContact O-N 3.12Å; E68-F71 CarbonylContact O-C 3.53Å; E68-F71 PolarHBondContact O-N 3.29Å; E68-F71 VanDerWaalsContact O-N 3.09Å; E68-H72 WeakPolarHBondContact O-CB 3.27Å; E68-H72 PolarHBondContact O-N 2.87Å; E68-P186 HydrophobicContact CG-CB 3.87Å; E68-P186 HydrophobicContact CG-CG 4.07Å; E68-F191 HydrophobicContact CG-CE2 4Å; E68-F191 HydrophobicContact CG-CZ 4.02Å; E68-F191 WeakPolarHBondContact OE1-CE2 3.26Å; E68-P239 WeakPolarHBondContact OE1-CD 3.47Å; E68-S240 WeakPolarHBondContact OE1-CB 3.5Å; E68-S240 PolarHBondContact OE1-N 3.22Å; E68-S240 PolarHBondContact OE1-OG 2.89Å; E68-S240 PolarHBondContact OE2-OG 3.44Å |
| 69 | S | 91.4 | Very high | 90.6 | Very high | 99 Ų | 99 | 68.4 Ų | 68.4 | 69% | 0.692 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57.7 | -32.1 | 178.8 | 63.1 | 0 | 0 | 0 | 0 | 113.6 | K67 F71 | K67-S69 VanDerWaalsContact C-N 3.3Å; K67-S69 PolarHBondContact O-N 2.87Å; S69-F71 VanDerWaalsContact C-N 3.35Å |
| 70 | Q | 92.1 | Very high | 90.7 | Very high | 106 Ų | 106 | 66.3 Ų | 66.3 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -79.3 | -20.9 | -177.7 | -51.7 | 179 | 27.5 | 0 | 0 | 112.8 | K67 E68 | K67-Q70 WeakPolarHBondContact O-CB 3.21Å; K67-Q70 PolarHBondContact O-N 2.92Å; E68-Q70 PolarHBondContact O-N 3.12Å |
| 71 | F | 93.5 | Very high | 90.6 | Very high | 14 Ų | 14 | 70.2 Ų | 70.2 | 6% | 0.061 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -115.9 | 4.2 | -176.5 | -71.3 | -90.9 | 0 | 0 | 0 | 112.8 | K67 E68 S69 P73 N114 R182 A184 S185 | K67-F71 HydrophobicContact CB-CD2 4.18Å; K67-F71 HydrophobicContact CB-CE2 4.29Å; K67-F71 WeakPolarHBondContact O-CD2 3.45Å; K67-F71 PolarHBondContact O-N 3.29Å; E68-F71 CarbonylContact O-C 3.53Å; E68-F71 PolarHBondContact O-N 3.29Å; E68-F71 VanDerWaalsContact O-N 3.09Å; S69-F71 VanDerWaalsContact C-N 3.35Å; F71-P73 VanDerWaalsContact O-CD 3.24Å; F71-P73 WeakPolarHBondContact O-CD 3.46Å; F71-N114 PolarHBondContact O-ND2 3.45Å; F71-R182 HydrophobicContact CE1-CB 4Å; F71-R182 WeakPolarHBondContact CE1-O 3.48Å; F71-R182 HydrophobicContact CZ-CB 4.24Å; F71-A184 WeakPolarHBondContact CZ-O 3.34Å; F71-S185 VanDerWaalsContact CD1-CB 3.47Å |
| 72 | H | 89.6 | Confident | 90.6 | Very high | 53 Ų | 53 | 73.9 Ų | 73.9 | 25% | 0.245 | 37% | 0.37 | C | S | . | . | trans | -73.6 | 112 | -177.2 | -162.5 | 69.6 | 0 | 0 | 0 | 110.6 | E68 C74 N235 Y237 | E68-H72 WeakPolarHBondContact O-CB 3.27Å; E68-H72 PolarHBondContact O-N 2.87Å; H72-C74 PolarHBondContact CD2-SG 3.4Å; H72-C74 PolarHBondContact NE2-SG 2.66Å; H72-C74 PolarHBondContact O-N 3.03Å; H72-N235 PolarHBondContact CE1-O 3.19Å; H72-N235 PolarHBondContact NE2-O 3.22Å; H72-Y237 PolarHBondContact CE1-O 2.79Å | ||
| 73 | P | 80.4 | Confident | 90.7 | Very high | 17 Ų | 17 | 67.5 Ų | 67.5 | 11% | 0.11 | 35% | 0.347 | C | S | . | . | trans | -85 | 53.9 | -176.3 | 36.2 | -33.8 | 0 | 0 | 0 | 111.7 | F71 Q75 S76 D117 R118 | F71-P73 VanDerWaalsContact O-CD 3.24Å; F71-P73 WeakPolarHBondContact O-CD 3.46Å; P73-Q75 PolarHBondContact O-N 3.07Å; P73-S76 PolarHBondContact O-N 2.88Å; P73-D117 HydrophobicContact CB-CB 3.56Å; P73-D117 HydrophobicContact CG-CB 3.76Å; P73-R118 HydrophobicContact CB-CG 3.86Å | ||
| 74 | C | 75.6 | Confident | 90.8 | Very high | 69 Ų | 69 | 67.8 Ų | 67.8 | 47% | 0.466 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 129.2 | 179.8 | -118.2 | 0 | 0 | 0 | 0 | 109.8 | H72 S76 | H72-C74 PolarHBondContact CD2-SG 3.4Å; H72-C74 PolarHBondContact NE2-SG 2.66Å; H72-C74 PolarHBondContact O-N 3.03Å; C74-S76 VanDerWaalsContact C-N 3.34Å; C74-S76 PolarHBondContact O-N 3.39Å |
| 75 | Q | 83.8 | Confident | 90.8 | Very high | 140 Ų | 140 | 67.8 Ų | 67.8 | 65% | 0.654 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 35.8 | 175.6 | -53.9 | 178.3 | -6.3 | 0 | 0 | 114.7 | P73 L77 A78 Y232 | P73-Q75 PolarHBondContact O-N 3.07Å; Q75-L77 PolarHBondContact O-N 2.98Å; Q75-A78 HydrophobicContact CB-CB 3.9Å; Q75-A78 WeakPolarHBondContact O-CB 3.08Å; Q75-A78 PolarHBondContact O-N 3.34Å; Q75-Y232 VanDerWaalsContact C-OH 3.27Å; Q75-Y232 WeakPolarHBondContact CA-OH 3.43Å |
| 76 | S | 89.7 | Confident | 90.9 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -24.2 | 178.3 | 60.3 | 0 | 0 | 0 | 0 | 115.6 | P73 C74 D117 L120 Y232 | P73-S76 PolarHBondContact O-N 2.88Å; C74-S76 VanDerWaalsContact C-N 3.34Å; C74-S76 PolarHBondContact O-N 3.39Å; S76-D117 WeakPolarHBondContact CB-O 3.33Å; S76-D117 PolarHBondContact OG-OD1 3.24Å; S76-L120 CarbonylContact O-C 3.53Å; S76-L120 VanDerWaalsContact O-C 3.24Å; S76-L120 WeakPolarHBondContact O-CB 3.46Å; S76-Y232 PolarHBondContact N-OH 3.5Å; S76-Y232 VanDerWaalsContact N-OH 3.1Å; S76-Y232 WeakPolarHBondContact OG-CE2 3.3Å; S76-Y232 PolarHBondContact OG-OH 3.28Å |
| 77 | L | 93.8 | Very high | 91 | Very high | 20 Ų | 20 | 63.8 Ų | 63.8 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -7.9 | 179.6 | -60.4 | -179.9 | 0 | 0 | 0 | 113.8 | Q75 R79 Q80 L83 A85 R88 L120 Y232 | Q75-L77 PolarHBondContact O-N 2.98Å; L77-R79 PolarHBondContact O-N 2.76Å; L77-R79 VanDerWaalsContact O-N 3.09Å; L77-Q80 HydrophobicContact CD2-CB 4.46Å; L77-Q80 HydrophobicContact CD2-CG 4.06Å; L77-Q80 WeakPolarHBondContact O-CB 3.46Å; L77-Q80 PolarHBondContact O-N 2.85Å; L77-L83 HydrophobicContact CD2-CB 4.23Å; L77-A85 HydrophobicContact CD1-CB 4.19Å; L77-R88 HydrophobicContact CD1-CB 4.34Å; L77-L120 HydrophobicContact CD2-CD1 3.97Å; L77-Y232 HydrophobicContact CB-CE1 4.32Å; L77-Y232 HydrophobicContact CD1-CD1 4.1Å; L77-Y232 HydrophobicContact CD1-CD2 4.04Å; L77-Y232 HydrophobicContact CD1-CE1 3.95Å; L77-Y232 HydrophobicContact CD1-CE2 3.89Å; L77-Y232 HydrophobicContact CD1-CG 4.14Å; L77-Y232 HydrophobicContact CG-CD2 4.49Å; L77-Y232 HydrophobicContact CG-CE1 4.3Å; L77-Y232 HydrophobicContact CG-CE2 3.88Å; L77-Y232 PolarHBondContact N-OH 3.23Å; L77-Y232 VanDerWaalsContact N-OH 3.08Å |
| 78 | A | 90.4 | Very high | 91.1 | Very high | 76 Ų | 76 | 60.3 Ų | 60.3 | 63% | 0.628 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q75 | Q75-A78 HydrophobicContact CB-CB 3.9Å; Q75-A78 WeakPolarHBondContact O-CB 3.08Å; Q75-A78 PolarHBondContact O-N 3.34Å |
| 79 | R | 87.3 | Confident | 91.3 | Very high | 189 Ų | 189 | 62 Ų | 62 | 71% | 0.713 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | 7 | 177.8 | -61 | -176.2 | -179.6 | -168.7 | -0.7 | 113.3 | L77 P81 | L77-R79 PolarHBondContact O-N 2.76Å; L77-R79 VanDerWaalsContact O-N 3.09Å; R79-P81 WeakPolarHBondContact O-CD 3.4Å |
| 80 | Q | 95 | Very high | 91.5 | Very high | 17 Ų | 17 | 63.3 Ų | 63.3 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | trans | -95.4 | 112 | -177 | -64.4 | -60.4 | -32 | 0 | 0 | 110.7 | L77 Q82 L83 L120 T123 | L77-Q80 HydrophobicContact CD2-CB 4.46Å; L77-Q80 HydrophobicContact CD2-CG 4.06Å; L77-Q80 WeakPolarHBondContact O-CB 3.46Å; L77-Q80 PolarHBondContact O-N 2.85Å; Q80-Q82 VanDerWaalsContact C-N 3.33Å; Q80-Q82 PolarHBondContact O-N 2.89Å; Q80-L83 HydrophobicContact CB-CB 3.9Å; Q80-L83 HydrophobicContact CB-CG 4.47Å; Q80-L83 HydrophobicContact CG-CB 4.33Å; Q80-L83 HydrophobicContact CG-CD1 4.3Å; Q80-L120 HydrophobicContact CG-CB 4.46Å; Q80-L120 HydrophobicContact CG-CD2 4.44Å; Q80-L120 PolarHBondContact NE2-O 3.2Å; Q80-T123 PolarHBondContact NE2-O 3.39Å | ||
| 81 | P | 90.9 | Very high | 91.7 | Very high | 104 Ų | 104 | 59 Ų | 59 | 68% | 0.675 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -74.6 | -24.4 | -178 | 27.8 | -32.8 | 0 | 0 | 0 | 113.2 | R79 | R79-P81 WeakPolarHBondContact O-CD 3.4Š|
| 82 | Q | 91.3 | Very high | 91.9 | Very high | 108 Ų | 108 | 58.3 Ų | 58.3 | 51% | 0.505 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -119.1 | -10.6 | -171.5 | -57.5 | 177.3 | 18.5 | 0 | 0 | 113.8 | Q80 T127 | Q80-Q82 VanDerWaalsContact C-N 3.33Å; Q80-Q82 PolarHBondContact O-N 2.89Å; Q82-T127 HydrophobicContact CB-CG2 3.74Å; Q82-T127 WeakPolarHBondContact O-CG2 3.35Å |
| 83 | L | 95.6 | Very high | 92.1 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.052 | 33% | 0.325 | C | S | . | . | trans | -104.6 | 133.1 | -176.3 | -57.8 | 178.3 | 0 | 0 | 0 | 111.1 | L77 Q80 L120 V125 T127 F130 | L77-L83 HydrophobicContact CD2-CB 4.23Å; Q80-L83 HydrophobicContact CB-CB 3.9Å; Q80-L83 HydrophobicContact CB-CG 4.47Å; Q80-L83 HydrophobicContact CG-CB 4.33Å; Q80-L83 HydrophobicContact CG-CD1 4.3Å; L83-L120 HydrophobicContact CD1-CD2 3.6Å; L83-V125 HydrophobicContact CD1-CB 4.03Å; L83-V125 HydrophobicContact CD1-CG1 4.33Å; L83-T127 HydrophobicContact CD2-CG2 3.86Å; L83-F130 HydrophobicContact CD1-CD2 3.77Å; L83-F130 HydrophobicContact CD1-CE2 4Å; L83-F130 HydrophobicContact CD1-CG 4.07Å; L83-F130 HydrophobicContact CD1-CZ 4.44Å; L83-F130 HydrophobicContact CD2-CB 3.99Å; L83-F130 HydrophobicContact CD2-CD1 3.82Å; L83-F130 HydrophobicContact CD2-CD2 4.35Å; L83-F130 HydrophobicContact CD2-CE1 4.39Å; L83-F130 HydrophobicContact CD2-CG 3.79Å | ||
| 84 | T | 96.1 | Very high | 92.9 | Very high | 78 Ų | 78 | 61.1 Ų | 61.1 | 48% | 0.479 | 33% | 0.333 | S | S | . | . | trans | -109.3 | 163.2 | 178.8 | 65.2 | 0 | 0 | 0 | 0 | 111 | D86 A87 R88 | T84-D86 PolarHBondContact O-N 3.37Å; T84-A87 PolarHBondContact O-N 3.15Å; T84-A87 PolarHBondContact OG1-N 3.35Å; T84-A87 VanDerWaalsContact OG1-N 3.12Å; T84-R88 PolarHBondContact O-N 3.09Å | ||
| 85 | A | 95.9 | Very high | 93.9 | Very high | 43 Ų | 43 | 58 Ų | 58 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.3 | -35.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | L77 R88 C89 Y232 | L77-A85 HydrophobicContact CD1-CB 4.19Å; A85-R88 PolarHBondContact O-N 3.06Å; A85-C89 WeakPolarHBondContact O-CB 3.37Å; A85-C89 PolarHBondContact O-N 3.43Å; A85-Y232 HydrophobicContact CB-CD1 3.87Å; A85-Y232 HydrophobicContact CB-CG 4.06Å |
| 86 | D | 95.5 | Very high | 94.5 | Very high | 88 Ų | 88 | 52.3 Ų | 52.3 | 47% | 0.471 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 174.9 | 172.9 | 71 | 0 | 0 | 0 | 112.3 | T84 R88 C89 K90 | T84-D86 PolarHBondContact O-N 3.37Å; D86-R88 VanDerWaalsContact C-N 3.32Å; D86-R88 PolarHBondContact O-N 2.97Å; D86-C89 PolarHBondContact O-N 3.23Å; D86-K90 WeakPolarHBondContact O-CG 3.49Å; D86-K90 PolarHBondContact O-N 3Å; D86-K90 WeakPolarHBondContact OD1-CE 3.44Å; D86-K90 IonicContact OD1-NZ 3.38Å; D86-K90 WeakPolarHBondContact OD2-CE 3.45Å; D86-K90 IonicContact OD2-NZ 3.77Å; D86-K90 PolarHBondContact OD2-NZ 2.89Å |
| 87 | A | 95.6 | Very high | 94.7 | Very high | 26 Ų | 26 | 55.6 Ų | 55.6 | 22% | 0.215 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T84 K90 L91 F130 | T84-A87 PolarHBondContact O-N 3.15Å; T84-A87 PolarHBondContact OG1-N 3.35Å; T84-A87 VanDerWaalsContact OG1-N 3.12Å; A87-K90 PolarHBondContact O-N 3.27Å; A87-L91 PolarHBondContact O-N 3.35Å; A87-F130 HydrophobicContact CB-CE1 4.36Å |
| 88 | R | 97.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 174 | -177.2 | -169.2 | 172.2 | -80.2 | 1.2 | 111.4 | L77 T84 A85 D86 K90 L91 V92 V113 M116 D117 F130 L229 A230 N235 | L77-R88 HydrophobicContact CD1-CB 4.34Å; T84-R88 PolarHBondContact O-N 3.09Å; A85-R88 PolarHBondContact O-N 3.06Å; D86-R88 VanDerWaalsContact C-N 3.32Å; D86-R88 PolarHBondContact O-N 2.97Å; R88-K90 VanDerWaalsContact C-N 3.31Å; R88-K90 PolarHBondContact O-N 2.86Å; R88-L91 PolarHBondContact O-N 3.28Å; R88-V92 HydrophobicContact CG-CG2 4.24Å; R88-V92 WeakPolarHBondContact O-CG2 3.49Å; R88-V92 PolarHBondContact O-N 3.04Å; R88-V113 VanDerWaalsContact NH2-CG1 3.26Å; R88-M116 HydrophobicContact CG-CE 4.14Å; R88-D117 IonicContact CZ-OD1 2.69Å; R88-D117 IonicContact CZ-OD2 2.66Å; R88-D117 IonicContact NE-OD1 3.33Å; R88-D117 PolarHBondContact NE-OD1 3.26Å; R88-D117 IonicContact NE-OD2 3.62Å; R88-D117 PolarHBondContact NE-OD2 3.47Å; R88-D117 IonicContact NH2-OD1 3.57Å; R88-D117 IonicContact NH2-OD2 3.84Å; R88-D117 PolarHBondContact NH2-OD2 2.65Å; R88-F130 HydrophobicContact CB-CZ 4.26Å; R88-L229 PolarHBondContact NH1-O 2.99Å; R88-L229 PolarHBondContact NH2-O 3.29Å; R88-L229 VanDerWaalsContact NH2-O 3.11Å; R88-A230 PolarHBondContact NH1-O 3.49Å; R88-N235 PolarHBondContact NH2-OD1 3.27Å |
| 89 | C | 96.2 | Very high | 95 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 29% | 0.291 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.3 | -44.9 | 179 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | A85 D86 S93 A230 | A85-C89 WeakPolarHBondContact O-CB 3.37Å; A85-C89 PolarHBondContact O-N 3.43Å; D86-C89 PolarHBondContact O-N 3.23Å; C89-S93 WeakPolarHBondContact O-CB 3.08Å; C89-S93 PolarHBondContact O-N 3.16Å; C89-S93 PolarHBondContact O-OG 3.17Å; C89-A230 WeakPolarHBondContact CA-O 3.21Å; C89-A230 WeakPolarHBondContact CB-O 3.49Å |
| 90 | K | 95.3 | Very high | 95.3 | Very high | 128 Ų | 128 | 45.6 Ų | 45.6 | 56% | 0.557 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.1 | -47.1 | 175.4 | -73.7 | 168 | 177.9 | 165.3 | 0 | 112.1 | D86 A87 R88 W94 | D86-K90 WeakPolarHBondContact O-CG 3.49Å; D86-K90 PolarHBondContact O-N 3Å; D86-K90 WeakPolarHBondContact OD1-CE 3.44Å; D86-K90 IonicContact OD1-NZ 3.38Å; D86-K90 WeakPolarHBondContact OD2-CE 3.45Å; D86-K90 IonicContact OD2-NZ 3.77Å; D86-K90 PolarHBondContact OD2-NZ 2.89Å; A87-K90 PolarHBondContact O-N 3.27Å; R88-K90 VanDerWaalsContact C-N 3.31Å; R88-K90 PolarHBondContact O-N 2.86Å; K90-W94 WeakPolarHBondContact O-CB 3.36Å; K90-W94 PolarHBondContact O-N 3.4Å |
| 91 | L | 96.9 | Very high | 95.3 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.073 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.9 | -47 | 179.7 | -178 | 64.3 | 0 | 0 | 0 | 111.9 | A87 R88 W94 L95 M116 F130 Q131 | A87-L91 PolarHBondContact O-N 3.35Å; R88-L91 PolarHBondContact O-N 3.28Å; L91-W94 HydrophobicContact CD1-CE3 3.75Å; L91-W94 HydrophobicContact CD1-CZ3 4.07Å; L91-W94 CarbonylContact O-C 3.24Å; L91-W94 WeakPolarHBondContact O-CB 3.47Å; L91-W94 PolarHBondContact O-N 3.15Å; L91-W94 VanDerWaalsContact O-N 3.17Å; L91-L95 HydrophobicContact CG-CD1 4.24Å; L91-L95 WeakPolarHBondContact O-CG 3.4Å; L91-L95 PolarHBondContact O-N 3.09Å; L91-M116 HydrophobicContact CD2-SD 3.68Å; L91-F130 HydrophobicContact CB-CD1 4.34Å; L91-F130 HydrophobicContact CB-CE1 3.83Å; L91-F130 HydrophobicContact CB-CZ 4.26Å; L91-F130 HydrophobicContact CD2-CD1 3.78Å; L91-F130 HydrophobicContact CD2-CD2 3.81Å; L91-F130 HydrophobicContact CD2-CE1 3.58Å; L91-F130 HydrophobicContact CD2-CE2 3.58Å; L91-F130 HydrophobicContact CD2-CG 3.9Å; L91-F130 HydrophobicContact CD2-CZ 3.48Å; L91-F130 VanDerWaalsContact CD2-CZ 3.48Å; L91-F130 WeakPolarHBondContact CD2-O 3.32Å; L91-F130 HydrophobicContact CG-CE1 4.35Å; L91-Q131 HydrophobicContact CD1-CB 4.41Å; L91-Q131 HydrophobicContact CD1-CG 4.22Å |
| 92 | V | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 179.3 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | R88 W94 L95 I96 V113 M116 L229 A230 | R88-V92 HydrophobicContact CG-CG2 4.24Å; R88-V92 WeakPolarHBondContact O-CG2 3.49Å; R88-V92 PolarHBondContact O-N 3.04Å; V92-W94 PolarHBondContact O-N 3.16Å; V92-L95 PolarHBondContact O-N 3.5Å; V92-I96 HydrophobicContact CG1-CD1 4.28Å; V92-I96 HydrophobicContact CG1-CG1 4.49Å; V92-I96 WeakPolarHBondContact O-CG1 3.32Å; V92-I96 PolarHBondContact O-N 3.38Å; V92-V113 HydrophobicContact CG1-CG2 3.85Å; V92-V113 HydrophobicContact CG2-CG2 4.22Å; V92-M116 HydrophobicContact CG2-CE 3.6Å; V92-L229 HydrophobicContact CG1-CB 4.05Å; V92-A230 HydrophobicContact CB-CB 4.25Å; V92-A230 HydrophobicContact CG1-CB 4.04Å |
| 93 | S | 94.8 | Very high | 95.6 | Very high | 57 Ų | 57 | 49 Ų | 49 | 40% | 0.399 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.6 | -28.8 | 174.8 | -66.7 | 0 | 0 | 0 | 0 | 112.5 | C89 P97 A230 | C89-S93 WeakPolarHBondContact O-CB 3.08Å; C89-S93 PolarHBondContact O-N 3.16Å; C89-S93 PolarHBondContact O-OG 3.17Å; S93-P97 WeakPolarHBondContact O-CD 3.22Å; S93-A230 WeakPolarHBondContact OG-CB 3.32Å |
| 94 | W | 96.1 | Very high | 95.7 | Very high | 73 Ų | 73 | 49.3 Ų | 49.3 | 28% | 0.277 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -78.8 | -37.1 | 170.1 | 172.7 | 80.7 | 0 | 0 | 0 | 112.9 | K90 L91 V92 I96 P97 V98 Q131 V135 L158 | K90-W94 WeakPolarHBondContact O-CB 3.36Å; K90-W94 PolarHBondContact O-N 3.4Å; L91-W94 HydrophobicContact CD1-CE3 3.75Å; L91-W94 HydrophobicContact CD1-CZ3 4.07Å; L91-W94 CarbonylContact O-C 3.24Å; L91-W94 WeakPolarHBondContact O-CB 3.47Å; L91-W94 PolarHBondContact O-N 3.15Å; L91-W94 VanDerWaalsContact O-N 3.17Å; V92-W94 PolarHBondContact O-N 3.16Å; W94-I96 VanDerWaalsContact C-N 3.33Å; W94-I96 PolarHBondContact O-N 3.03Å; W94-P97 WeakPolarHBondContact O-CD 3.43Å; W94-P97 VanDerWaalsContact O-CG 3.26Å; W94-P97 WeakPolarHBondContact O-CG 3Å; W94-V98 HydrophobicContact CD2-CG2 4.03Å; W94-V98 HydrophobicContact CE3-CG2 4.43Å; W94-V98 HydrophobicContact CH2-CG2 4.32Å; W94-V98 HydrophobicContact CZ2-CG2 3.9Å; W94-V98 VanDerWaalsContact O-CG2 3.22Å; W94-V98 WeakPolarHBondContact O-CG2 3.49Å; W94-V98 PolarHBondContact O-N 3.13Å; W94-Q131 HydrophobicContact CH2-CG 4.02Å; W94-Q131 HydrophobicContact CZ3-CG 3.99Å; W94-V135 HydrophobicContact CH2-CG1 3.57Å; W94-V135 HydrophobicContact CZ3-CG1 3.84Å; W94-L158 HydrophobicContact CH2-CB 4.15Å; W94-L158 HydrophobicContact CZ2-CB 3.97Å |
| 95 | L | 97.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.6 | -30.9 | 176.8 | -74.2 | 170.6 | 0 | 0 | 0 | 113.2 | L91 V92 V98 H99 T112 L138 | L91-L95 HydrophobicContact CG-CD1 4.24Å; L91-L95 WeakPolarHBondContact O-CG 3.4Å; L91-L95 PolarHBondContact O-N 3.09Å; V92-L95 PolarHBondContact O-N 3.5Å; L95-V98 PolarHBondContact O-N 3.27Å; L95-H99 PolarHBondContact O-N 2.72Å; L95-T112 HydrophobicContact CD1-CG2 4.08Å; L95-L138 HydrophobicContact CD2-CD2 4.4Å |
| 96 | I | 95.2 | Very high | 95.8 | Very high | 19 Ų | 19 | 46.4 Ų | 46.4 | 10% | 0.097 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.6 | -53.3 | 177.8 | -70.7 | 164.7 | 0 | 0 | 0 | 112.7 | V92 W94 V98 H99 K100 E226 A230 | V92-I96 HydrophobicContact CG1-CD1 4.28Å; V92-I96 HydrophobicContact CG1-CG1 4.49Å; V92-I96 WeakPolarHBondContact O-CG1 3.32Å; V92-I96 PolarHBondContact O-N 3.38Å; W94-I96 VanDerWaalsContact C-N 3.33Å; W94-I96 PolarHBondContact O-N 3.03Å; I96-V98 VanDerWaalsContact C-N 3.34Å; I96-H99 PolarHBondContact O-CD2 3.27Å; I96-H99 PolarHBondContact O-NE2 2.96Å; I96-H99 VanDerWaalsContact O-NE2 3.08Å; I96-K100 WeakPolarHBondContact O-CG 3.44Å; I96-E226 HydrophobicContact CD1-CB 4.41Å; I96-E226 VanDerWaalsContact CD1-O 3.31Å; I96-E226 WeakPolarHBondContact CD1-O 3.19Å; I96-A230 HydrophobicContact CD1-CB 4.49Å |
| 97 | P | 94.7 | Very high | 95.9 | Very high | 69 Ų | 69 | 44.7 Ų | 44.7 | 45% | 0.448 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.6 | -29.5 | 173.5 | 24.5 | -32.2 | 0 | 0 | 0 | 112.9 | S93 W94 K100 H101 | S93-P97 WeakPolarHBondContact O-CD 3.22Å; W94-P97 WeakPolarHBondContact O-CD 3.43Å; W94-P97 VanDerWaalsContact O-CG 3.26Å; W94-P97 WeakPolarHBondContact O-CG 3Å; P97-K100 PolarHBondContact O-N 2.83Å; P97-H101 PolarHBondContact O-N 3.5Å |
| 98 | V | 94.9 | Very high | 96.1 | Very high | 11 Ų | 11 | 43.5 Ų | 43.5 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.8 | -47.9 | 178.1 | 169.6 | 0 | 0 | 0 | 0 | 111.9 | W94 L95 I96 K100 H101 F102 L138 L158 | W94-V98 HydrophobicContact CD2-CG2 4.03Å; W94-V98 HydrophobicContact CE3-CG2 4.43Å; W94-V98 HydrophobicContact CH2-CG2 4.32Å; W94-V98 HydrophobicContact CZ2-CG2 3.9Å; W94-V98 VanDerWaalsContact O-CG2 3.22Å; W94-V98 WeakPolarHBondContact O-CG2 3.49Å; W94-V98 PolarHBondContact O-N 3.13Å; L95-V98 PolarHBondContact O-N 3.27Å; I96-V98 VanDerWaalsContact C-N 3.34Å; V98-K100 PolarHBondContact O-N 2.92Å; V98-H101 WeakPolarHBondContact O-CB 3.43Å; V98-H101 PolarHBondContact O-N 3.27Å; V98-H101 VanDerWaalsContact O-N 3.12Å; V98-F102 HydrophobicContact CG1-CD2 3.89Å; V98-F102 HydrophobicContact CG1-CE2 3.72Å; V98-F102 VanDerWaalsContact O-CD2 3.25Å; V98-F102 WeakPolarHBondContact O-CD2 3.42Å; V98-F102 PolarHBondContact O-N 3.5Å; V98-F102 VanDerWaalsContact O-N 3.16Å; V98-L138 HydrophobicContact CG1-CD2 3.75Å; V98-L158 HydrophobicContact CG1-CD1 3.63Å; V98-L158 HydrophobicContact CG2-CD1 4.49Å |
| 99 | H | 95.6 | Very high | 96.1 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 2% | 0.023 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.4 | -34.9 | 179.1 | 85.8 | 84.6 | 0 | 0 | 0 | 111.4 | L95 I96 F102 R103 L104 C109 L138 | L95-H99 PolarHBondContact O-N 2.72Å; I96-H99 PolarHBondContact O-CD2 3.27Å; I96-H99 PolarHBondContact O-NE2 2.96Å; I96-H99 VanDerWaalsContact O-NE2 3.08Å; H99-F102 CarbonylContact O-C 3.59Å; H99-F102 PolarHBondContact O-N 3.3Å; H99-R103 PolarHBondContact O-N 2.9Å; H99-R103 VanDerWaalsContact O-N 3.13Å; H99-L104 HydrophobicContact CB-CB 4.15Å; H99-L104 HydrophobicContact CB-CD1 4.26Å; H99-L104 PolarHBondContact ND1-O 3.44Å; H99-L104 PolarHBondContact O-N 3.19Å; H99-C109 HydrophobicContact CB-CB 4.47Å; H99-C109 PolarHBondContact CD2-SG 3.35Å; H99-L138 HydrophobicContact CB-CD1 4.12Å |
| 100 | K | 94.2 | Very high | 96.2 | Very high | 60 Ų | 60 | 41.8 Ų | 41.8 | 26% | 0.261 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.8 | -38.3 | 175.5 | -67.3 | 171.6 | -175.7 | 159.5 | 0 | 112.3 | I96 P97 V98 F102 R103 E226 | I96-K100 WeakPolarHBondContact O-CG 3.44Å; P97-K100 PolarHBondContact O-N 2.83Å; V98-K100 PolarHBondContact O-N 2.92Å; K100-F102 VanDerWaalsContact C-N 3.25Å; K100-F102 PolarHBondContact O-N 2.92Å; K100-R103 WeakPolarHBondContact O-CA 3.4Å; K100-R103 PolarHBondContact O-N 3.29Å; K100-E226 WeakPolarHBondContact CE-OE1 3.43Å; K100-E226 VanDerWaalsContact NZ-CD 3.33Å; K100-E226 IonicContact NZ-OE1 3.69Å; K100-E226 PolarHBondContact NZ-OE1 3Å; K100-E226 IonicContact NZ-OE2 3.99Å; K100-E226 PolarHBondContact NZ-OE2 2.9Å |
| 101 | H | 93.8 | Very high | 96.4 | Very high | 112 Ų | 112 | 35.7 Ų | 35.7 | 52% | 0.519 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.8 | -40.6 | 174.7 | 177 | 69.7 | 0 | 0 | 0 | 111.3 | P97 V98 R103 Y154 | P97-H101 PolarHBondContact O-N 3.5Å; V98-H101 WeakPolarHBondContact O-CB 3.43Å; V98-H101 PolarHBondContact O-N 3.27Å; V98-H101 VanDerWaalsContact O-N 3.12Å; H101-R103 PolarHBondContact O-N 3.29Å; H101-Y154 AromaticContact NE2-CE1 3.84Å |
| 102 | F | 93.6 | Very high | 96.5 | Very high | 41 Ų | 41 | 35.1 Ų | 35.1 | 18% | 0.18 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 1.1 | 172.9 | -71.2 | -67.1 | 0 | 0 | 0 | 114.8 | V98 H99 K100 L104 L138 P150 Y154 L155 L158 | V98-F102 HydrophobicContact CG1-CD2 3.89Å; V98-F102 HydrophobicContact CG1-CE2 3.72Å; V98-F102 VanDerWaalsContact O-CD2 3.25Å; V98-F102 WeakPolarHBondContact O-CD2 3.42Å; V98-F102 PolarHBondContact O-N 3.5Å; V98-F102 VanDerWaalsContact O-N 3.16Å; H99-F102 CarbonylContact O-C 3.59Å; H99-F102 PolarHBondContact O-N 3.3Å; K100-F102 VanDerWaalsContact C-N 3.25Å; K100-F102 PolarHBondContact O-N 2.92Å; F102-L104 HydrophobicContact CB-CD1 3.79Å; F102-L104 HydrophobicContact CB-CD2 4.16Å; F102-L104 HydrophobicContact CB-CG 3.58Å; F102-L104 HydrophobicContact CD2-CD1 4.46Å; F102-L104 HydrophobicContact CG-CD1 4.45Å; F102-L104 PolarHBondContact O-N 3.18Å; F102-L138 HydrophobicContact CD2-CD2 4.44Å; F102-P150 HydrophobicContact CD1-CB 3.74Å; F102-P150 HydrophobicContact CE1-CB 3.55Å; F102-P150 HydrophobicContact CG-CB 4.32Å; F102-P150 HydrophobicContact CZ-CB 4Å; F102-Y154 AromaticContact CE1-CD1 3.31Å; F102-Y154 HydrophobicContact CE1-CD1 3.31Å; F102-Y154 AromaticContact CE1-CE1 3.74Å; F102-Y154 HydrophobicContact CE1-CE1 3.74Å; F102-Y154 HydrophobicContact CE1-CG 4.39Å; F102-Y154 AromaticContact CZ-CD1 3.52Å; F102-Y154 HydrophobicContact CZ-CD1 3.52Å; F102-Y154 HydrophobicContact CZ-CE1 4.04Å; F102-L155 HydrophobicContact CE2-CD2 3.77Å; F102-L155 HydrophobicContact CZ-CD2 3.83Å; F102-L158 HydrophobicContact CE2-CD1 3.6Å; F102-L158 HydrophobicContact CZ-CD1 3.9Å |
| 103 | R | 95.9 | Very high | 96.5 | Very high | 148 Ų | 148 | 35.4 Ų | 35.4 | 56% | 0.558 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 31.4 | -174.9 | -53.6 | -178.1 | 179.4 | 166.5 | 5 | 113.5 | H99 K100 H101 S305 | H99-R103 PolarHBondContact O-N 2.9Å; H99-R103 VanDerWaalsContact O-N 3.13Å; K100-R103 WeakPolarHBondContact O-CA 3.4Å; K100-R103 PolarHBondContact O-N 3.29Å; H101-R103 PolarHBondContact O-N 3.29Å; R103-S305 PolarHBondContact NH2-OG 2.94Å |
| 104 | L | 97.1 | Very high | 96.7 | Very high | 15 Ų | 15 | 33.6 Ų | 33.6 | 8% | 0.079 | 16% | 0.16 | C | C | . | . | trans | -78.6 | 145.7 | 175.8 | -51 | 170.4 | 0 | 0 | 0 | 110 | H99 F102 C108 L138 E146 | H99-L104 HydrophobicContact CB-CB 4.15Å; H99-L104 HydrophobicContact CB-CD1 4.26Å; H99-L104 PolarHBondContact ND1-O 3.44Å; H99-L104 PolarHBondContact O-N 3.19Å; F102-L104 HydrophobicContact CB-CD1 3.79Å; F102-L104 HydrophobicContact CB-CD2 4.16Å; F102-L104 HydrophobicContact CB-CG 3.58Å; F102-L104 HydrophobicContact CD2-CD1 4.46Å; F102-L104 HydrophobicContact CG-CD1 4.45Å; F102-L104 PolarHBondContact O-N 3.18Å; L104-C108 HydrophobicContact CB-CB 4.15Å; L104-L138 HydrophobicContact CD1-CD1 3.71Å; L104-L138 HydrophobicContact CD1-CD2 4.3Å; L104-L138 HydrophobicContact CD1-CG 4.04Å; L104-E146 HydrophobicContact CD2-CG 3.89Å | ||
| 105 | S | 97.6 | Very high | 96.8 | Very high | 43 Ų | 43 | 30.1 Ų | 30.1 | 30% | 0.301 | 15% | 0.147 | S | C | . | . | trans | -61.2 | 161.3 | -179 | 67.9 | 0 | 0 | 0 | 0 | 113.1 | E107 C108 C109 E146 | S105-E107 PolarHBondContact O-N 3.19Å; S105-C108 WeakPolarHBondContact O-CB 3.44Å; S105-C108 PolarHBondContact O-N 2.92Å; S105-C108 WeakPolarHBondContact OG-CB 3.47Å; S105-C108 PolarHBondContact OG-N 3.03Å; S105-C108 VanDerWaalsContact OG-N 3.07Å; S105-C109 PolarHBondContact O-N 3.01Å; S105-E146 WeakPolarHBondContact CB-OE1 3.22Å; S105-E146 PolarHBondContact N-OE1 3.47Å; S105-E146 PolarHBondContact OG-OE1 3.44Å | ||
| 106 | F | 97.6 | Very high | 96.8 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.2 | -30.8 | 171.4 | -177.6 | -127.4 | 0 | 0 | 0 | 112.1 | C109 C110 L188 A189 Q222 C225 E226 L229 | F106-C109 HydrophobicContact CD2-CB 4.46Å; F106-C109 PolarHBondContact O-N 3.39Å; F106-C110 WeakPolarHBondContact CZ-SG 3.4Å; F106-C110 PolarHBondContact O-N 3.23Å; F106-C110 PolarHBondContact O-SG 2.91Å; F106-L188 HydrophobicContact CE1-CB 4.16Å; F106-L188 HydrophobicContact CZ-CB 4.18Å; F106-A189 HydrophobicContact CB-CB 4.32Å; F106-A189 HydrophobicContact CD1-CB 3.37Å; F106-A189 HydrophobicContact CE1-CB 3.9Å; F106-A189 HydrophobicContact CG-CB 4.1Å; F106-Q222 HydrophobicContact CB-CG 4.45Å; F106-Q222 HydrophobicContact CD1-CG 3.65Å; F106-Q222 HydrophobicContact CD2-CG 4.21Å; F106-Q222 HydrophobicContact CE1-CG 3.92Å; F106-Q222 HydrophobicContact CE2-CG 4.44Å; F106-Q222 HydrophobicContact CG-CG 3.83Å; F106-Q222 HydrophobicContact CZ-CG 4.32Å; F106-C225 HydrophobicContact CE1-CB 4.09Å; F106-C225 HydrophobicContact CZ-CB 3.6Å; F106-E226 HydrophobicContact CD2-CG 3.99Å; F106-E226 HydrophobicContact CE2-CG 3.59Å; F106-E226 HydrophobicContact CZ-CG 4.46Å; F106-L229 HydrophobicContact CE2-CD1 3.9Å; F106-L229 HydrophobicContact CZ-CD1 4.44Å |
| 107 | E | 97.8 | Very high | 97 | Very high | 52 Ų | 52 | 29 Ų | 29 | 24% | 0.243 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.7 | -50.3 | 170.5 | 179.5 | 67.3 | -167.4 | 0 | 0 | 111 | S105 C109 C110 L111 V145 T187 A189 | S105-E107 PolarHBondContact O-N 3.19Å; E107-C109 VanDerWaalsContact C-N 3.33Å; E107-C109 PolarHBondContact O-N 3Å; E107-C110 WeakPolarHBondContact O-CB 3.48Å; E107-C110 PolarHBondContact O-N 3.02Å; E107-L111 WeakPolarHBondContact O-CB 3.31Å; E107-L111 PolarHBondContact O-N 3.44Å; E107-V145 HydrophobicContact CG-CB 4.18Å; E107-V145 HydrophobicContact CG-CG1 4.03Å; E107-V145 HydrophobicContact CG-CG2 4.14Å; E107-T187 VanDerWaalsContact CD-OG1 3.23Å; E107-T187 WeakPolarHBondContact OE1-CG2 3.43Å; E107-T187 PolarHBondContact OE1-OG1 3.38Å; E107-T187 VanDerWaalsContact OE2-CB 3.3Å; E107-T187 WeakPolarHBondContact OE2-CB 3.33Å; E107-T187 PolarHBondContact OE2-OG1 3.27Å; E107-A189 HydrophobicContact CB-CB 4.12Å; E107-A189 WeakPolarHBondContact OE2-CB 3.45Å |
| 108 | C | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.6 | -41.6 | 177.4 | -179 | 0 | 0 | 0 | 0 | 112.3 | L104 S105 L111 T112 A141 S142 V145 E146 | L104-C108 HydrophobicContact CB-CB 4.15Å; S105-C108 WeakPolarHBondContact O-CB 3.44Å; S105-C108 PolarHBondContact O-N 2.92Å; S105-C108 WeakPolarHBondContact OG-CB 3.47Å; S105-C108 PolarHBondContact OG-N 3.03Å; S105-C108 VanDerWaalsContact OG-N 3.07Å; C108-L111 PolarHBondContact O-N 3Å; C108-T112 WeakPolarHBondContact O-CB 3.42Å; C108-T112 PolarHBondContact O-N 3.44Å; C108-T112 PolarHBondContact O-OG1 3.2Å; C108-A141 WeakPolarHBondContact O-CB 3.35Å; C108-S142 PolarHBondContact SG-N 3.46Å; C108-V145 HydrophobicContact CB-CG2 3.68Å; C108-E146 HydrophobicContact CB-CG 4.21Å; C108-E146 WeakPolarHBondContact CB-OE1 3.46Å |
| 109 | C | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.02 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.7 | -46.1 | 175.3 | -173.9 | 0 | 0 | 0 | 0 | 112.3 | H99 S105 F106 E107 L111 T112 V113 | H99-C109 HydrophobicContact CB-CB 4.47Å; H99-C109 PolarHBondContact CD2-SG 3.35Å; S105-C109 PolarHBondContact O-N 3.01Å; F106-C109 HydrophobicContact CD2-CB 4.46Å; F106-C109 PolarHBondContact O-N 3.39Å; E107-C109 VanDerWaalsContact C-N 3.33Å; E107-C109 PolarHBondContact O-N 3Å; C109-L111 VanDerWaalsContact C-N 3.32Å; C109-L111 PolarHBondContact O-N 3.03Å; C109-T112 WeakPolarHBondContact O-CB 3.31Å; C109-T112 PolarHBondContact O-N 2.96Å; C109-V113 PolarHBondContact O-N 3.46Å |
| 110 | C | 98.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 3% | 0.034 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 176.5 | -67 | 0 | 0 | 0 | 0 | 111.6 | F106 E107 V113 N114 T187 | F106-C110 WeakPolarHBondContact CZ-SG 3.4Å; F106-C110 PolarHBondContact O-N 3.23Å; F106-C110 PolarHBondContact O-SG 2.91Å; E107-C110 WeakPolarHBondContact O-CB 3.48Å; E107-C110 PolarHBondContact O-N 3.02Å; C110-V113 PolarHBondContact O-N 3.42Å; C110-N114 PolarHBondContact O-N 3.01Å; C110-T187 HydrophobicContact CB-CG2 3.82Å |
| 111 | L | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.3 | -39.5 | -179.8 | -165.8 | 63.7 | 0 | 0 | 0 | 111.9 | E107 C108 C109 V113 N114 I115 A141 Q144 V145 L183 S185 | E107-L111 WeakPolarHBondContact O-CB 3.31Å; E107-L111 PolarHBondContact O-N 3.44Å; C108-L111 PolarHBondContact O-N 3Å; C109-L111 VanDerWaalsContact C-N 3.32Å; C109-L111 PolarHBondContact O-N 3.03Å; L111-V113 VanDerWaalsContact C-N 3.34Å; L111-V113 PolarHBondContact O-N 2.99Å; L111-N114 PolarHBondContact O-N 2.97Å; L111-I115 HydrophobicContact CG-CD1 3.99Å; L111-I115 HydrophobicContact CG-CG1 4.49Å; L111-I115 WeakPolarHBondContact O-CB 3.42Å; L111-I115 VanDerWaalsContact O-CG1 3.26Å; L111-I115 WeakPolarHBondContact O-CG1 3.32Å; L111-I115 PolarHBondContact O-N 2.9Å; L111-A141 HydrophobicContact CB-CB 3.89Å; L111-A141 HydrophobicContact CD2-CB 4.04Å; L111-A141 HydrophobicContact CG-CB 4.03Å; L111-Q144 HydrophobicContact CD2-CB 3.86Å; L111-Q144 HydrophobicContact CD2-CG 3.82Å; L111-V145 HydrophobicContact CD2-CG1 3.75Å; L111-L183 WeakPolarHBondContact CD1-O 3.43Å; L111-S185 WeakPolarHBondContact CD1-OG 3.37Å |
| 112 | T | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -54.7 | -50.5 | 174.1 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | L95 C108 C109 I115 M116 A137 L138 A141 | L95-T112 HydrophobicContact CD1-CG2 4.08Å; C108-T112 WeakPolarHBondContact O-CB 3.42Å; C108-T112 PolarHBondContact O-N 3.44Å; C108-T112 PolarHBondContact O-OG1 3.2Å; C109-T112 WeakPolarHBondContact O-CB 3.31Å; C109-T112 PolarHBondContact O-N 2.96Å; T112-I115 PolarHBondContact O-N 3.47Å; T112-M116 WeakPolarHBondContact O-CB 3.36Å; T112-M116 PolarHBondContact O-N 3.44Å; T112-A137 HydrophobicContact CG2-CB 4.07Å; T112-L138 HydrophobicContact CG2-CB 3.92Å; T112-L138 HydrophobicContact CG2-CD1 4.22Å; T112-L138 WeakPolarHBondContact OG1-CA 3.49Å; T112-L138 VanDerWaalsContact OG1-CD1 3.26Å; T112-L138 WeakPolarHBondContact OG1-CD1 3.24Å; T112-A141 WeakPolarHBondContact OG1-CB 3.25Å |
| 113 | V | 98.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 21.3 Ų | 21.3 | 4% | 0.036 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.1 | -40.6 | -179.8 | 177.6 | 0 | 0 | 0 | 0 | 111 | R88 V92 C109 C110 L111 M116 D117 L229 | R88-V113 VanDerWaalsContact NH2-CG1 3.26Å; V92-V113 HydrophobicContact CG1-CG2 3.85Å; V92-V113 HydrophobicContact CG2-CG2 4.22Å; C109-V113 PolarHBondContact O-N 3.46Å; C110-V113 PolarHBondContact O-N 3.42Å; L111-V113 VanDerWaalsContact C-N 3.34Å; L111-V113 PolarHBondContact O-N 2.99Å; V113-M116 PolarHBondContact O-N 3.45Å; V113-D117 WeakPolarHBondContact O-CB 3.42Å; V113-D117 PolarHBondContact O-N 2.94Å; V113-L229 HydrophobicContact CB-CD2 4.26Å; V113-L229 HydrophobicContact CG1-CD2 4.28Å; V113-L229 HydrophobicContact CG2-CB 4.35Å; V113-L229 HydrophobicContact CG2-CD2 4.42Å |
| 114 | N | 98.1 | Very high | 97.3 | Very high | 18 Ų | 18 | 18.8 Ų | 18.8 | 10% | 0.096 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 176.6 | -173.8 | -89.4 | 0 | 0 | 0 | 112.5 | F71 C110 L111 D117 R118 S185 | F71-N114 PolarHBondContact O-ND2 3.45Å; C110-N114 PolarHBondContact O-N 3.01Å; L111-N114 PolarHBondContact O-N 2.97Å; N114-D117 PolarHBondContact O-N 3.4Å; N114-R118 WeakPolarHBondContact O-CB 3.39Å; N114-R118 WeakPolarHBondContact O-CG 3.35Å; N114-R118 PolarHBondContact O-N 3.18Å; N114-R118 WeakPolarHBondContact OD1-CD 3.49Å; N114-S185 VanDerWaalsContact CG-CB 3.48Å; N114-S185 VanDerWaalsContact CG-OG 3.24Å; N114-S185 WeakPolarHBondContact OD1-CB 3.32Å; N114-S185 PolarHBondContact OD1-OG 3.32Å |
| 115 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.6 | -49.5 | 177.1 | -72 | 169.4 | 0 | 0 | 0 | 109.9 | L111 T112 F119 A137 L140 A141 V175 L179 L183 | L111-I115 HydrophobicContact CG-CD1 3.99Å; L111-I115 HydrophobicContact CG-CG1 4.49Å; L111-I115 WeakPolarHBondContact O-CB 3.42Å; L111-I115 VanDerWaalsContact O-CG1 3.26Å; L111-I115 WeakPolarHBondContact O-CG1 3.32Å; L111-I115 PolarHBondContact O-N 2.9Å; T112-I115 PolarHBondContact O-N 3.47Å; I115-F119 WeakPolarHBondContact O-CB 3.21Å; I115-F119 PolarHBondContact O-N 3.11Å; I115-A137 HydrophobicContact CB-CB 4.21Å; I115-A137 HydrophobicContact CG2-CB 3.79Å; I115-L140 HydrophobicContact CD1-CB 4.11Å; I115-L140 HydrophobicContact CG2-CD1 4.39Å; I115-A141 HydrophobicContact CD1-CB 4.23Å; I115-V175 HydrophobicContact CG2-CG1 3.7Å; I115-L179 HydrophobicContact CB-CD1 4.34Å; I115-L179 HydrophobicContact CG1-CD1 4.44Å; I115-L179 HydrophobicContact CG2-CD1 3.85Å; I115-L183 HydrophobicContact CD1-CD2 4.02Å; I115-L183 HydrophobicContact CG1-CD2 4.1Å |
| 116 | M | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.2 | -52.7 | 178.9 | -177.5 | -174.6 | 70.3 | 0 | 0 | 111.2 | R88 L91 V92 T112 V113 R118 F119 L120 F130 L133 A137 | R88-M116 HydrophobicContact CG-CE 4.14Å; L91-M116 HydrophobicContact CD2-SD 3.68Å; V92-M116 HydrophobicContact CG2-CE 3.6Å; T112-M116 WeakPolarHBondContact O-CB 3.36Å; T112-M116 PolarHBondContact O-N 3.44Å; V113-M116 PolarHBondContact O-N 3.45Å; M116-R118 PolarHBondContact O-N 3.45Å; M116-F119 WeakPolarHBondContact O-CB 3.45Å; M116-F119 PolarHBondContact O-N 2.91Å; M116-L120 HydrophobicContact CG-CD1 4.34Å; M116-L120 WeakPolarHBondContact O-CG 3.45Å; M116-L120 PolarHBondContact O-N 3.43Å; M116-F130 HydrophobicContact CG-CE2 4.4Å; M116-F130 HydrophobicContact SD-CE2 3.95Å; M116-F130 HydrophobicContact SD-CZ 4.2Å; M116-L133 HydrophobicContact CG-CD2 3.94Å; M116-L133 HydrophobicContact CG-CG 4.14Å; M116-A137 HydrophobicContact CB-CB 4.15Å |
| 117 | D | 97.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.3 | -38 | -176.2 | -78.7 | -23 | 0 | 0 | 0 | 113 | P73 S76 R88 V113 N114 F119 L120 A121 N235 | P73-D117 HydrophobicContact CB-CB 3.56Å; P73-D117 HydrophobicContact CG-CB 3.76Å; S76-D117 WeakPolarHBondContact CB-O 3.33Å; S76-D117 PolarHBondContact OG-OD1 3.24Å; R88-D117 IonicContact CZ-OD1 2.69Å; R88-D117 IonicContact CZ-OD2 2.66Å; R88-D117 IonicContact NE-OD1 3.33Å; R88-D117 PolarHBondContact NE-OD1 3.26Å; R88-D117 IonicContact NE-OD2 3.62Å; R88-D117 PolarHBondContact NE-OD2 3.47Å; R88-D117 IonicContact NH2-OD1 3.57Å; R88-D117 IonicContact NH2-OD2 3.84Å; R88-D117 PolarHBondContact NH2-OD2 2.65Å; V113-D117 WeakPolarHBondContact O-CB 3.42Å; V113-D117 PolarHBondContact O-N 2.94Å; N114-D117 PolarHBondContact O-N 3.4Å; D117-F119 VanDerWaalsContact C-N 3.31Å; D117-F119 PolarHBondContact O-N 3.32Å; D117-L120 PolarHBondContact O-N 2.9Å; D117-A121 PolarHBondContact O-N 3.45Å; D117-N235 PolarHBondContact OD2-ND2 3.07Å |
| 118 | R | 97.4 | Very high | 96.9 | Very high | 31 Ų | 31 | 24.2 Ų | 24.2 | 12% | 0.117 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.8 | -33.7 | 175.2 | -71.7 | 171.5 | 57.7 | -140.1 | -4.2 | 112.1 | P73 N114 M116 A121 S122 L179 R182 | P73-R118 HydrophobicContact CB-CG 3.86Å; N114-R118 WeakPolarHBondContact O-CB 3.39Å; N114-R118 WeakPolarHBondContact O-CG 3.35Å; N114-R118 PolarHBondContact O-N 3.18Å; N114-R118 WeakPolarHBondContact OD1-CD 3.49Å; M116-R118 PolarHBondContact O-N 3.45Å; R118-A121 PolarHBondContact O-N 2.86Å; R118-S122 PolarHBondContact O-OG 3.47Å; R118-L179 HydrophobicContact CB-CD2 3.64Å; R118-R182 VanDerWaalsContact CZ-O 3.31Å; R118-R182 PolarHBondContact NH1-O 2.68Å; R118-R182 PolarHBondContact NH2-O 3.21Å |
| 119 | F | 97.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65 | -47.1 | 173.1 | -174.1 | -98.8 | 0 | 0 | 0 | 110.8 | I115 M116 D117 A121 S122 T123 V125 L133 L171 L174 V175 R178 | I115-F119 WeakPolarHBondContact O-CB 3.21Å; I115-F119 PolarHBondContact O-N 3.11Å; M116-F119 WeakPolarHBondContact O-CB 3.45Å; M116-F119 PolarHBondContact O-N 2.91Å; D117-F119 VanDerWaalsContact C-N 3.31Å; D117-F119 PolarHBondContact O-N 3.32Å; F119-A121 VanDerWaalsContact C-N 3.26Å; F119-A121 PolarHBondContact O-N 3.32Å; F119-S122 PolarHBondContact O-N 3.16Å; F119-S122 VanDerWaalsContact O-N 3.07Å; F119-S122 PolarHBondContact O-OG 2.99Å; F119-T123 HydrophobicContact CE1-CG2 3.88Å; F119-T123 HydrophobicContact CE2-CG2 4.26Å; F119-T123 HydrophobicContact CZ-CG2 3.62Å; F119-T123 PolarHBondContact O-N 3.41Å; F119-V125 HydrophobicContact CD1-CG2 4.09Å; F119-V125 HydrophobicContact CE1-CG2 3.71Å; F119-L133 HydrophobicContact CB-CD1 4.37Å; F119-L133 HydrophobicContact CD1-CD1 3.45Å; F119-L133 VanDerWaalsContact CD1-CD1 3.45Å; F119-L133 HydrophobicContact CD1-CD2 3.75Å; F119-L133 HydrophobicContact CD1-CG 4.26Å; F119-L133 HydrophobicContact CE1-CD1 3.85Å; F119-L133 HydrophobicContact CE1-CD2 4.36Å; F119-L133 HydrophobicContact CG-CD1 3.99Å; F119-L171 HydrophobicContact CE1-CD1 4.43Å; F119-L171 HydrophobicContact CZ-CD1 4.14Å; F119-L174 HydrophobicContact CE2-CG 4.09Å; F119-L174 HydrophobicContact CZ-CD2 4.02Å; F119-L174 HydrophobicContact CZ-CG 4.09Å; F119-V175 HydrophobicContact CD1-CG2 4.49Å; F119-V175 HydrophobicContact CD2-CB 4.09Å; F119-V175 HydrophobicContact CD2-CG1 4.23Å; F119-V175 HydrophobicContact CD2-CG2 3.7Å; F119-V175 HydrophobicContact CE1-CG2 4.49Å; F119-V175 HydrophobicContact CE2-CB 4.23Å; F119-V175 HydrophobicContact CE2-CG2 3.7Å; F119-V175 HydrophobicContact CG-CG2 4.09Å; F119-V175 HydrophobicContact CZ-CG2 4.1Å; F119-R178 HydrophobicContact CD2-CB 3.95Å; F119-R178 HydrophobicContact CD2-CG 4.35Å; F119-R178 HydrophobicContact CE2-CB 3.92Å; F119-R178 HydrophobicContact CE2-CG 3.84Å |
| 120 | L | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.7 | -34.4 | 175.3 | -66.6 | 177.1 | 0 | 0 | 0 | 112.7 | S76 L77 Q80 L83 M116 D117 S122 V125 F130 L133 | S76-L120 CarbonylContact O-C 3.53Å; S76-L120 VanDerWaalsContact O-C 3.24Å; S76-L120 WeakPolarHBondContact O-CB 3.46Å; L77-L120 HydrophobicContact CD2-CD1 3.97Å; Q80-L120 HydrophobicContact CG-CB 4.46Å; Q80-L120 HydrophobicContact CG-CD2 4.44Å; Q80-L120 PolarHBondContact NE2-O 3.2Å; L83-L120 HydrophobicContact CD1-CD2 3.6Å; M116-L120 HydrophobicContact CG-CD1 4.34Å; M116-L120 WeakPolarHBondContact O-CG 3.45Å; M116-L120 PolarHBondContact O-N 3.43Å; D117-L120 PolarHBondContact O-N 2.9Å; L120-S122 PolarHBondContact O-N 2.99Å; L120-V125 HydrophobicContact CD2-CB 3.98Å; L120-V125 HydrophobicContact CD2-CG2 3.82Å; L120-F130 HydrophobicContact CD1-CE2 3.87Å; L120-F130 HydrophobicContact CD1-CZ 4.32Å; L120-F130 HydrophobicContact CD2-CE2 4.22Å; L120-L133 HydrophobicContact CD2-CD2 3.7Å; L120-L133 HydrophobicContact CG-CD2 4.06Å |
| 121 | A | 94.7 | Very high | 96.7 | Very high | 33 Ų | 33 | 29.7 Ų | 29.7 | 27% | 0.273 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.9 | -22.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D117 R118 F119 | D117-A121 PolarHBondContact O-N 3.45Å; R118-A121 PolarHBondContact O-N 2.86Å; F119-A121 VanDerWaalsContact C-N 3.26Å; F119-A121 PolarHBondContact O-N 3.32Å |
| 122 | S | 92.9 | Very high | 96.7 | Very high | 53 Ų | 53 | 30 Ų | 30 | 37% | 0.371 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -117.7 | -19.6 | -174.2 | 62.9 | 0 | 0 | 0 | 0 | 114.9 | R118 F119 L120 | R118-S122 PolarHBondContact O-OG 3.47Å; F119-S122 PolarHBondContact O-N 3.16Å; F119-S122 VanDerWaalsContact O-N 3.07Å; F119-S122 PolarHBondContact O-OG 2.99Å; L120-S122 PolarHBondContact O-N 2.99Å |
| 123 | T | 94.9 | Very high | 96.7 | Very high | 15 Ų | 15 | 30 Ų | 30 | 9% | 0.092 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -133.6 | 121.6 | -170.6 | -54 | 0 | 0 | 0 | 0 | 110.2 | Q80 F119 | Q80-T123 PolarHBondContact NE2-O 3.39Å; F119-T123 HydrophobicContact CE1-CG2 3.88Å; F119-T123 HydrophobicContact CE2-CG2 4.26Å; F119-T123 HydrophobicContact CZ-CG2 3.62Å; F119-T123 PolarHBondContact O-N 3.41Å |
| 124 | P | 95.5 | Very high | 96.7 | Very high | 95 Ų | 95 | 29.7 Ų | 29.7 | 62% | 0.617 | 18% | 0.18 | S | C | * | . | trans | -67.9 | 136.7 | 175.3 | 28.7 | -33.2 | 0 | 0 | 0 | 110.2 | ||||
| 125 | V | 96.4 | Very high | 96.7 | Very high | 14 Ų | 14 | 28.9 Ų | 28.9 | 9% | 0.085 | 18% | 0.176 | C | C | . | . | trans | -125.2 | 131.5 | -177 | 175.7 | 0 | 0 | 0 | 0 | 109.5 | L83 F119 L120 C129 F130 L133 | L83-V125 HydrophobicContact CD1-CB 4.03Å; L83-V125 HydrophobicContact CD1-CG1 4.33Å; F119-V125 HydrophobicContact CD1-CG2 4.09Å; F119-V125 HydrophobicContact CE1-CG2 3.71Å; L120-V125 HydrophobicContact CD2-CB 3.98Å; L120-V125 HydrophobicContact CD2-CG2 3.82Å; V125-C129 HydrophobicContact CG1-CB 4.31Å; V125-F130 HydrophobicContact CG1-CB 4.49Å; V125-F130 HydrophobicContact CG1-CD2 4.49Å; V125-L133 HydrophobicContact CG2-CD2 4.18Å | ||
| 126 | A | 95.6 | Very high | 96.7 | Very high | 37 Ų | 37 | 28.9 Ų | 28.9 | 31% | 0.306 | 18% | 0.176 | S | C | . | . | trans | -73.4 | 148 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | D128 C129 F130 | A126-D128 WeakPolarHBondContact CB-OD1 3.4Å; A126-D128 PolarHBondContact O-N 3.05Å; A126-C129 PolarHBondContact O-N 3.5Å; A126-C129 VanDerWaalsContact O-N 3.08Å; A126-F130 PolarHBondContact O-N 3.48Å | ||
| 127 | T | 95.1 | Very high | 96.7 | Very high | 81 Ų | 81 | 28.9 Ų | 28.9 | 50% | 0.497 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -35.2 | -175 | 44.3 | 0 | 0 | 0 | 0 | 113.6 | Q82 L83 C129 F130 | Q82-T127 HydrophobicContact CB-CG2 3.74Å; Q82-T127 WeakPolarHBondContact O-CG2 3.35Å; L83-T127 HydrophobicContact CD2-CG2 3.86Å; T127-C129 VanDerWaalsContact C-N 3.34Å; T127-F130 WeakPolarHBondContact O-CB 3.41Å; T127-F130 PolarHBondContact O-N 3.2Å |
| 128 | D | 94.8 | Very high | 96.8 | Very high | 110 Ų | 110 | 28.9 Ų | 28.9 | 59% | 0.588 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -35.9 | 177.4 | 58.9 | -14.5 | 0 | 0 | 0 | 111.8 | A126 F130 F163 | A126-D128 WeakPolarHBondContact CB-OD1 3.4Å; A126-D128 PolarHBondContact O-N 3.05Å; D128-F130 VanDerWaalsContact C-N 3.31Å; D128-F130 PolarHBondContact O-N 3.36Å; D128-F163 VanDerWaalsContact O-CZ 3.27Å; D128-F163 WeakPolarHBondContact O-CZ 3.36Å |
| 129 | C | 96.2 | Very high | 96.8 | Very high | 49 Ų | 49 | 27.5 Ų | 27.5 | 33% | 0.331 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -4.3 | 178.9 | -65.7 | 0 | 0 | 0 | 0 | 113.8 | V125 A126 T127 Q131 L132 L133 | V125-C129 HydrophobicContact CG1-CB 4.31Å; A126-C129 PolarHBondContact O-N 3.5Å; A126-C129 VanDerWaalsContact O-N 3.08Å; T127-C129 VanDerWaalsContact C-N 3.34Å; C129-Q131 PolarHBondContact O-N 3.1Å; C129-L132 WeakPolarHBondContact O-CB 3.3Å; C129-L132 PolarHBondContact O-N 3.1Å; C129-L133 PolarHBondContact O-N 3.02Å |
| 130 | F | 96.9 | Very high | 96.9 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 5% | 0.048 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.8 | -37.2 | -170.8 | -171 | -141.5 | 0 | 0 | 0 | 113 | L83 A87 R88 L91 M116 L120 V125 A126 T127 D128 L133 G134 | L83-F130 HydrophobicContact CD1-CD2 3.77Å; L83-F130 HydrophobicContact CD1-CE2 4Å; L83-F130 HydrophobicContact CD1-CG 4.07Å; L83-F130 HydrophobicContact CD1-CZ 4.44Å; L83-F130 HydrophobicContact CD2-CB 3.99Å; L83-F130 HydrophobicContact CD2-CD1 3.82Å; L83-F130 HydrophobicContact CD2-CD2 4.35Å; L83-F130 HydrophobicContact CD2-CE1 4.39Å; L83-F130 HydrophobicContact CD2-CG 3.79Å; A87-F130 HydrophobicContact CB-CE1 4.36Å; R88-F130 HydrophobicContact CB-CZ 4.26Å; L91-F130 HydrophobicContact CB-CD1 4.34Å; L91-F130 HydrophobicContact CB-CE1 3.83Å; L91-F130 HydrophobicContact CB-CZ 4.26Å; L91-F130 HydrophobicContact CD2-CD1 3.78Å; L91-F130 HydrophobicContact CD2-CD2 3.81Å; L91-F130 HydrophobicContact CD2-CE1 3.58Å; L91-F130 HydrophobicContact CD2-CE2 3.58Å; L91-F130 HydrophobicContact CD2-CG 3.9Å; L91-F130 HydrophobicContact CD2-CZ 3.48Å; L91-F130 VanDerWaalsContact CD2-CZ 3.48Å; L91-F130 WeakPolarHBondContact CD2-O 3.32Å; L91-F130 HydrophobicContact CG-CE1 4.35Å; M116-F130 HydrophobicContact CG-CE2 4.4Å; M116-F130 HydrophobicContact SD-CE2 3.95Å; M116-F130 HydrophobicContact SD-CZ 4.2Å; L120-F130 HydrophobicContact CD1-CE2 3.87Å; L120-F130 HydrophobicContact CD1-CZ 4.32Å; L120-F130 HydrophobicContact CD2-CE2 4.22Å; V125-F130 HydrophobicContact CG1-CB 4.49Å; V125-F130 HydrophobicContact CG1-CD2 4.49Å; A126-F130 PolarHBondContact O-N 3.48Å; T127-F130 WeakPolarHBondContact O-CB 3.41Å; T127-F130 PolarHBondContact O-N 3.2Å; D128-F130 VanDerWaalsContact C-N 3.31Å; D128-F130 PolarHBondContact O-N 3.36Å; F130-L133 HydrophobicContact CD2-CD2 4.27Å; F130-L133 HydrophobicContact CE2-CD2 4.38Å; F130-L133 WeakPolarHBondContact O-CB 3.31Å; F130-L133 PolarHBondContact O-N 3.42Å; F130-G134 PolarHBondContact O-N 3.36Å; F130-G134 VanDerWaalsContact O-N 3.15Å |
| 131 | Q | 97.3 | Very high | 97 | Very high | 64 Ų | 64 | 27.7 Ų | 27.7 | 30% | 0.299 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.5 | -41 | 174.4 | -167.4 | -177.2 | 23.2 | 0 | 0 | 111.7 | L91 W94 C129 L133 G134 V135 L158 | L91-Q131 HydrophobicContact CD1-CB 4.41Å; L91-Q131 HydrophobicContact CD1-CG 4.22Å; W94-Q131 HydrophobicContact CH2-CG 4.02Å; W94-Q131 HydrophobicContact CZ3-CG 3.99Å; C129-Q131 PolarHBondContact O-N 3.1Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 2.86Å; Q131-G134 PolarHBondContact O-N 2.88Å; Q131-G134 VanDerWaalsContact O-N 3.09Å; Q131-V135 PolarHBondContact O-N 3.36Å; Q131-V135 VanDerWaalsContact O-N 3.09Å; Q131-L158 PolarHBondContact NE2-O 3.1Å |
| 132 | L | 98.2 | Very high | 97.1 | Very high | 8 Ų | 8 | 26.1 Ų | 26.1 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.1 | -44.9 | 175.4 | -176 | 63.2 | 0 | 0 | 0 | 110.7 | C129 G134 V135 T136 L156 F163 Q167 F168 L171 | C129-L132 WeakPolarHBondContact O-CB 3.3Å; C129-L132 PolarHBondContact O-N 3.1Å; L132-G134 VanDerWaalsContact C-N 3.3Å; L132-G134 PolarHBondContact O-N 3.19Å; L132-V135 HydrophobicContact CD1-CG2 4.26Å; L132-V135 VanDerWaalsContact O-CG2 3.22Å; L132-V135 WeakPolarHBondContact O-CG2 3.42Å; L132-V135 PolarHBondContact O-N 3.19Å; L132-T136 WeakPolarHBondContact O-CB 3.47Å; L132-T136 PolarHBondContact O-N 3.3Å; L132-T136 PolarHBondContact O-OG1 3.11Å; L132-L156 HydrophobicContact CD1-CD2 4.31Å; L132-F163 HydrophobicContact CB-CD1 4.28Å; L132-F163 HydrophobicContact CB-CD2 3.91Å; L132-F163 HydrophobicContact CB-CE1 4.13Å; L132-F163 HydrophobicContact CB-CE2 3.77Å; L132-F163 HydrophobicContact CB-CG 4.17Å; L132-F163 HydrophobicContact CB-CZ 3.89Å; L132-F163 HydrophobicContact CD1-CB 3.99Å; L132-F163 HydrophobicContact CD1-CD2 3.88Å; L132-F163 HydrophobicContact CD1-CG 3.88Å; L132-F163 HydrophobicContact CD2-CB 4.24Å; L132-F163 HydrophobicContact CD2-CD1 3.72Å; L132-F163 HydrophobicContact CD2-CD2 4.44Å; L132-F163 HydrophobicContact CD2-CE1 4.19Å; L132-F163 HydrophobicContact CD2-CG 3.86Å; L132-F163 HydrophobicContact CG-CD1 4.39Å; L132-F163 HydrophobicContact CG-CD2 4.27Å; L132-F163 HydrophobicContact CG-CG 4.17Å; L132-Q167 HydrophobicContact CD2-CB 4.46Å; L132-F168 HydrophobicContact CD1-CB 4.25Å; L132-F168 HydrophobicContact CD1-CD2 3.58Å; L132-F168 HydrophobicContact CD1-CE2 4.31Å; L132-F168 HydrophobicContact CD1-CG 4.23Å; L132-L171 HydrophobicContact CB-CD2 4.26Å; L132-L171 HydrophobicContact CD2-CD2 3.9Å; L132-L171 HydrophobicContact CG-CD2 3.68Å |
| 133 | L | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.1 | -43.8 | 174.5 | 176.2 | 65.4 | 0 | 0 | 0 | 112.1 | M116 F119 L120 V125 C129 F130 Q131 T136 A137 L171 V175 | M116-L133 HydrophobicContact CG-CD2 3.94Å; M116-L133 HydrophobicContact CG-CG 4.14Å; F119-L133 HydrophobicContact CB-CD1 4.37Å; F119-L133 HydrophobicContact CD1-CD1 3.45Å; F119-L133 VanDerWaalsContact CD1-CD1 3.45Å; F119-L133 HydrophobicContact CD1-CD2 3.75Å; F119-L133 HydrophobicContact CD1-CG 4.26Å; F119-L133 HydrophobicContact CE1-CD1 3.85Å; F119-L133 HydrophobicContact CE1-CD2 4.36Å; F119-L133 HydrophobicContact CG-CD1 3.99Å; L120-L133 HydrophobicContact CD2-CD2 3.7Å; L120-L133 HydrophobicContact CG-CD2 4.06Å; V125-L133 HydrophobicContact CG2-CD2 4.18Å; C129-L133 PolarHBondContact O-N 3.02Å; F130-L133 HydrophobicContact CD2-CD2 4.27Å; F130-L133 HydrophobicContact CE2-CD2 4.38Å; F130-L133 WeakPolarHBondContact O-CB 3.31Å; F130-L133 PolarHBondContact O-N 3.42Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 2.86Å; L133-T136 PolarHBondContact O-N 3.4Å; L133-A137 WeakPolarHBondContact O-CB 3.49Å; L133-A137 PolarHBondContact O-N 2.88Å; L133-L171 HydrophobicContact CB-CD2 4.26Å; L133-V175 HydrophobicContact CD1-CG2 3.82Å |
| 134 | G | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59 | -49.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F130 Q131 L132 A137 L138 | F130-G134 PolarHBondContact O-N 3.36Å; F130-G134 VanDerWaalsContact O-N 3.15Å; Q131-G134 PolarHBondContact O-N 2.88Å; Q131-G134 VanDerWaalsContact O-N 3.09Å; L132-G134 VanDerWaalsContact C-N 3.3Å; L132-G134 PolarHBondContact O-N 3.19Å; G134-A137 PolarHBondContact O-N 3.41Å; G134-L138 PolarHBondContact O-N 2.89Å |
| 135 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.8 | -31.4 | 178.8 | -64.4 | 0 | 0 | 0 | 0 | 112.9 | W94 Q131 L132 L138 L139 L155 F168 | W94-V135 HydrophobicContact CH2-CG1 3.57Å; W94-V135 HydrophobicContact CZ3-CG1 3.84Å; Q131-V135 PolarHBondContact O-N 3.36Å; Q131-V135 VanDerWaalsContact O-N 3.09Å; L132-V135 HydrophobicContact CD1-CG2 4.26Å; L132-V135 VanDerWaalsContact O-CG2 3.22Å; L132-V135 WeakPolarHBondContact O-CG2 3.42Å; L132-V135 PolarHBondContact O-N 3.19Å; V135-L138 PolarHBondContact O-N 3.12Å; V135-L139 PolarHBondContact O-N 3.35Å; V135-L155 HydrophobicContact CB-CB 4.47Å; V135-L155 HydrophobicContact CB-CD2 4.48Å; V135-F168 HydrophobicContact CB-CE2 4.36Å; V135-F168 HydrophobicContact CG2-CD2 4.42Å; V135-F168 HydrophobicContact CG2-CE2 3.73Å |
| 136 | T | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.7 | -42.8 | 172.4 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | L132 L133 L138 L139 L140 F168 L171 E172 V175 | L132-T136 WeakPolarHBondContact O-CB 3.47Å; L132-T136 PolarHBondContact O-N 3.3Å; L132-T136 PolarHBondContact O-OG1 3.11Å; L133-T136 PolarHBondContact O-N 3.4Å; T136-L138 VanDerWaalsContact C-N 3.28Å; T136-L138 PolarHBondContact O-N 3.27Å; T136-L139 PolarHBondContact O-N 3.41Å; T136-L140 HydrophobicContact CG2-CD1 4.46Å; T136-L140 WeakPolarHBondContact O-CG 3.33Å; T136-L140 PolarHBondContact O-N 2.9Å; T136-F168 HydrophobicContact CG2-CE1 4.36Å; T136-L171 HydrophobicContact CG2-CG 4.26Å; T136-E172 HydrophobicContact CG2-CB 3.97Å; T136-V175 HydrophobicContact CG2-CG2 4.44Å |
| 137 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.4 | -37.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | T112 I115 M116 L133 G134 L140 A141 | T112-A137 HydrophobicContact CG2-CB 4.07Å; I115-A137 HydrophobicContact CB-CB 4.21Å; I115-A137 HydrophobicContact CG2-CB 3.79Å; M116-A137 HydrophobicContact CB-CB 4.15Å; L133-A137 WeakPolarHBondContact O-CB 3.49Å; L133-A137 PolarHBondContact O-N 2.88Å; G134-A137 PolarHBondContact O-N 3.41Å; A137-L140 PolarHBondContact O-N 3.18Å; A137-A141 WeakPolarHBondContact O-CB 3.49Å; A137-A141 PolarHBondContact O-N 3.05Å |
| 138 | L | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | 175 | -174.8 | 63.6 | 0 | 0 | 0 | 111.9 | L95 V98 H99 F102 L104 T112 G134 V135 T136 A141 S142 L155 | L95-L138 HydrophobicContact CD2-CD2 4.4Å; V98-L138 HydrophobicContact CG1-CD2 3.75Å; H99-L138 HydrophobicContact CB-CD1 4.12Å; F102-L138 HydrophobicContact CD2-CD2 4.44Å; L104-L138 HydrophobicContact CD1-CD1 3.71Å; L104-L138 HydrophobicContact CD1-CD2 4.3Å; L104-L138 HydrophobicContact CD1-CG 4.04Å; T112-L138 HydrophobicContact CG2-CB 3.92Å; T112-L138 HydrophobicContact CG2-CD1 4.22Å; T112-L138 WeakPolarHBondContact OG1-CA 3.49Å; T112-L138 VanDerWaalsContact OG1-CD1 3.26Å; T112-L138 WeakPolarHBondContact OG1-CD1 3.24Å; G134-L138 PolarHBondContact O-N 2.89Å; V135-L138 PolarHBondContact O-N 3.12Å; T136-L138 VanDerWaalsContact C-N 3.28Å; T136-L138 PolarHBondContact O-N 3.27Å; L138-A141 PolarHBondContact O-N 2.98Å; L138-S142 WeakPolarHBondContact O-CB 3.48Å; L138-S142 PolarHBondContact O-N 3.17Å; L138-S142 PolarHBondContact O-OG 2.96Å; L138-L155 HydrophobicContact CD2-CD2 4.29Å |
| 139 | L | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.6 | -48.7 | 174.8 | -175.2 | 64.8 | 0 | 0 | 0 | 111.2 | V135 T136 A141 S142 K143 P150 V152 L155 F168 E172 | V135-L139 PolarHBondContact O-N 3.35Å; T136-L139 PolarHBondContact O-N 3.41Å; L139-A141 VanDerWaalsContact C-N 3.34Å; L139-A141 PolarHBondContact O-N 2.94Å; L139-S142 WeakPolarHBondContact CA-OG 3.38Å; L139-S142 PolarHBondContact O-N 3.38Å; L139-S142 PolarHBondContact O-OG 3.43Å; L139-K143 HydrophobicContact CD1-CG 4.49Å; L139-K143 HydrophobicContact CG-CD 4.24Å; L139-K143 WeakPolarHBondContact O-CG 3.48Å; L139-K143 PolarHBondContact O-N 2.79Å; L139-P150 HydrophobicContact CD1-CG 4.44Å; L139-P150 WeakPolarHBondContact CD1-O 3.46Å; L139-V152 HydrophobicContact CD2-CG2 3.92Å; L139-L155 HydrophobicContact CB-CD1 3.66Å; L139-L155 HydrophobicContact CD1-CD1 3.83Å; L139-L155 HydrophobicContact CD2-CD1 4.41Å; L139-L155 HydrophobicContact CG-CD1 4.16Å; L139-F168 HydrophobicContact CB-CE1 4.33Å; L139-F168 HydrophobicContact CB-CZ 4.05Å; L139-F168 HydrophobicContact CD2-CE1 3.43Å; L139-F168 VanDerWaalsContact CD2-CE1 3.43Å; L139-F168 HydrophobicContact CD2-CZ 3.86Å; L139-E172 WeakPolarHBondContact CD2-OE1 3.25Å |
| 140 | L | 98.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.8 | -43.4 | 179.9 | -72.9 | 176.5 | 0 | 0 | 0 | 112.1 | I115 T136 A137 Q144 E172 V175 L176 L183 | I115-L140 HydrophobicContact CD1-CB 4.11Å; I115-L140 HydrophobicContact CG2-CD1 4.39Å; T136-L140 HydrophobicContact CG2-CD1 4.46Å; T136-L140 WeakPolarHBondContact O-CG 3.33Å; T136-L140 PolarHBondContact O-N 2.9Å; A137-L140 PolarHBondContact O-N 3.18Å; L140-Q144 WeakPolarHBondContact O-CB 3.18Å; L140-Q144 PolarHBondContact O-N 3.25Å; L140-E172 HydrophobicContact CD2-CG 3.67Å; L140-E172 HydrophobicContact CG-CG 4.22Å; L140-V175 HydrophobicContact CD1-CB 3.82Å; L140-V175 HydrophobicContact CD1-CG1 3.45Å; L140-V175 VanDerWaalsContact CD1-CG1 3.45Å; L140-L176 HydrophobicContact CD1-CD2 4.44Å; L140-L176 HydrophobicContact CD1-CG 4.34Å; L140-L176 HydrophobicContact CD2-CD1 4.02Å; L140-L176 HydrophobicContact CD2-CD2 3.76Å; L140-L176 HydrophobicContact CD2-CG 3.84Å; L140-L183 HydrophobicContact CB-CD1 4.47Å |
| 141 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C108 L111 T112 I115 A137 L138 L139 K143 Q144 V145 | C108-A141 WeakPolarHBondContact O-CB 3.35Å; L111-A141 HydrophobicContact CB-CB 3.89Å; L111-A141 HydrophobicContact CD2-CB 4.04Å; L111-A141 HydrophobicContact CG-CB 4.03Å; T112-A141 WeakPolarHBondContact OG1-CB 3.25Å; I115-A141 HydrophobicContact CD1-CB 4.23Å; A137-A141 WeakPolarHBondContact O-CB 3.49Å; A137-A141 PolarHBondContact O-N 3.05Å; L138-A141 PolarHBondContact O-N 2.98Å; L139-A141 VanDerWaalsContact C-N 3.34Å; L139-A141 PolarHBondContact O-N 2.94Å; A141-K143 PolarHBondContact O-N 3.34Å; A141-Q144 WeakPolarHBondContact O-CA 3.32Å; A141-Q144 WeakPolarHBondContact O-CB 3.26Å; A141-Q144 PolarHBondContact O-N 3.49Å; A141-V145 PolarHBondContact O-N 3.04Å; A141-V145 VanDerWaalsContact O-N 3.13Å |
| 142 | S | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 179.6 | 69.4 | 0 | 0 | 0 | 0 | 112.5 | C108 L138 L139 Q144 V145 E146 S149 P150 | C108-S142 PolarHBondContact SG-N 3.46Å; L138-S142 WeakPolarHBondContact O-CB 3.48Å; L138-S142 PolarHBondContact O-N 3.17Å; L138-S142 PolarHBondContact O-OG 2.96Å; L139-S142 WeakPolarHBondContact CA-OG 3.38Å; L139-S142 PolarHBondContact O-N 3.38Å; L139-S142 PolarHBondContact O-OG 3.43Å; S142-Q144 PolarHBondContact O-N 3.38Å; S142-V145 PolarHBondContact O-N 3.33Å; S142-E146 WeakPolarHBondContact O-CA 3.25Å; S142-E146 WeakPolarHBondContact O-CB 3.4Å; S142-E146 PolarHBondContact O-N 2.79Å; S142-S149 WeakPolarHBondContact OG-CB 3.42Å; S142-P150 WeakPolarHBondContact OG-CD 3.36Å |
| 143 | K | 98.1 | Very high | 97.5 | Very high | 110 Ų | 110 | 40.8 Ų | 40.8 | 48% | 0.478 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.9 | -22.7 | 174.3 | -73 | 177.6 | 175.7 | 176.8 | 0 | 113.1 | L139 A141 E172 | L139-K143 HydrophobicContact CD1-CG 4.49Å; L139-K143 HydrophobicContact CG-CD 4.24Å; L139-K143 WeakPolarHBondContact O-CG 3.48Å; L139-K143 PolarHBondContact O-N 2.79Å; A141-K143 PolarHBondContact O-N 3.34Å; K143-E172 IonicContact NZ-OE1 3.76Å; K143-E172 PolarHBondContact NZ-OE1 3.48Å; K143-E172 IonicContact NZ-OE2 2.73Å |
| 144 | Q | 97.8 | Very high | 97.3 | Very high | 97 Ų | 97 | 46.2 Ų | 46.2 | 45% | 0.453 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -86.1 | -36.7 | -177.6 | -174.7 | 62.8 | 32.6 | 0 | 0 | 113 | L111 L140 A141 S142 L183 | L111-Q144 HydrophobicContact CD2-CB 3.86Å; L111-Q144 HydrophobicContact CD2-CG 3.82Å; L140-Q144 WeakPolarHBondContact O-CB 3.18Å; L140-Q144 PolarHBondContact O-N 3.25Å; A141-Q144 WeakPolarHBondContact O-CA 3.32Å; A141-Q144 WeakPolarHBondContact O-CB 3.26Å; A141-Q144 PolarHBondContact O-N 3.49Å; S142-Q144 PolarHBondContact O-N 3.38Å; Q144-L183 HydrophobicContact CG-CB 4.4Å |
| 145 | V | 97.6 | Very high | 97.1 | Very high | 56 Ų | 56 | 46.2 Ų | 46.2 | 34% | 0.339 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -126.2 | -12.9 | -169.4 | -54.8 | 0 | 0 | 0 | 0 | 114.8 | E107 C108 L111 A141 S142 | E107-V145 HydrophobicContact CG-CB 4.18Å; E107-V145 HydrophobicContact CG-CG1 4.03Å; E107-V145 HydrophobicContact CG-CG2 4.14Å; C108-V145 HydrophobicContact CB-CG2 3.68Å; L111-V145 HydrophobicContact CD2-CG1 3.75Å; A141-V145 PolarHBondContact O-N 3.04Å; A141-V145 VanDerWaalsContact O-N 3.13Å; S142-V145 PolarHBondContact O-N 3.33Å |
| 146 | E | 97.4 | Very high | 97 | Very high | 47 Ų | 47 | 46.8 Ų | 46.8 | 22% | 0.22 | 25% | 0.251 | C | S | . | . | trans | -101.5 | 151.7 | -178.8 | -55.3 | -67.9 | 167.7 | 0 | 0 | 111.4 | L104 S105 C108 S142 H148 | L104-E146 HydrophobicContact CD2-CG 3.89Å; S105-E146 WeakPolarHBondContact CB-OE1 3.22Å; S105-E146 PolarHBondContact N-OE1 3.47Å; S105-E146 PolarHBondContact OG-OE1 3.44Å; C108-E146 HydrophobicContact CB-CG 4.21Å; C108-E146 WeakPolarHBondContact CB-OE1 3.46Å; S142-E146 WeakPolarHBondContact O-CA 3.25Å; S142-E146 WeakPolarHBondContact O-CB 3.4Å; S142-E146 PolarHBondContact O-N 2.79Å; E146-H148 VanDerWaalsContact C-N 3.32Å | ||
| 147 | V | 96.1 | Very high | 96.8 | Very high | 132 Ų | 132 | 49.2 Ų | 49.2 | 80% | 0.8 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -67.4 | -37.8 | 172.6 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 148 | H | 93.9 | Very high | 96.5 | Very high | 156 Ų | 156 | 51.3 Ų | 51.3 | 72% | 0.722 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -129.2 | 121.4 | -178.5 | -55.9 | 101.4 | 0 | 0 | 0 | 110.3 | E146 | E146-H148 VanDerWaalsContact C-N 3.32Š|
| 149 | S | 95.8 | Very high | 96.1 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 146.3 | 172.8 | 62.8 | 0 | 0 | 0 | 0 | 111.4 | S142 | S142-S149 WeakPolarHBondContact OG-CB 3.42Š|
| 150 | P | 96 | Very high | 95.8 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 11% | 0.11 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 153.7 | 173 | 28.2 | -34.6 | 0 | 0 | 0 | 111.9 | F102 L139 S142 L155 | F102-P150 HydrophobicContact CD1-CB 3.74Å; F102-P150 HydrophobicContact CE1-CB 3.55Å; F102-P150 HydrophobicContact CG-CB 4.32Å; F102-P150 HydrophobicContact CZ-CB 4Å; L139-P150 HydrophobicContact CD1-CG 4.44Å; L139-P150 WeakPolarHBondContact CD1-O 3.46Å; S142-P150 WeakPolarHBondContact OG-CD 3.36Å; P150-L155 HydrophobicContact CB-CD2 4.35Å; P150-L155 HydrophobicContact CB-CG 4.27Å; P150-L155 HydrophobicContact CG-CD1 4.05Å; P150-L155 HydrophobicContact CG-CD2 4.01Å; P150-L155 HydrophobicContact CG-CG 4.12Å |
| 151 | S | 96.2 | Very high | 95.1 | Very high | 62 Ų | 62 | 61.9 Ų | 61.9 | 43% | 0.434 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 146.4 | 177.5 | 70.9 | 0 | 0 | 0 | 0 | 111.5 | S153 Y154 L155 | S151-S153 VanDerWaalsContact C-N 3.25Å; S151-S153 PolarHBondContact O-N 2.88Å; S151-S153 PolarHBondContact OG-OG 2.97Å; S151-Y154 PolarHBondContact O-N 3.06Å; S151-Y154 WeakPolarHBondContact OG-CB 3.42Å; S151-Y154 PolarHBondContact OG-N 3.4Å; S151-L155 PolarHBondContact O-N 3.36Å |
| 152 | V | 96.3 | Very high | 94.8 | Very high | 27 Ų | 27 | 65.3 Ų | 65.3 | 16% | 0.164 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.7 | -37.8 | 178.1 | 177 | 0 | 0 | 0 | 0 | 111.5 | L139 Y154 L155 L156 K165 F168 | L139-V152 HydrophobicContact CD2-CG2 3.92Å; V152-Y154 VanDerWaalsContact C-N 3.34Å; V152-Y154 PolarHBondContact O-N 3.33Å; V152-L155 PolarHBondContact O-N 2.76Å; V152-L156 HydrophobicContact CG1-CD1 4.03Å; V152-L156 HydrophobicContact CG1-CG 4.37Å; V152-L156 WeakPolarHBondContact O-CG 3.41Å; V152-L156 PolarHBondContact O-N 3.02Å; V152-K165 HydrophobicContact CG1-CG 4.11Å; V152-F168 HydrophobicContact CG1-CB 4.29Å; V152-F168 HydrophobicContact CG1-CD1 3.92Å; V152-F168 HydrophobicContact CG1-CD2 4.32Å; V152-F168 HydrophobicContact CG1-CE1 4.39Å; V152-F168 HydrophobicContact CG1-CG 3.91Å; V152-F168 HydrophobicContact CG2-CE1 4.47Å |
| 153 | S | 95.6 | Very high | 94.7 | Very high | 87 Ų | 87 | 66.6 Ų | 66.6 | 61% | 0.608 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.2 | -40.5 | 177.9 | 48 | 0 | 0 | 0 | 0 | 112.3 | S151 L156 S157 | S151-S153 VanDerWaalsContact C-N 3.25Å; S151-S153 PolarHBondContact O-N 2.88Å; S151-S153 PolarHBondContact OG-OG 2.97Å; S153-L156 PolarHBondContact O-N 3.13Å; S153-S157 PolarHBondContact O-N 3.17Å; S153-S157 VanDerWaalsContact O-N 3.13Å |
| 154 | Y | 94.9 | Very high | 94.6 | Very high | 115 Ų | 115 | 64.9 Ų | 64.9 | 45% | 0.451 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -76.6 | -27.5 | 179.5 | -153.6 | -96.5 | 0 | 0 | 0 | 112.5 | H101 F102 S151 V152 S157 | H101-Y154 AromaticContact NE2-CE1 3.84Å; F102-Y154 AromaticContact CE1-CD1 3.31Å; F102-Y154 HydrophobicContact CE1-CD1 3.31Å; F102-Y154 AromaticContact CE1-CE1 3.74Å; F102-Y154 HydrophobicContact CE1-CE1 3.74Å; F102-Y154 HydrophobicContact CE1-CG 4.39Å; F102-Y154 AromaticContact CZ-CD1 3.52Å; F102-Y154 HydrophobicContact CZ-CD1 3.52Å; F102-Y154 HydrophobicContact CZ-CE1 4.04Å; S151-Y154 PolarHBondContact O-N 3.06Å; S151-Y154 WeakPolarHBondContact OG-CB 3.42Å; S151-Y154 PolarHBondContact OG-N 3.4Å; V152-Y154 VanDerWaalsContact C-N 3.34Å; V152-Y154 PolarHBondContact O-N 3.33Å; Y154-S157 PolarHBondContact O-OG 3.45Å |
| 155 | L | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -70.4 | -35.4 | 169.7 | -71.1 | 175.3 | 0 | 0 | 0 | 112.6 | F102 V135 L138 L139 P150 S151 V152 L158 F168 | F102-L155 HydrophobicContact CE2-CD2 3.77Å; F102-L155 HydrophobicContact CZ-CD2 3.83Å; V135-L155 HydrophobicContact CB-CB 4.47Å; V135-L155 HydrophobicContact CB-CD2 4.48Å; L138-L155 HydrophobicContact CD2-CD2 4.29Å; L139-L155 HydrophobicContact CB-CD1 3.66Å; L139-L155 HydrophobicContact CD1-CD1 3.83Å; L139-L155 HydrophobicContact CD2-CD1 4.41Å; L139-L155 HydrophobicContact CG-CD1 4.16Å; P150-L155 HydrophobicContact CB-CD2 4.35Å; P150-L155 HydrophobicContact CB-CG 4.27Å; P150-L155 HydrophobicContact CG-CD1 4.05Å; P150-L155 HydrophobicContact CG-CD2 4.01Å; P150-L155 HydrophobicContact CG-CG 4.12Å; S151-L155 PolarHBondContact O-N 3.36Å; V152-L155 PolarHBondContact O-N 2.76Å; L155-L158 HydrophobicContact CD2-CD1 4.33Å; L155-L158 WeakPolarHBondContact O-CB 3.43Å; L155-L158 PolarHBondContact O-N 3Å; L155-F168 HydrophobicContact CB-CE2 4.1Å; L155-F168 HydrophobicContact CB-CZ 4.48Å; L155-F168 HydrophobicContact CD1-CE2 4.33Å; L155-F168 HydrophobicContact CD1-CZ 3.9Å |
| 156 | L | 95.1 | Very high | 94.6 | Very high | 11 Ų | 11 | 71.1 Ų | 71.1 | 6% | 0.058 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.8 | -36.3 | 176.4 | -77 | 172.8 | 0 | 0 | 0 | 112.6 | L132 V152 S153 L158 C159 D161 F163 K165 F168 | L132-L156 HydrophobicContact CD1-CD2 4.31Å; V152-L156 HydrophobicContact CG1-CD1 4.03Å; V152-L156 HydrophobicContact CG1-CG 4.37Å; V152-L156 WeakPolarHBondContact O-CG 3.41Å; V152-L156 PolarHBondContact O-N 3.02Å; S153-L156 PolarHBondContact O-N 3.13Å; L156-L158 PolarHBondContact O-N 2.93Å; L156-C159 CarbonylContact O-C 3.54Å; L156-C159 WeakPolarHBondContact O-CA 3.3Å; L156-C159 WeakPolarHBondContact O-CB 3.35Å; L156-C159 PolarHBondContact O-N 3Å; L156-D161 PolarHBondContact O-N 3.12Å; L156-F163 HydrophobicContact CD2-CB 3.84Å; L156-K165 HydrophobicContact CD1-CB 4.24Å; L156-F168 HydrophobicContact CD2-CB 4.19Å; L156-F168 HydrophobicContact CD2-CD2 3.78Å; L156-F168 HydrophobicContact CD2-CG 4.43Å; L156-F168 HydrophobicContact CG-CD2 4.1Å |
| 157 | S | 94.6 | Very high | 94.6 | Very high | 51 Ų | 51 | 73.2 Ų | 73.2 | 36% | 0.357 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.7 | -28.4 | 177.1 | 71.3 | 0 | 0 | 0 | 0 | 112.6 | S153 Y154 C159 C160 D161 | S153-S157 PolarHBondContact O-N 3.17Å; S153-S157 VanDerWaalsContact O-N 3.13Å; Y154-S157 PolarHBondContact O-OG 3.45Å; S157-C159 PolarHBondContact O-N 3.1Å; S157-C160 PolarHBondContact O-N 3.18Å; S157-D161 WeakPolarHBondContact CA-OD1 3.32Å; S157-D161 PolarHBondContact N-OD1 3.22Å |
| 158 | L | 92.8 | Very high | 94.7 | Very high | 45 Ų | 45 | 67 Ų | 67 | 24% | 0.236 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -22.4 | 171.4 | -65.5 | 177.9 | 0 | 0 | 0 | 113.6 | W94 V98 F102 Q131 L155 L156 C160 | W94-L158 HydrophobicContact CH2-CB 4.15Å; W94-L158 HydrophobicContact CZ2-CB 3.97Å; V98-L158 HydrophobicContact CG1-CD1 3.63Å; V98-L158 HydrophobicContact CG2-CD1 4.49Å; F102-L158 HydrophobicContact CE2-CD1 3.6Å; F102-L158 HydrophobicContact CZ-CD1 3.9Å; Q131-L158 PolarHBondContact NE2-O 3.1Å; L155-L158 HydrophobicContact CD2-CD1 4.33Å; L155-L158 WeakPolarHBondContact O-CB 3.43Å; L155-L158 PolarHBondContact O-N 3Å; L156-L158 PolarHBondContact O-N 2.93Å; L158-C160 VanDerWaalsContact C-N 3.29Å |
| 159 | C | 91.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.014 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 21 | 174.3 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | L156 S157 D161 A162 F163 | L156-C159 CarbonylContact O-C 3.54Å; L156-C159 WeakPolarHBondContact O-CA 3.3Å; L156-C159 WeakPolarHBondContact O-CB 3.35Å; L156-C159 PolarHBondContact O-N 3Å; S157-C159 PolarHBondContact O-N 3.1Å; C159-D161 PolarHBondContact O-N 2.93Å; C159-D161 VanDerWaalsContact O-N 3.13Å; C159-A162 WeakPolarHBondContact O-CB 3.39Å; C159-A162 PolarHBondContact O-N 3.09Å; C159-F163 HydrophobicContact CB-CD2 3.8Å; C159-F163 HydrophobicContact CB-CE2 3.95Å |
| 160 | C | 90.4 | Very high | 95 | Very high | 116 Ų | 116 | 63.3 Ų | 63.3 | 78% | 0.784 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 33.4 | -175.7 | -58.7 | 0 | 0 | 0 | 0 | 113.1 | S157 L158 A162 | S157-C160 PolarHBondContact O-N 3.18Å; L158-C160 VanDerWaalsContact C-N 3.29Å; C160-A162 PolarHBondContact O-N 3.36Å |
| 161 | D | 84.2 | Confident | 95.1 | Very high | 114 Ų | 114 | 63.7 Ų | 63.7 | 61% | 0.61 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 27.9 | -176.3 | -59.5 | -48.1 | 0 | 0 | 0 | 114 | L156 S157 C159 F163 | L156-D161 PolarHBondContact O-N 3.12Å; S157-D161 WeakPolarHBondContact CA-OD1 3.32Å; S157-D161 PolarHBondContact N-OD1 3.22Å; C159-D161 PolarHBondContact O-N 2.93Å; C159-D161 VanDerWaalsContact O-N 3.13Å; D161-F163 PolarHBondContact O-N 2.94Å; D161-F163 VanDerWaalsContact O-N 3.16Å |
| 162 | A | 92.6 | Very high | 95.2 | Very high | 71 Ų | 71 | 62 Ų | 62 | 59% | 0.587 | 34% | 0.342 | S | S | * | . | trans | -65.6 | -14.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C159 C160 | C159-A162 WeakPolarHBondContact O-CB 3.39Å; C159-A162 PolarHBondContact O-N 3.09Å; C160-A162 PolarHBondContact O-N 3.36Å | ||
| 163 | F | 96.3 | Very high | 95.3 | Very high | 27 Ų | 27 | 64 Ų | 64 | 12% | 0.118 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -126.3 | 149.4 | -177.7 | -51.6 | -76.9 | 0 | 0 | 0 | 111.6 | D128 L132 L156 C159 D161 | D128-F163 VanDerWaalsContact O-CZ 3.27Å; D128-F163 WeakPolarHBondContact O-CZ 3.36Å; L132-F163 HydrophobicContact CB-CD1 4.28Å; L132-F163 HydrophobicContact CB-CD2 3.91Å; L132-F163 HydrophobicContact CB-CE1 4.13Å; L132-F163 HydrophobicContact CB-CE2 3.77Å; L132-F163 HydrophobicContact CB-CG 4.17Å; L132-F163 HydrophobicContact CB-CZ 3.89Å; L132-F163 HydrophobicContact CD1-CB 3.99Å; L132-F163 HydrophobicContact CD1-CD2 3.88Å; L132-F163 HydrophobicContact CD1-CG 3.88Å; L132-F163 HydrophobicContact CD2-CB 4.24Å; L132-F163 HydrophobicContact CD2-CD1 3.72Å; L132-F163 HydrophobicContact CD2-CD2 4.44Å; L132-F163 HydrophobicContact CD2-CE1 4.19Å; L132-F163 HydrophobicContact CD2-CG 3.86Å; L132-F163 HydrophobicContact CG-CD1 4.39Å; L132-F163 HydrophobicContact CG-CD2 4.27Å; L132-F163 HydrophobicContact CG-CG 4.17Å; L156-F163 HydrophobicContact CD2-CB 3.84Å; C159-F163 HydrophobicContact CB-CD2 3.8Å; C159-F163 HydrophobicContact CB-CE2 3.95Å; D161-F163 PolarHBondContact O-N 2.94Å; D161-F163 VanDerWaalsContact O-N 3.16Å |
| 164 | T | 97.1 | Very high | 95.4 | Very high | 75 Ų | 75 | 63 Ų | 63 | 46% | 0.46 | 34% | 0.344 | S | S | . | . | trans | -84.2 | 158.1 | 174.2 | 74 | 0 | 0 | 0 | 0 | 111.4 | E166 Q167 F168 | T164-E166 PolarHBondContact O-N 3.19Å; T164-E166 PolarHBondContact OG1-N 2.94Å; T164-Q167 PolarHBondContact O-N 3.07Å; T164-Q167 VanDerWaalsContact O-N 3.16Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.47Å; T164-Q167 PolarHBondContact OG1-N 3.24Å; T164-Q167 VanDerWaalsContact OG1-N 3.15Å; T164-F168 PolarHBondContact O-N 3.22Å | ||
| 165 | K | 97.1 | Very high | 95.6 | Very high | 144 Ų | 144 | 57.5 Ų | 57.5 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -55.9 | -36.4 | 171.3 | -173.5 | 177.7 | 179.6 | -178.3 | 0 | 112.3 | V152 L156 F168 C169 | V152-K165 HydrophobicContact CG1-CG 4.11Å; L156-K165 HydrophobicContact CD1-CB 4.24Å; K165-F168 PolarHBondContact O-N 2.99Å; K165-C169 WeakPolarHBondContact O-CB 3.33Å; K165-C169 PolarHBondContact O-N 2.97Å; K165-C169 PolarHBondContact O-SG 3.45Å; K165-C169 VanDerWaalsContact O-SG 3.34Å |
| 166 | E | 97.4 | Very high | 95.8 | Very high | 139 Ų | 139 | 58.9 Ų | 58.9 | 65% | 0.65 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.9 | -45.6 | 177 | -174.8 | -179.4 | 178.7 | 0 | 0 | 111.7 | T164 F168 C169 N170 | T164-E166 PolarHBondContact O-N 3.19Å; T164-E166 PolarHBondContact OG1-N 2.94Å; E166-F168 VanDerWaalsContact C-N 3.3Å; E166-F168 PolarHBondContact O-N 3.22Å; E166-C169 PolarHBondContact O-N 3.3Å; E166-N170 VanDerWaalsContact O-CB 3.32Å; E166-N170 WeakPolarHBondContact O-CB 3.17Å; E166-N170 PolarHBondContact O-N 3.24Å; E166-N170 PolarHBondContact O-ND2 3.16Å |
| 167 | Q | 97.4 | Very high | 95.9 | Very high | 92 Ų | 92 | 63.8 Ų | 63.8 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.8 | -42.6 | 175.4 | -72.7 | 170.9 | -41.8 | 0 | 0 | 111.5 | L132 T164 N170 L171 | L132-Q167 HydrophobicContact CD2-CB 4.46Å; T164-Q167 PolarHBondContact O-N 3.07Å; T164-Q167 VanDerWaalsContact O-N 3.16Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.47Å; T164-Q167 PolarHBondContact OG1-N 3.24Å; T164-Q167 VanDerWaalsContact OG1-N 3.15Å; Q167-N170 PolarHBondContact O-N 2.98Å; Q167-L171 WeakPolarHBondContact O-CB 3.5Å; Q167-L171 PolarHBondContact O-N 2.72Å |
| 168 | F | 98 | Very high | 96 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.6 | -52.7 | 176.2 | -167.6 | -68.1 | 0 | 0 | 0 | 111.7 | L132 V135 T136 L139 V152 L155 L156 T164 K165 E166 N170 L171 E172 | L132-F168 HydrophobicContact CD1-CB 4.25Å; L132-F168 HydrophobicContact CD1-CD2 3.58Å; L132-F168 HydrophobicContact CD1-CE2 4.31Å; L132-F168 HydrophobicContact CD1-CG 4.23Å; V135-F168 HydrophobicContact CB-CE2 4.36Å; V135-F168 HydrophobicContact CG2-CD2 4.42Å; V135-F168 HydrophobicContact CG2-CE2 3.73Å; T136-F168 HydrophobicContact CG2-CE1 4.36Å; L139-F168 HydrophobicContact CB-CE1 4.33Å; L139-F168 HydrophobicContact CB-CZ 4.05Å; L139-F168 HydrophobicContact CD2-CE1 3.43Å; L139-F168 VanDerWaalsContact CD2-CE1 3.43Å; L139-F168 HydrophobicContact CD2-CZ 3.86Å; V152-F168 HydrophobicContact CG1-CB 4.29Å; V152-F168 HydrophobicContact CG1-CD1 3.92Å; V152-F168 HydrophobicContact CG1-CD2 4.32Å; V152-F168 HydrophobicContact CG1-CE1 4.39Å; V152-F168 HydrophobicContact CG1-CG 3.91Å; V152-F168 HydrophobicContact CG2-CE1 4.47Å; L155-F168 HydrophobicContact CB-CE2 4.1Å; L155-F168 HydrophobicContact CB-CZ 4.48Å; L155-F168 HydrophobicContact CD1-CE2 4.33Å; L155-F168 HydrophobicContact CD1-CZ 3.9Å; L156-F168 HydrophobicContact CD2-CB 4.19Å; L156-F168 HydrophobicContact CD2-CD2 3.78Å; L156-F168 HydrophobicContact CD2-CG 4.43Å; L156-F168 HydrophobicContact CG-CD2 4.1Å; T164-F168 PolarHBondContact O-N 3.22Å; K165-F168 PolarHBondContact O-N 2.99Å; E166-F168 VanDerWaalsContact C-N 3.3Å; E166-F168 PolarHBondContact O-N 3.22Å; F168-N170 VanDerWaalsContact C-N 3.32Å; F168-N170 PolarHBondContact O-N 2.94Å; F168-L171 PolarHBondContact O-N 3.1Å; F168-E172 PolarHBondContact O-N 3.49Å |
| 169 | C | 97.7 | Very high | 96.2 | Very high | 41 Ų | 41 | 66.1 Ų | 66.1 | 28% | 0.277 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | -179.3 | -70.5 | 0 | 0 | 0 | 0 | 112.2 | K165 E166 E172 C173 | K165-C169 WeakPolarHBondContact O-CB 3.33Å; K165-C169 PolarHBondContact O-N 2.97Å; K165-C169 PolarHBondContact O-SG 3.45Å; K165-C169 VanDerWaalsContact O-SG 3.34Å; E166-C169 PolarHBondContact O-N 3.3Å; C169-E172 WeakPolarHBondContact O-CB 3.04Å; C169-E172 PolarHBondContact O-N 2.89Å; C169-C173 PolarHBondContact O-N 3.3Å; C169-C173 PolarHBondContact O-SG 3.25Å; C169-C173 VanDerWaalsContact O-SG 3.41Å |
| 170 | N | 98.1 | Very high | 96.5 | Very high | 94 Ų | 94 | 72 Ų | 72 | 50% | 0.503 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 174.7 | -73 | -20.9 | 0 | 0 | 0 | 111.5 | E166 Q167 F168 L174 | E166-N170 VanDerWaalsContact O-CB 3.32Å; E166-N170 WeakPolarHBondContact O-CB 3.17Å; E166-N170 PolarHBondContact O-N 3.24Å; E166-N170 PolarHBondContact O-ND2 3.16Å; Q167-N170 PolarHBondContact O-N 2.98Å; F168-N170 VanDerWaalsContact C-N 3.32Å; F168-N170 PolarHBondContact O-N 2.94Å; N170-L174 WeakPolarHBondContact O-CB 3.32Å; N170-L174 PolarHBondContact O-N 2.9Å |
| 171 | L | 98.4 | Very high | 96.9 | Very high | 25 Ų | 25 | 73 Ų | 73 | 13% | 0.131 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67 | -39.7 | 175.5 | -173.7 | 60 | 0 | 0 | 0 | 111.8 | F119 L132 L133 T136 Q167 F168 C173 L174 V175 | F119-L171 HydrophobicContact CE1-CD1 4.43Å; F119-L171 HydrophobicContact CZ-CD1 4.14Å; L132-L171 HydrophobicContact CB-CD2 4.26Å; L132-L171 HydrophobicContact CD2-CD2 3.9Å; L132-L171 HydrophobicContact CG-CD2 3.68Å; L133-L171 HydrophobicContact CB-CD2 4.26Å; T136-L171 HydrophobicContact CG2-CG 4.26Å; Q167-L171 WeakPolarHBondContact O-CB 3.5Å; Q167-L171 PolarHBondContact O-N 2.72Å; F168-L171 PolarHBondContact O-N 3.1Å; L171-C173 PolarHBondContact O-N 2.95Å; L171-L174 HydrophobicContact CD1-CD2 4.28Å; L171-L174 PolarHBondContact O-N 2.79Å; L171-L174 VanDerWaalsContact O-N 3.16Å; L171-V175 HydrophobicContact CD1-CG2 4.25Å; L171-V175 HydrophobicContact CG-CG2 4.28Å; L171-V175 VanDerWaalsContact O-CG2 3.3Å; L171-V175 WeakPolarHBondContact O-CG2 3.26Å; L171-V175 PolarHBondContact O-N 3.34Å |
| 172 | E | 98.4 | Very high | 97.5 | Very high | 26 Ų | 26 | 72.6 Ų | 72.6 | 12% | 0.121 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.1 | -52 | 174.6 | -175.6 | -178.4 | -135.4 | 0 | 0 | 111.1 | T136 L139 L140 K143 F168 C169 L174 V175 L176 | T136-E172 HydrophobicContact CG2-CB 3.97Å; L139-E172 WeakPolarHBondContact CD2-OE1 3.25Å; L140-E172 HydrophobicContact CD2-CG 3.67Å; L140-E172 HydrophobicContact CG-CG 4.22Å; K143-E172 IonicContact NZ-OE1 3.76Å; K143-E172 PolarHBondContact NZ-OE1 3.48Å; K143-E172 IonicContact NZ-OE2 2.73Å; F168-E172 PolarHBondContact O-N 3.49Å; C169-E172 WeakPolarHBondContact O-CB 3.04Å; C169-E172 PolarHBondContact O-N 2.89Å; E172-L174 VanDerWaalsContact C-N 3.32Å; E172-L174 PolarHBondContact O-N 3.43Å; E172-V175 PolarHBondContact O-N 2.87Å; E172-L176 HydrophobicContact CG-CD1 4.3Å; E172-L176 WeakPolarHBondContact O-CG 3.43Å; E172-L176 PolarHBondContact O-N 3.04Å |
| 173 | C | 98.4 | Very high | 97.7 | Very high | 68 Ų | 68 | 69.8 Ų | 69.8 | 46% | 0.459 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 175.4 | -71.8 | 0 | 0 | 0 | 0 | 112 | C169 L171 L176 L177 | C169-C173 PolarHBondContact O-N 3.3Å; C169-C173 PolarHBondContact O-SG 3.25Å; C169-C173 VanDerWaalsContact O-SG 3.41Å; L171-C173 PolarHBondContact O-N 2.95Å; C173-L176 PolarHBondContact O-N 3.01Å; C173-L177 WeakPolarHBondContact O-CB 3.38Å; C173-L177 VanDerWaalsContact O-CG 3.25Å; C173-L177 WeakPolarHBondContact O-CG 3.49Å; C173-L177 PolarHBondContact O-N 3.41Å |
| 174 | L | 98.4 | Very high | 97.6 | Very high | 67 Ų | 67 | 71.1 Ų | 71.1 | 35% | 0.351 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | -179.9 | -177.8 | 61.9 | 0 | 0 | 0 | 111.9 | F119 N170 L171 E172 L177 R178 | F119-L174 HydrophobicContact CE2-CG 4.09Å; F119-L174 HydrophobicContact CZ-CD2 4.02Å; F119-L174 HydrophobicContact CZ-CG 4.09Å; N170-L174 WeakPolarHBondContact O-CB 3.32Å; N170-L174 PolarHBondContact O-N 2.9Å; L171-L174 HydrophobicContact CD1-CD2 4.28Å; L171-L174 PolarHBondContact O-N 2.79Å; L171-L174 VanDerWaalsContact O-N 3.16Å; E172-L174 VanDerWaalsContact C-N 3.32Å; E172-L174 PolarHBondContact O-N 3.43Å; L174-L177 PolarHBondContact O-N 3.4Å; L174-R178 HydrophobicContact CD1-CG 4.04Å; L174-R178 HydrophobicContact CG-CG 4.36Å; L174-R178 WeakPolarHBondContact O-CB 3.24Å; L174-R178 WeakPolarHBondContact O-CG 3.43Å; L174-R178 PolarHBondContact O-N 2.98Å |
| 175 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 177 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | I115 F119 L133 T136 L140 L171 E172 L177 R178 L179 | I115-V175 HydrophobicContact CG2-CG1 3.7Å; F119-V175 HydrophobicContact CD1-CG2 4.49Å; F119-V175 HydrophobicContact CD2-CB 4.09Å; F119-V175 HydrophobicContact CD2-CG1 4.23Å; F119-V175 HydrophobicContact CD2-CG2 3.7Å; F119-V175 HydrophobicContact CE1-CG2 4.49Å; F119-V175 HydrophobicContact CE2-CB 4.23Å; F119-V175 HydrophobicContact CE2-CG2 3.7Å; F119-V175 HydrophobicContact CG-CG2 4.09Å; F119-V175 HydrophobicContact CZ-CG2 4.1Å; L133-V175 HydrophobicContact CD1-CG2 3.82Å; T136-V175 HydrophobicContact CG2-CG2 4.44Å; L140-V175 HydrophobicContact CD1-CB 3.82Å; L140-V175 HydrophobicContact CD1-CG1 3.45Å; L140-V175 VanDerWaalsContact CD1-CG1 3.45Å; L171-V175 HydrophobicContact CD1-CG2 4.25Å; L171-V175 HydrophobicContact CG-CG2 4.28Å; L171-V175 VanDerWaalsContact O-CG2 3.3Å; L171-V175 WeakPolarHBondContact O-CG2 3.26Å; L171-V175 PolarHBondContact O-N 3.34Å; E172-V175 PolarHBondContact O-N 2.87Å; V175-L177 PolarHBondContact O-N 3.44Å; V175-R178 PolarHBondContact O-N 3.27Å; V175-L179 HydrophobicContact CG1-CD1 3.94Å; V175-L179 HydrophobicContact CG1-CG 4.41Å; V175-L179 WeakPolarHBondContact O-CB 3.21Å; V175-L179 WeakPolarHBondContact O-CG 3.5Å; V175-L179 PolarHBondContact O-N 3.41Å |
| 176 | L | 98.6 | Very high | 97.5 | Very high | 28 Ų | 28 | 61.1 Ų | 61.1 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 177.9 | -73.5 | 170.7 | 0 | 0 | 0 | 112.4 | L140 E172 C173 L179 N180 F181 L183 | L140-L176 HydrophobicContact CD1-CD2 4.44Å; L140-L176 HydrophobicContact CD1-CG 4.34Å; L140-L176 HydrophobicContact CD2-CD1 4.02Å; L140-L176 HydrophobicContact CD2-CD2 3.76Å; L140-L176 HydrophobicContact CD2-CG 3.84Å; E172-L176 HydrophobicContact CG-CD1 4.3Å; E172-L176 WeakPolarHBondContact O-CG 3.43Å; E172-L176 PolarHBondContact O-N 3.04Å; C173-L176 PolarHBondContact O-N 3.01Å; L176-L179 PolarHBondContact O-N 2.86Å; L176-N180 PolarHBondContact O-N 3.47Å; L176-N180 VanDerWaalsContact O-N 3.1Å; L176-F181 HydrophobicContact CB-CD1 4.31Å; L176-F181 HydrophobicContact CB-CE1 3.92Å; L176-F181 HydrophobicContact CB-CE2 4.23Å; L176-F181 HydrophobicContact CB-CZ 3.87Å; L176-F181 HydrophobicContact CD1-CE1 3.95Å; L176-F181 HydrophobicContact CD1-CZ 4.38Å; L176-F181 HydrophobicContact CD2-CD1 3.89Å; L176-F181 HydrophobicContact CD2-CE1 3.99Å; L176-F181 HydrophobicContact CG-CE1 4.19Å; L176-F181 PolarHBondContact O-N 3.41Å; L176-L183 HydrophobicContact CD2-CD1 3.8Å; L176-L183 HydrophobicContact CD2-CD2 4.33Å; L176-L183 HydrophobicContact CD2-CG 4.35Å |
| 177 | L | 98.2 | Very high | 97.5 | Very high | 114 Ų | 114 | 54.7 Ų | 54.7 | 60% | 0.597 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.3 | -44.7 | 178.4 | -71.6 | 171.3 | 0 | 0 | 0 | 111.6 | C173 L174 V175 L179 N180 F181 | C173-L177 WeakPolarHBondContact O-CB 3.38Å; C173-L177 VanDerWaalsContact O-CG 3.25Å; C173-L177 WeakPolarHBondContact O-CG 3.49Å; C173-L177 PolarHBondContact O-N 3.41Å; L174-L177 PolarHBondContact O-N 3.4Å; V175-L177 PolarHBondContact O-N 3.44Å; L177-L179 VanDerWaalsContact C-N 3.3Å; L177-L179 PolarHBondContact O-N 3.41Å; L177-N180 PolarHBondContact O-N 3.15Å; L177-N180 VanDerWaalsContact O-N 3.16Å; L177-F181 HydrophobicContact CD2-CE2 4.35Å |
| 178 | R | 97.4 | Very high | 97.4 | Very high | 138 Ų | 138 | 50.7 Ų | 50.7 | 52% | 0.521 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.2 | -32.4 | -179.8 | -73 | -68.1 | -178.9 | 173.9 | 0.9 | 113 | F119 L174 V175 N180 | F119-R178 HydrophobicContact CD2-CB 3.95Å; F119-R178 HydrophobicContact CD2-CG 4.35Å; F119-R178 HydrophobicContact CE2-CB 3.92Å; F119-R178 HydrophobicContact CE2-CG 3.84Å; L174-R178 HydrophobicContact CD1-CG 4.04Å; L174-R178 HydrophobicContact CG-CG 4.36Å; L174-R178 WeakPolarHBondContact O-CB 3.24Å; L174-R178 WeakPolarHBondContact O-CG 3.43Å; L174-R178 PolarHBondContact O-N 2.98Å; V175-R178 PolarHBondContact O-N 3.27Å; R178-N180 VanDerWaalsContact C-N 3.33Å |
| 179 | L | 97.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 3.5 | 176.9 | -60.2 | -174.5 | 0 | 0 | 0 | 113.3 | I115 R118 V175 L176 L177 F181 R182 L183 | I115-L179 HydrophobicContact CB-CD1 4.34Å; I115-L179 HydrophobicContact CG1-CD1 4.44Å; I115-L179 HydrophobicContact CG2-CD1 3.85Å; R118-L179 HydrophobicContact CB-CD2 3.64Å; V175-L179 HydrophobicContact CG1-CD1 3.94Å; V175-L179 HydrophobicContact CG1-CG 4.41Å; V175-L179 WeakPolarHBondContact O-CB 3.21Å; V175-L179 WeakPolarHBondContact O-CG 3.5Å; V175-L179 PolarHBondContact O-N 3.41Å; L176-L179 PolarHBondContact O-N 2.86Å; L177-L179 VanDerWaalsContact C-N 3.3Å; L177-L179 PolarHBondContact O-N 3.41Å; L179-F181 PolarHBondContact O-N 3.24Å; L179-R182 WeakPolarHBondContact O-CB 3.46Å; L179-R182 PolarHBondContact O-N 2.84Å; L179-L183 HydrophobicContact CD1-CD2 4.1Å |
| 180 | N | 97.3 | Very high | 97.3 | Very high | 125 Ų | 125 | 51.4 Ų | 51.4 | 67% | 0.668 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 38.5 | -176 | -58.3 | -63.7 | 0 | 0 | 0 | 112.7 | L176 L177 R178 R182 | L176-N180 PolarHBondContact O-N 3.47Å; L176-N180 VanDerWaalsContact O-N 3.1Å; L177-N180 PolarHBondContact O-N 3.15Å; L177-N180 VanDerWaalsContact O-N 3.16Å; R178-N180 VanDerWaalsContact C-N 3.33Å; N180-R182 HydrophobicContact CB-CG 4.49Å; N180-R182 PolarHBondContact O-N 2.97Å |
| 181 | F | 97.9 | Very high | 97.2 | Very high | 137 Ų | 137 | 47 Ų | 47 | 60% | 0.601 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 14.2 | -175.1 | -67.5 | -100.4 | 0 | 0 | 0 | 114.8 | L176 L177 L179 L183 | L176-F181 HydrophobicContact CB-CD1 4.31Å; L176-F181 HydrophobicContact CB-CE1 3.92Å; L176-F181 HydrophobicContact CB-CE2 4.23Å; L176-F181 HydrophobicContact CB-CZ 3.87Å; L176-F181 HydrophobicContact CD1-CE1 3.95Å; L176-F181 HydrophobicContact CD1-CZ 4.38Å; L176-F181 HydrophobicContact CD2-CD1 3.89Å; L176-F181 HydrophobicContact CD2-CE1 3.99Å; L176-F181 HydrophobicContact CG-CE1 4.19Å; L176-F181 PolarHBondContact O-N 3.41Å; L177-F181 HydrophobicContact CD2-CE2 4.35Å; L179-F181 PolarHBondContact O-N 3.24Å; F181-L183 VanDerWaalsContact C-N 3.31Å; F181-L183 PolarHBondContact O-N 2.95Å |
| 182 | R | 97.1 | Very high | 97 | Very high | 106 Ų | 106 | 45.9 Ų | 45.9 | 40% | 0.4 | 23% | 0.23 | S | C | . | . | trans | -82.4 | 78.8 | 175.8 | -61.7 | -174.8 | 62.1 | -178.6 | 0.8 | 109 | F71 R118 L179 N180 | F71-R182 HydrophobicContact CE1-CB 4Å; F71-R182 WeakPolarHBondContact CE1-O 3.48Å; F71-R182 HydrophobicContact CZ-CB 4.24Å; R118-R182 VanDerWaalsContact CZ-O 3.31Å; R118-R182 PolarHBondContact NH1-O 2.68Å; R118-R182 PolarHBondContact NH2-O 3.21Å; L179-R182 WeakPolarHBondContact O-CB 3.46Å; L179-R182 PolarHBondContact O-N 2.84Å; N180-R182 HydrophobicContact CB-CG 4.49Å; N180-R182 PolarHBondContact O-N 2.97Å | ||
| 183 | L | 96.5 | Very high | 96.7 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | trans | -92.2 | -35.9 | -178.7 | -58.7 | -174.7 | 0 | 0 | 0 | 113.2 | L111 I115 L140 Q144 L176 L179 F181 S185 | L111-L183 WeakPolarHBondContact CD1-O 3.43Å; I115-L183 HydrophobicContact CD1-CD2 4.02Å; I115-L183 HydrophobicContact CG1-CD2 4.1Å; L140-L183 HydrophobicContact CB-CD1 4.47Å; Q144-L183 HydrophobicContact CG-CB 4.4Å; L176-L183 HydrophobicContact CD2-CD1 3.8Å; L176-L183 HydrophobicContact CD2-CD2 4.33Å; L176-L183 HydrophobicContact CD2-CG 4.35Å; L179-L183 HydrophobicContact CD1-CD2 4.1Å; F181-L183 VanDerWaalsContact C-N 3.31Å; F181-L183 PolarHBondContact O-N 2.95Å; L183-S185 VanDerWaalsContact C-N 3.28Å; L183-S185 PolarHBondContact O-N 3.42Å | ||
| 184 | A | 93.7 | Very high | 96.4 | Very high | 55 Ų | 55 | 46.9 Ų | 46.9 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | trans | -70.5 | 74.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F71 | F71-A184 WeakPolarHBondContact CZ-O 3.34Š| ||
| 185 | S | 95.9 | Very high | 96 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | trans | -82.3 | 149.8 | 175.1 | 63.8 | 0 | 0 | 0 | 0 | 111.9 | F71 L111 N114 L183 T187 | F71-S185 VanDerWaalsContact CD1-CB 3.47Å; L111-S185 WeakPolarHBondContact CD1-OG 3.37Å; N114-S185 VanDerWaalsContact CG-CB 3.48Å; N114-S185 VanDerWaalsContact CG-OG 3.24Å; N114-S185 WeakPolarHBondContact OD1-CB 3.32Å; N114-S185 PolarHBondContact OD1-OG 3.32Å; L183-S185 VanDerWaalsContact C-N 3.28Å; L183-S185 PolarHBondContact O-N 3.42Å; S185-T187 WeakPolarHBondContact O-CG2 3.47Å; S185-T187 PolarHBondContact O-N 3.18Å | ||
| 186 | P | 96.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | trans | -58.8 | 134.9 | 164.8 | -20.5 | 33.1 | 0 | 0 | 0 | 111.2 | Q64 K67 E68 F191 | Q64-P186 HydrophobicContact CB-CB 4.31Å; Q64-P186 WeakPolarHBondContact O-CG 3.36Å; K67-P186 HydrophobicContact CB-CG 3.57Å; E68-P186 HydrophobicContact CG-CB 3.87Å; E68-P186 HydrophobicContact CG-CG 4.07Å; P186-F191 HydrophobicContact CB-CE2 3.8Å; P186-F191 HydrophobicContact CB-CZ 4.17Å | ||
| 187 | T | 97.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | trans | -119.8 | 159.1 | -172.9 | 57.9 | 0 | 0 | 0 | 0 | 112.2 | E107 C110 S185 A189 F190 F191 | E107-T187 VanDerWaalsContact CD-OG1 3.23Å; E107-T187 WeakPolarHBondContact OE1-CG2 3.43Å; E107-T187 PolarHBondContact OE1-OG1 3.38Å; E107-T187 VanDerWaalsContact OE2-CB 3.3Å; E107-T187 WeakPolarHBondContact OE2-CB 3.33Å; E107-T187 PolarHBondContact OE2-OG1 3.27Å; C110-T187 HydrophobicContact CB-CG2 3.82Å; S185-T187 WeakPolarHBondContact O-CG2 3.47Å; S185-T187 PolarHBondContact O-N 3.18Å; T187-A189 VanDerWaalsContact C-N 3.25Å; T187-A189 PolarHBondContact O-N 2.9Å; T187-F190 WeakPolarHBondContact OG1-CB 3.37Å; T187-F190 PolarHBondContact OG1-N 3.21Å; T187-F190 VanDerWaalsContact OG1-N 3.13Å; T187-F191 WeakPolarHBondContact O-CD2 3.41Å; T187-F191 PolarHBondContact O-N 3.32Å | ||
| 188 | L | 96.9 | Very high | 94.2 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.8 | -38.2 | 170.6 | -66.1 | 171.9 | 0 | 0 | 0 | 111.6 | F106 F191 L192 C225 L229 P239 I242 | F106-L188 HydrophobicContact CE1-CB 4.16Å; F106-L188 HydrophobicContact CZ-CB 4.18Å; L188-F191 PolarHBondContact O-N 2.7Å; L188-L192 WeakPolarHBondContact O-CB 3.38Å; L188-L192 PolarHBondContact O-N 2.87Å; L188-C225 HydrophobicContact CB-CB 4.41Å; L188-C225 HydrophobicContact CD1-CB 4.05Å; L188-L229 HydrophobicContact CD1-CD2 3.63Å; L188-L229 HydrophobicContact CD1-CG 3.96Å; L188-P239 HydrophobicContact CD2-CB 3.87Å; L188-P239 VanDerWaalsContact CD2-O 3.25Å; L188-P239 WeakPolarHBondContact CD2-O 3.23Å; L188-P239 HydrophobicContact CG-CB 4.3Å; L188-I242 HydrophobicContact CD2-CB 3.56Å; L188-I242 HydrophobicContact CD2-CD1 4.15Å; L188-I242 HydrophobicContact CD2-CG1 4.42Å; L188-I242 HydrophobicContact CD2-CG2 3.63Å |
| 189 | A | 96.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.6 | -51.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F106 E107 T187 F191 L192 D193 | F106-A189 HydrophobicContact CB-CB 4.32Å; F106-A189 HydrophobicContact CD1-CB 3.37Å; F106-A189 HydrophobicContact CE1-CB 3.9Å; F106-A189 HydrophobicContact CG-CB 4.1Å; E107-A189 HydrophobicContact CB-CB 4.12Å; E107-A189 WeakPolarHBondContact OE2-CB 3.45Å; T187-A189 VanDerWaalsContact C-N 3.25Å; T187-A189 PolarHBondContact O-N 2.9Å; A189-F191 PolarHBondContact O-N 3.45Å; A189-L192 PolarHBondContact O-N 3.45Å; A189-D193 WeakPolarHBondContact O-CB 3.47Å; A189-D193 VanDerWaalsContact O-CG 3.26Å; A189-D193 PolarHBondContact O-N 3.01Å |
| 190 | F | 95.7 | Very high | 92.6 | Very high | 54 Ų | 54 | 37.7 Ų | 37.7 | 24% | 0.237 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.3 | -49 | 176.7 | 175.3 | -88.4 | 0 | 0 | 0 | 112.7 | Q64 T187 D193 Y194 | Q64-F190 HydrophobicContact CB-CD1 3.9Å; Q64-F190 HydrophobicContact CB-CE1 3.64Å; Q64-F190 HydrophobicContact CB-CZ 4.28Å; Q64-F190 HydrophobicContact CG-CD1 3.72Å; Q64-F190 HydrophobicContact CG-CD2 4.32Å; Q64-F190 HydrophobicContact CG-CE1 3.45Å; Q64-F190 VanDerWaalsContact CG-CE1 3.45Å; Q64-F190 HydrophobicContact CG-CE2 4.07Å; Q64-F190 HydrophobicContact CG-CG 4.17Å; Q64-F190 HydrophobicContact CG-CZ 3.64Å; T187-F190 WeakPolarHBondContact OG1-CB 3.37Å; T187-F190 PolarHBondContact OG1-N 3.21Å; T187-F190 VanDerWaalsContact OG1-N 3.13Å; F190-D193 PolarHBondContact O-N 3.44Å; F190-Y194 WeakPolarHBondContact O-CB 3.44Å; F190-Y194 PolarHBondContact O-N 3.37Å |
| 191 | F | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.4 | -37.3 | -178.8 | -71.2 | -61.8 | 0 | 0 | 0 | 112.4 | F61 Q64 R65 E68 P186 T187 L188 A189 Y194 F195 P239 S240 A243 | F61-F191 AromaticContact CD2-CD1 3.86Å; F61-F191 HydrophobicContact CD2-CD1 3.86Å; F61-F191 AromaticContact CD2-CE1 3.85Å; F61-F191 HydrophobicContact CD2-CE1 3.85Å; F61-F191 AromaticContact CE2-CD1 3.88Å; F61-F191 HydrophobicContact CE2-CD1 3.88Å; F61-F191 AromaticContact CE2-CE1 3.92Å; F61-F191 HydrophobicContact CE2-CE1 3.92Å; Q64-F191 HydrophobicContact CB-CE1 4.04Å; Q64-F191 HydrophobicContact CB-CZ 3.77Å; R65-F191 HydrophobicContact CG-CE1 3.8Å; R65-F191 HydrophobicContact CG-CZ 4.17Å; E68-F191 HydrophobicContact CG-CE2 4Å; E68-F191 HydrophobicContact CG-CZ 4.02Å; E68-F191 WeakPolarHBondContact OE1-CE2 3.26Å; P186-F191 HydrophobicContact CB-CE2 3.8Å; P186-F191 HydrophobicContact CB-CZ 4.17Å; T187-F191 WeakPolarHBondContact O-CD2 3.41Å; T187-F191 PolarHBondContact O-N 3.32Å; L188-F191 PolarHBondContact O-N 2.7Å; A189-F191 PolarHBondContact O-N 3.45Å; F191-Y194 PolarHBondContact O-N 3.27Å; F191-F195 HydrophobicContact CB-CD2 4.4Å; F191-F195 HydrophobicContact CB-CE2 4.09Å; F191-F195 WeakPolarHBondContact O-CD2 3.31Å; F191-F195 WeakPolarHBondContact O-CG 3.33Å; F191-F195 PolarHBondContact O-N 3.12Å; F191-P239 HydrophobicContact CD2-CB 3.8Å; F191-P239 HydrophobicContact CE2-CB 3.98Å; F191-S240 VanDerWaalsContact CD2-N 3.32Å; F191-A243 HydrophobicContact CB-CB 3.62Å |
| 192 | L | 94.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.1 | -43.1 | 176.9 | 179.7 | 61.4 | 0 | 0 | 0 | 111.3 | L188 A189 Y194 F195 S196 A221 Q222 A243 L247 | L188-L192 WeakPolarHBondContact O-CB 3.38Å; L188-L192 PolarHBondContact O-N 2.87Å; A189-L192 PolarHBondContact O-N 3.45Å; L192-Y194 VanDerWaalsContact C-N 3.34Å; L192-F195 PolarHBondContact O-N 3.3Å; L192-S196 VanDerWaalsContact O-CB 3.24Å; L192-S196 WeakPolarHBondContact O-CB 3.44Å; L192-S196 PolarHBondContact O-N 3.38Å; L192-S196 PolarHBondContact O-OG 3.38Å; L192-A221 HydrophobicContact CD1-CB 3.64Å; L192-A221 HydrophobicContact CD2-CB 4.34Å; L192-Q222 HydrophobicContact CD2-CB 3.72Å; L192-Q222 HydrophobicContact CD2-CG 4.34Å; L192-A243 HydrophobicContact CB-CB 4.24Å; L192-L247 HydrophobicContact CD1-CB 4.11Å; L192-L247 HydrophobicContact CD1-CD1 4.29Å |
| 193 | D | 92.4 | Very high | 89 | Confident | 97 Ų | 97 | 25.8 Ų | 25.8 | 52% | 0.519 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 175.1 | -70 | -13.1 | 0 | 0 | 0 | 109.9 | A189 F190 S196 S197 | A189-D193 WeakPolarHBondContact O-CB 3.47Å; A189-D193 VanDerWaalsContact O-CG 3.26Å; A189-D193 PolarHBondContact O-N 3.01Å; F190-D193 PolarHBondContact O-N 3.44Å; D193-S196 PolarHBondContact O-N 2.84Å; D193-S197 WeakPolarHBondContact O-CB 3.44Å; D193-S197 PolarHBondContact O-N 2.69Å; D193-S197 PolarHBondContact O-OG 3.08Å |
| 194 | Y | 91.6 | Very high | 87.1 | Confident | 18 Ų | 18 | 30.9 Ų | 30.9 | 7% | 0.071 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.8 | -53.6 | 175.6 | 176.3 | -94.9 | 0 | 0 | 0 | 111.9 | Y53 G57 D58 F61 F190 F191 L192 S196 S197 L198 | Y53-Y194 AromaticContact CE2-CD2 3.91Å; Y53-Y194 HydrophobicContact CE2-CD2 3.91Å; Y53-Y194 AromaticContact CZ-CD2 3.64Å; Y53-Y194 VanDerWaalsContact OH-C 3.28Å; Y53-Y194 WeakPolarHBondContact OH-CA 3.5Å; Y53-Y194 WeakPolarHBondContact OH-CD2 3.37Å; Y53-Y194 WeakPolarHBondContact OH-CE2 3.47Å; Y53-Y194 VanDerWaalsContact OH-CG 3.32Å; Y53-Y194 PolarHBondContact OH-O 2.67Å; G57-Y194 WeakPolarHBondContact O-CE2 3.38Å; D58-Y194 PolarHBondContact OD1-OH 3.31Å; F61-Y194 HydrophobicContact CB-CD1 4.27Å; F61-Y194 HydrophobicContact CB-CD2 3.86Å; F61-Y194 HydrophobicContact CB-CE1 3.95Å; F61-Y194 HydrophobicContact CB-CE2 3.59Å; F61-Y194 HydrophobicContact CB-CG 4.23Å; F61-Y194 HydrophobicContact CD1-CE1 4.24Å; F61-Y194 AromaticContact CD2-CD1 3.47Å; F61-Y194 HydrophobicContact CD2-CD1 3.47Å; F61-Y194 VanDerWaalsContact CD2-CD1 3.47Å; F61-Y194 AromaticContact CD2-CE1 3.41Å; F61-Y194 HydrophobicContact CD2-CE1 3.41Å; F61-Y194 VanDerWaalsContact CD2-CE1 3.41Å; F61-Y194 HydrophobicContact CD2-CG 4.06Å; F61-Y194 HydrophobicContact CE2-CD1 4.05Å; F61-Y194 AromaticContact CE2-CE1 3.91Å; F61-Y194 HydrophobicContact CE2-CE1 3.91Å; F61-Y194 HydrophobicContact CG-CD1 4.04Å; F61-Y194 HydrophobicContact CG-CD2 4.49Å; F61-Y194 AromaticContact CG-CE1 3.6Å; F61-Y194 HydrophobicContact CG-CE1 3.6Å; F61-Y194 HydrophobicContact CG-CE2 4.18Å; F61-Y194 HydrophobicContact CG-CG 4.47Å; F61-Y194 AromaticContact CG-CZ 3.7Å; F190-Y194 WeakPolarHBondContact O-CB 3.44Å; F190-Y194 PolarHBondContact O-N 3.37Å; F191-Y194 PolarHBondContact O-N 3.27Å; L192-Y194 VanDerWaalsContact C-N 3.34Å; Y194-S196 VanDerWaalsContact C-N 3.3Å; Y194-S196 PolarHBondContact O-N 3.14Å; Y194-S197 PolarHBondContact O-N 3.33Å; Y194-L198 HydrophobicContact CD1-CD1 4.03Å; Y194-L198 HydrophobicContact CE1-CD1 3.38Å; Y194-L198 HydrophobicContact CE1-CG 4.16Å; Y194-L198 HydrophobicContact CE2-CD1 4.41Å; Y194-L198 HydrophobicContact CE2-CG 4.46Å; Y194-L198 PolarHBondContact O-N 3.05Å |
| 195 | F | 90.2 | Very high | 85.2 | Confident | 9 Ų | 9 | 34.1 Ų | 34.1 | 4% | 0.039 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.2 | -34.3 | -179.6 | -65 | -55.5 | 0 | 0 | 0 | 112.8 | F61 F191 L192 L198 V199 S240 A243 C244 L247 A264 V266 | F61-F195 HydrophobicContact CE2-CE1 4.17Å; F61-F195 AromaticContact CE2-CZ 3.87Å; F61-F195 HydrophobicContact CE2-CZ 3.87Å; F61-F195 HydrophobicContact CZ-CZ 4.45Å; F191-F195 HydrophobicContact CB-CD2 4.4Å; F191-F195 HydrophobicContact CB-CE2 4.09Å; F191-F195 WeakPolarHBondContact O-CD2 3.31Å; F191-F195 WeakPolarHBondContact O-CG 3.33Å; F191-F195 PolarHBondContact O-N 3.12Å; L192-F195 PolarHBondContact O-N 3.3Å; F195-L198 HydrophobicContact CD1-CD1 4.45Å; F195-L198 PolarHBondContact O-N 2.81Å; F195-V199 WeakPolarHBondContact O-CG2 3.06Å; F195-V199 PolarHBondContact O-N 3.38Å; F195-V199 VanDerWaalsContact O-N 3.13Å; F195-S240 WeakPolarHBondContact CE2-O 3.17Å; F195-A243 HydrophobicContact CD2-CB 4.24Å; F195-A243 HydrophobicContact CE2-CB 4.34Å; F195-C244 HydrophobicContact CD2-CB 4.14Å; F195-C244 HydrophobicContact CE2-CB 3.72Å; F195-C244 HydrophobicContact CZ-CB 4.01Å; F195-L247 HydrophobicContact CB-CD2 3.53Å; F195-A264 HydrophobicContact CD1-CB 4.23Å; F195-A264 HydrophobicContact CE1-CB 4.14Å; F195-V266 HydrophobicContact CE1-CG2 4.11Å; F195-V266 HydrophobicContact CZ-CG2 4Å |
| 196 | S | 88.4 | Confident | 83.1 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 6% | 0.056 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.3 | -48 | 176.4 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | L192 D193 Y194 L198 V199 E200 S218 | L192-S196 VanDerWaalsContact O-CB 3.24Å; L192-S196 WeakPolarHBondContact O-CB 3.44Å; L192-S196 PolarHBondContact O-N 3.38Å; L192-S196 PolarHBondContact O-OG 3.38Å; D193-S196 PolarHBondContact O-N 2.84Å; Y194-S196 VanDerWaalsContact C-N 3.3Å; Y194-S196 PolarHBondContact O-N 3.14Å; S196-L198 VanDerWaalsContact C-N 3.32Å; S196-L198 PolarHBondContact O-N 3.27Å; S196-V199 PolarHBondContact O-N 3.43Å; S196-V199 VanDerWaalsContact O-N 3.12Å; S196-E200 WeakPolarHBondContact O-CG 3.5Å; S196-E200 PolarHBondContact O-N 3.39Å; S196-S218 WeakPolarHBondContact CB-OG 3.33Å; S196-S218 WeakPolarHBondContact OG-CB 3.1Å; S196-S218 PolarHBondContact OG-OG 3.2Å |
| 197 | S | 85.9 | Confident | 81.2 | Confident | 24 Ų | 24 | 47 Ų | 47 | 17% | 0.168 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.9 | -35.6 | 177.8 | -67.8 | 0 | 0 | 0 | 0 | 112.9 | D193 Y194 E200 A201 | D193-S197 WeakPolarHBondContact O-CB 3.44Å; D193-S197 PolarHBondContact O-N 2.69Å; D193-S197 PolarHBondContact O-OG 3.08Å; Y194-S197 PolarHBondContact O-N 3.33Å; S197-E200 PolarHBondContact O-N 2.92Å; S197-A201 WeakPolarHBondContact O-CB 3.35Å; S197-A201 PolarHBondContact O-N 3.12Å |
| 198 | L | 84.1 | Confident | 79.5 | Confident | 60 Ų | 60 | 51.8 Ų | 51.8 | 31% | 0.314 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 171.7 | -74.4 | -178.2 | 0 | 0 | 0 | 112.5 | Y194 F195 S196 A201 A202 | Y194-L198 HydrophobicContact CD1-CD1 4.03Å; Y194-L198 HydrophobicContact CE1-CD1 3.38Å; Y194-L198 HydrophobicContact CE1-CG 4.16Å; Y194-L198 HydrophobicContact CE2-CD1 4.41Å; Y194-L198 HydrophobicContact CE2-CG 4.46Å; Y194-L198 PolarHBondContact O-N 3.05Å; F195-L198 HydrophobicContact CD1-CD1 4.45Å; F195-L198 PolarHBondContact O-N 2.81Å; S196-L198 VanDerWaalsContact C-N 3.32Å; S196-L198 PolarHBondContact O-N 3.27Å; L198-A201 PolarHBondContact O-N 3.47Å; L198-A202 WeakPolarHBondContact O-CB 3.25Å; L198-A202 PolarHBondContact O-N 3.37Å |
| 199 | V | 80.7 | Confident | 78 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 7% | 0.073 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 178 | 173 | 0 | 0 | 0 | 0 | 110.7 | F195 S196 Q203 I214 L247 | F195-V199 WeakPolarHBondContact O-CG2 3.06Å; F195-V199 PolarHBondContact O-N 3.38Å; F195-V199 VanDerWaalsContact O-N 3.13Å; S196-V199 PolarHBondContact O-N 3.43Å; S196-V199 VanDerWaalsContact O-N 3.12Å; V199-Q203 WeakPolarHBondContact O-CG 3.38Å; V199-Q203 PolarHBondContact O-N 3.06Å; V199-I214 HydrophobicContact CB-CG2 4.49Å; V199-I214 HydrophobicContact CG1-CD1 4.35Å; V199-I214 HydrophobicContact CG1-CG1 4.27Å; V199-I214 HydrophobicContact CG1-CG2 3.91Å; V199-L247 HydrophobicContact CG2-CD2 4.25Å |
| 200 | E | 78.8 | Confident | 76.6 | Confident | 48 Ų | 48 | 56 Ų | 56 | 22% | 0.224 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 174.2 | -70.1 | -177.1 | 168.4 | 0 | 0 | 111.7 | S196 S197 A202 Q203 F204 I214 | S196-E200 WeakPolarHBondContact O-CG 3.5Å; S196-E200 PolarHBondContact O-N 3.39Å; S197-E200 PolarHBondContact O-N 2.92Å; E200-A202 VanDerWaalsContact C-N 3.34Å; E200-A202 PolarHBondContact O-N 3.36Å; E200-Q203 CarbonylContact O-C 3.54Å; E200-Q203 PolarHBondContact O-N 3.28Å; E200-Q203 VanDerWaalsContact O-N 3.07Å; E200-F204 PolarHBondContact O-N 3.16Å; E200-I214 HydrophobicContact CG-CB 4.46Å; E200-I214 HydrophobicContact CG-CD1 4.31Å; E200-I214 HydrophobicContact CG-CG2 3.66Å |
| 201 | A | 76.9 | Confident | 75.3 | Confident | 35 Ų | 35 | 55.5 Ų | 55.5 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L49 S197 L198 Q203 | L49-A201 VanDerWaalsContact CD1-CA 3.43Å; L49-A201 HydrophobicContact CD1-CB 3.36Å; S197-A201 WeakPolarHBondContact O-CB 3.35Å; S197-A201 PolarHBondContact O-N 3.12Å; L198-A201 PolarHBondContact O-N 3.47Å; A201-Q203 PolarHBondContact O-N 2.85Å |
| 202 | A | 73.6 | Confident | 74.5 | Confident | 58 Ų | 58 | 58 Ų | 58 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.8 | -25 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L198 E200 | L198-A202 WeakPolarHBondContact O-CB 3.25Å; L198-A202 PolarHBondContact O-N 3.37Å; E200-A202 VanDerWaalsContact C-N 3.34Å; E200-A202 PolarHBondContact O-N 3.36Å |
| 203 | Q | 67.3 | Low | 73.6 | Confident | 24 Ų | 24 | 61.2 Ų | 61.2 | 11% | 0.112 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -102.2 | -11.6 | -176.8 | -65.9 | -172.9 | 33.9 | 0 | 0 | 114.1 | V199 E200 A201 V205 R206 I214 R258 | V199-Q203 WeakPolarHBondContact O-CG 3.38Å; V199-Q203 PolarHBondContact O-N 3.06Å; E200-Q203 CarbonylContact O-C 3.54Å; E200-Q203 PolarHBondContact O-N 3.28Å; E200-Q203 VanDerWaalsContact O-N 3.07Å; A201-Q203 PolarHBondContact O-N 2.85Å; Q203-V205 PolarHBondContact O-N 3.13Å; Q203-R206 PolarHBondContact O-N 3.35Å; Q203-I214 HydrophobicContact CB-CD1 3.81Å; Q203-I214 HydrophobicContact CG-CD1 4.08Å; Q203-R258 PolarHBondContact NE2-O 3.4Å; Q203-R258 VanDerWaalsContact NE2-O 3.16Å |
| 204 | F | 56.9 | Low | 73 | Confident | 120 Ų | 120 | 56.8 Ų | 56.8 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -16.4 | 178.4 | -166.2 | -98.2 | 0 | 0 | 0 | 113.7 | G47 Q48 E200 R206 | G47-F204 WeakPolarHBondContact O-CE2 3.46Å; Q48-F204 HydrophobicContact CG-CZ 4.44Å; E200-F204 PolarHBondContact O-N 3.16Å; F204-R206 PolarHBondContact O-N 3.4Å |
| 205 | V | 53.3 | Low | 72.6 | Confident | 123 Ų | 123 | 60.8 Ų | 60.8 | 75% | 0.745 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -11.8 | 173.4 | -176.4 | 0 | 0 | 0 | 0 | 112.7 | Q203 | Q203-V205 PolarHBondContact O-N 3.13Š|
| 206 | R | 52.3 | Low | 72.4 | Confident | 174 Ų | 174 | 66.2 Ų | 66.2 | 66% | 0.657 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -144.7 | 124.2 | -171.8 | -61.9 | -172.3 | 176 | -172.4 | -2.5 | 114.6 | Q203 F204 | Q203-R206 PolarHBondContact O-N 3.35Å; F204-R206 PolarHBondContact O-N 3.4Å |
| 207 | V | 56.2 | Low | 72.4 | Confident | 107 Ų | 107 | 66 Ų | 66 | 65% | 0.648 | 36% | 0.357 | S | S | * | . | trans | 42.5 | 120.9 | 158.8 | -165.5 | 0 | 0 | 0 | 0 | 118.3 | S209 E210 | V207-S209 WeakPolarHBondContact CG1-OG 3.35Å; V207-S209 PolarHBondContact O-N 3.31Å; V207-E210 PolarHBondContact O-N 3.18Å; V207-E210 VanDerWaalsContact O-N 3.14Å | ||
| 208 | S | 61.4 | Low | 72.6 | Confident | 103 Ų | 103 | 65.7 Ų | 65.7 | 72% | 0.72 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -53.9 | -22 | -179.4 | -45.4 | 0 | 0 | 0 | 0 | 116.5 | E210 | S208-E210 VanDerWaalsContact C-N 3.35Å |
| 209 | S | 65.1 | Low | 72.9 | Confident | 71 Ų | 71 | 68.4 Ų | 68.4 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.8 | -25.3 | 179.3 | 59.7 | 0 | 0 | 0 | 0 | 114 | V207 | V207-S209 WeakPolarHBondContact CG1-OG 3.35Å; V207-S209 PolarHBondContact O-N 3.31Å |
| 210 | E | 66.6 | Low | 73.4 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 13% | 0.131 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -79.4 | -33.2 | -179.3 | -67.8 | -56.5 | 108.4 | 0 | 0 | 111.8 | V207 S208 A212 K213 I214 | V207-E210 PolarHBondContact O-N 3.18Å; V207-E210 VanDerWaalsContact O-N 3.14Å; S208-E210 VanDerWaalsContact C-N 3.35Å; E210-A212 VanDerWaalsContact C-N 3.28Å; E210-A212 PolarHBondContact O-N 3.03Å; E210-K213 WeakPolarHBondContact O-CA 3.41Å; E210-K213 WeakPolarHBondContact O-CB 2.91Å; E210-K213 PolarHBondContact O-N 2.85Å; E210-K213 WeakPolarHBondContact OE1-CE 3.41Å; E210-K213 IonicContact OE1-NZ 2.72Å; E210-K213 PolarHBondContact OE1-NZ 3.16Å; E210-K213 IonicContact OE2-NZ 3.27Å; E210-I214 WeakPolarHBondContact O-CG1 3.46Å; E210-I214 PolarHBondContact O-N 2.91Å |
| 211 | I | 70.3 | Confident | 74.2 | Confident | 44 Ų | 44 | 67.1 Ų | 67.1 | 23% | 0.226 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.2 | -41.8 | 176.5 | -60.4 | 174.2 | 0 | 0 | 0 | 111.1 | K213 I214 R215 | I211-K213 VanDerWaalsContact C-N 3.27Å; I211-K213 PolarHBondContact O-N 3.35Å; I211-I214 PolarHBondContact O-N 3.23Å; I211-R215 PolarHBondContact O-N 3.33Å |
| 212 | A | 77.1 | Confident | 75 | Confident | 51 Ų | 51 | 68.3 Ų | 68.3 | 42% | 0.421 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.6 | -29.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E210 K216 | E210-A212 VanDerWaalsContact C-N 3.28Å; E210-A212 PolarHBondContact O-N 3.03Å; A212-K216 WeakPolarHBondContact O-CG 3.46Å; A212-K216 PolarHBondContact O-N 3.23Å |
| 213 | K | 77.4 | Confident | 76 | Confident | 72 Ų | 72 | 66.6 Ų | 66.6 | 31% | 0.313 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -75.1 | -38.2 | 174.1 | -66 | 177.5 | -174.4 | 162.4 | 0 | 111.2 | E210 I211 K216 C217 | E210-K213 WeakPolarHBondContact O-CA 3.41Å; E210-K213 WeakPolarHBondContact O-CB 2.91Å; E210-K213 PolarHBondContact O-N 2.85Å; E210-K213 WeakPolarHBondContact OE1-CE 3.41Å; E210-K213 IonicContact OE1-NZ 2.72Å; E210-K213 PolarHBondContact OE1-NZ 3.16Å; E210-K213 IonicContact OE2-NZ 3.27Å; I211-K213 VanDerWaalsContact C-N 3.27Å; I211-K213 PolarHBondContact O-N 3.35Å; K213-K216 WeakPolarHBondContact O-CB 3.46Å; K213-K216 PolarHBondContact O-N 3.23Å; K213-C217 PolarHBondContact O-N 3.02Å; K213-C217 PolarHBondContact O-SG 2.93Å |
| 214 | I | 78.3 | Confident | 77.3 | Confident | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.8 | -48.7 | 176 | -58.9 | 165.7 | 0 | 0 | 0 | 110.4 | V199 E200 Q203 E210 I211 K216 C217 S218 | V199-I214 HydrophobicContact CB-CG2 4.49Å; V199-I214 HydrophobicContact CG1-CD1 4.35Å; V199-I214 HydrophobicContact CG1-CG1 4.27Å; V199-I214 HydrophobicContact CG1-CG2 3.91Å; E200-I214 HydrophobicContact CG-CB 4.46Å; E200-I214 HydrophobicContact CG-CD1 4.31Å; E200-I214 HydrophobicContact CG-CG2 3.66Å; Q203-I214 HydrophobicContact CB-CD1 3.81Å; Q203-I214 HydrophobicContact CG-CD1 4.08Å; E210-I214 WeakPolarHBondContact O-CG1 3.46Å; E210-I214 PolarHBondContact O-N 2.91Å; I211-I214 PolarHBondContact O-N 3.23Å; I214-K216 VanDerWaalsContact C-N 3.26Å; I214-K216 PolarHBondContact O-N 3.06Å; I214-C217 WeakPolarHBondContact O-CA 3.37Å; I214-C217 VanDerWaalsContact O-CB 3.25Å; I214-C217 WeakPolarHBondContact O-CB 3.4Å; I214-C217 PolarHBondContact O-N 2.94Å; I214-S218 PolarHBondContact O-N 2.66Å; I214-S218 PolarHBondContact O-OG 3.33Å |
| 215 | R | 83.1 | Confident | 79.2 | Confident | 101 Ų | 101 | 59.8 Ų | 59.8 | 38% | 0.381 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -54.6 | -43 | 176.5 | -71.5 | -177.2 | 178.8 | -174.8 | -1.2 | 111.9 | D46 I211 C217 S218 E219 | D46-R215 IonicContact OD1-CZ 2.68Å; D46-R215 IonicContact OD1-NH1 3.54Å; D46-R215 IonicContact OD1-NH2 2.67Å; D46-R215 PolarHBondContact OD1-NH2 2.68Å; I211-R215 PolarHBondContact O-N 3.33Å; R215-C217 VanDerWaalsContact C-N 3.31Å; R215-C217 PolarHBondContact O-N 3.37Å; R215-S218 PolarHBondContact O-N 3.09Å; R215-E219 WeakPolarHBondContact O-CG 3.34Å; R215-E219 PolarHBondContact O-N 2.95Å |
| 216 | K | 86.9 | Confident | 81.2 | Confident | 124 Ų | 124 | 54 Ų | 54 | 54% | 0.539 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.5 | -33.4 | 174.1 | -71.2 | 172.9 | -176.7 | 176.5 | 0 | 113.3 | A212 K213 I214 L220 L254 | A212-K216 WeakPolarHBondContact O-CG 3.46Å; A212-K216 PolarHBondContact O-N 3.23Å; K213-K216 WeakPolarHBondContact O-CB 3.46Å; K213-K216 PolarHBondContact O-N 3.23Å; I214-K216 VanDerWaalsContact C-N 3.26Å; I214-K216 PolarHBondContact O-N 3.06Å; K216-L220 WeakPolarHBondContact O-CB 3.3Å; K216-L220 PolarHBondContact O-N 2.78Å; K216-L220 VanDerWaalsContact O-N 3.07Å; K216-L254 HydrophobicContact CB-CD1 4.03Å |
| 217 | C | 88.1 | Confident | 83.2 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.5 | -46.5 | 173.3 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | K213 I214 R215 E219 L220 A221 L247 A250 L254 | K213-C217 PolarHBondContact O-N 3.02Å; K213-C217 PolarHBondContact O-SG 2.93Å; I214-C217 WeakPolarHBondContact O-CA 3.37Å; I214-C217 VanDerWaalsContact O-CB 3.25Å; I214-C217 WeakPolarHBondContact O-CB 3.4Å; I214-C217 PolarHBondContact O-N 2.94Å; R215-C217 VanDerWaalsContact C-N 3.31Å; R215-C217 PolarHBondContact O-N 3.37Å; C217-E219 PolarHBondContact O-N 2.75Å; C217-L220 PolarHBondContact O-N 2.69Å; C217-A221 VanDerWaalsContact O-CB 3.27Å; C217-A221 WeakPolarHBondContact O-CB 3.18Å; C217-A221 PolarHBondContact O-N 3.26Å; C217-L247 HydrophobicContact CB-CD1 4.49Å; C217-A250 HydrophobicContact CB-CB 4.39Å; C217-A250 VanDerWaalsContact O-CB 3.23Å; C217-A250 WeakPolarHBondContact O-CB 3.34Å; C217-L254 HydrophobicContact CB-CD1 4.36Å |
| 218 | S | 90.1 | Very high | 85.2 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.9 | -43 | 177.2 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | S196 I214 R215 L220 A221 Q222 | S196-S218 WeakPolarHBondContact CB-OG 3.33Å; S196-S218 WeakPolarHBondContact OG-CB 3.1Å; S196-S218 PolarHBondContact OG-OG 3.2Å; I214-S218 PolarHBondContact O-N 2.66Å; I214-S218 PolarHBondContact O-OG 3.33Å; R215-S218 PolarHBondContact O-N 3.09Å; S218-L220 PolarHBondContact O-N 3.21Å; S218-A221 PolarHBondContact O-N 3.43Å; S218-Q222 WeakPolarHBondContact O-CB 3.5Å; S218-Q222 PolarHBondContact O-N 3.25Å |
| 219 | E | 91.1 | Very high | 86.9 | Confident | 116 Ų | 116 | 37.6 Ų | 37.6 | 54% | 0.542 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 174.2 | -74.2 | 173.6 | -166.2 | 0 | 0 | 112.2 | R215 C217 Q222 K223 | R215-E219 WeakPolarHBondContact O-CG 3.34Å; R215-E219 PolarHBondContact O-N 2.95Å; C217-E219 PolarHBondContact O-N 2.75Å; E219-Q222 PolarHBondContact O-N 3.39Å; E219-K223 WeakPolarHBondContact O-CG 3.25Å; E219-K223 PolarHBondContact O-N 2.78Å; E219-K223 VanDerWaalsContact O-N 3.14Å |
| 220 | L | 91.4 | Very high | 88.3 | Confident | 34 Ų | 34 | 34.6 Ų | 34.6 | 18% | 0.178 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 177.7 | 176.9 | 59.8 | 0 | 0 | 0 | 111.2 | K216 C217 S218 Q222 K223 V224 A250 L253 L254 | K216-L220 WeakPolarHBondContact O-CB 3.3Å; K216-L220 PolarHBondContact O-N 2.78Å; K216-L220 VanDerWaalsContact O-N 3.07Å; C217-L220 PolarHBondContact O-N 2.69Å; S218-L220 PolarHBondContact O-N 3.21Å; L220-Q222 VanDerWaalsContact C-N 3.31Å; L220-Q222 PolarHBondContact O-N 2.87Å; L220-K223 WeakPolarHBondContact O-CB 3.46Å; L220-K223 PolarHBondContact O-N 2.86Å; L220-K223 VanDerWaalsContact O-N 3.12Å; L220-V224 WeakPolarHBondContact O-CG2 3.12Å; L220-V224 PolarHBondContact O-N 3.48Å; L220-A250 HydrophobicContact CB-CB 4.02Å; L220-A250 HydrophobicContact CD2-CB 3.98Å; L220-A250 HydrophobicContact CG-CB 3.94Å; L220-L253 HydrophobicContact CD2-CB 4.25Å; L220-L253 HydrophobicContact CD2-CD1 4.19Å; L220-L254 HydrophobicContact CB-CD1 4.48Å; L220-L254 HydrophobicContact CD2-CD1 4.08Å; L220-L254 HydrophobicContact CD2-CG 4.04Å |
| 221 | A | 94.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L192 C217 S218 K223 V224 C225 A246 L247 A250 | L192-A221 HydrophobicContact CD1-CB 3.64Å; L192-A221 HydrophobicContact CD2-CB 4.34Å; C217-A221 VanDerWaalsContact O-CB 3.27Å; C217-A221 WeakPolarHBondContact O-CB 3.18Å; C217-A221 PolarHBondContact O-N 3.26Å; S218-A221 PolarHBondContact O-N 3.43Å; A221-K223 VanDerWaalsContact C-N 3.32Å; A221-K223 PolarHBondContact O-N 3.01Å; A221-V224 WeakPolarHBondContact O-CB 3.13Å; A221-V224 PolarHBondContact O-N 3.4Å; A221-V224 VanDerWaalsContact O-N 3.15Å; A221-C225 PolarHBondContact O-N 3.44Å; A221-C225 PolarHBondContact O-SG 2.99Å; A221-A246 HydrophobicContact CB-CB 4.48Å; A221-L247 HydrophobicContact CB-CB 4.28Å; A221-L247 HydrophobicContact CB-CD1 4.06Å; A221-A250 HydrophobicContact CB-CB 3.9Å |
| 222 | Q | 95.3 | Very high | 90.8 | Very high | 59 Ų | 59 | 36.2 Ų | 36.2 | 28% | 0.276 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.7 | -42.3 | 174.3 | -171.9 | -176.6 | -32 | 0 | 0 | 111.5 | F106 L192 S218 E219 L220 V224 C225 E226 | F106-Q222 HydrophobicContact CB-CG 4.45Å; F106-Q222 HydrophobicContact CD1-CG 3.65Å; F106-Q222 HydrophobicContact CD2-CG 4.21Å; F106-Q222 HydrophobicContact CE1-CG 3.92Å; F106-Q222 HydrophobicContact CE2-CG 4.44Å; F106-Q222 HydrophobicContact CG-CG 3.83Å; F106-Q222 HydrophobicContact CZ-CG 4.32Å; L192-Q222 HydrophobicContact CD2-CB 3.72Å; L192-Q222 HydrophobicContact CD2-CG 4.34Å; S218-Q222 WeakPolarHBondContact O-CB 3.5Å; S218-Q222 PolarHBondContact O-N 3.25Å; E219-Q222 PolarHBondContact O-N 3.39Å; L220-Q222 VanDerWaalsContact C-N 3.31Å; L220-Q222 PolarHBondContact O-N 2.87Å; Q222-V224 VanDerWaalsContact C-N 3.33Å; Q222-V224 PolarHBondContact O-N 3.3Å; Q222-C225 WeakPolarHBondContact O-CB 3.45Å; Q222-C225 PolarHBondContact O-N 2.92Å; Q222-E226 WeakPolarHBondContact O-CG 3.34Å; Q222-E226 PolarHBondContact O-N 2.93Å |
| 223 | K | 93 | Very high | 91.6 | Very high | 23 Ų | 23 | 36.4 Ų | 36.4 | 10% | 0.1 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.6 | -37.8 | 175.5 | -61.3 | -62.8 | 152.4 | -155.1 | 0 | 112.6 | E219 L220 A221 E226 L227 L291 L294 M298 | E219-K223 WeakPolarHBondContact O-CG 3.25Å; E219-K223 PolarHBondContact O-N 2.78Å; E219-K223 VanDerWaalsContact O-N 3.14Å; L220-K223 WeakPolarHBondContact O-CB 3.46Å; L220-K223 PolarHBondContact O-N 2.86Å; L220-K223 VanDerWaalsContact O-N 3.12Å; A221-K223 VanDerWaalsContact C-N 3.32Å; A221-K223 PolarHBondContact O-N 3.01Å; K223-E226 IonicContact NZ-OE1 2.79Å; K223-E226 PolarHBondContact NZ-OE1 3.48Å; K223-E226 IonicContact NZ-OE2 3.67Å; K223-E226 PolarHBondContact NZ-OE2 2.78Å; K223-E226 PolarHBondContact O-N 3.24Å; K223-L227 WeakPolarHBondContact O-CG 3.45Å; K223-L227 PolarHBondContact O-N 3.45Å; K223-L291 HydrophobicContact CB-CD2 3.78Å; K223-L294 HydrophobicContact CD-CD1 4.38Å; K223-M298 VanDerWaalsContact CE-SD 3.58Å; K223-M298 PolarHBondContact NZ-SD 3Å |
| 224 | V | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 173 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | L220 A221 Q222 E226 L227 T228 A246 L280 V284 | L220-V224 WeakPolarHBondContact O-CG2 3.12Å; L220-V224 PolarHBondContact O-N 3.48Å; A221-V224 WeakPolarHBondContact O-CB 3.13Å; A221-V224 PolarHBondContact O-N 3.4Å; A221-V224 VanDerWaalsContact O-N 3.15Å; Q222-V224 VanDerWaalsContact C-N 3.33Å; Q222-V224 PolarHBondContact O-N 3.3Å; V224-E226 VanDerWaalsContact C-N 3.34Å; V224-E226 PolarHBondContact O-N 3.44Å; V224-L227 WeakPolarHBondContact O-CB 3.44Å; V224-L227 PolarHBondContact O-N 3.44Å; V224-L227 VanDerWaalsContact O-N 3.1Å; V224-T228 WeakPolarHBondContact O-CG2 3.45Å; V224-T228 PolarHBondContact O-N 3.24Å; V224-T228 VanDerWaalsContact O-N 3.1Å; V224-A246 HydrophobicContact CB-CB 4.21Å; V224-A246 HydrophobicContact CG1-CB 3.9Å; V224-L280 HydrophobicContact CG1-CD2 3.72Å; V224-V284 HydrophobicContact CG1-CG2 4.27Å; V224-V284 HydrophobicContact CG2-CG2 3.73Å |
| 225 | C | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.3 | -41.7 | 175.6 | -67.9 | 0 | 0 | 0 | 0 | 112.3 | F106 L188 A221 Q222 L227 T228 L229 | F106-C225 HydrophobicContact CE1-CB 4.09Å; F106-C225 HydrophobicContact CZ-CB 3.6Å; L188-C225 HydrophobicContact CB-CB 4.41Å; L188-C225 HydrophobicContact CD1-CB 4.05Å; A221-C225 PolarHBondContact O-N 3.44Å; A221-C225 PolarHBondContact O-SG 2.99Å; Q222-C225 WeakPolarHBondContact O-CB 3.45Å; Q222-C225 PolarHBondContact O-N 2.92Å; C225-L227 VanDerWaalsContact C-N 3.3Å; C225-L227 PolarHBondContact O-N 2.87Å; C225-T228 WeakPolarHBondContact CA-OG1 3.4Å; C225-T228 PolarHBondContact O-N 3.13Å; C225-T228 VanDerWaalsContact O-N 3.1Å; C225-T228 PolarHBondContact O-OG1 3.08Å; C225-L229 PolarHBondContact O-N 3.33Å; C225-L229 VanDerWaalsContact O-N 3.11Å |
| 226 | E | 95.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.4 | -42.3 | 173.6 | -74.1 | 174.6 | -166.7 | 0 | 0 | 111.7 | I96 K100 F106 Q222 K223 V224 T228 L229 | I96-E226 HydrophobicContact CD1-CB 4.41Å; I96-E226 VanDerWaalsContact CD1-O 3.31Å; I96-E226 WeakPolarHBondContact CD1-O 3.19Å; K100-E226 WeakPolarHBondContact CE-OE1 3.43Å; K100-E226 VanDerWaalsContact NZ-CD 3.33Å; K100-E226 IonicContact NZ-OE1 3.69Å; K100-E226 PolarHBondContact NZ-OE1 3Å; K100-E226 IonicContact NZ-OE2 3.99Å; K100-E226 PolarHBondContact NZ-OE2 2.9Å; F106-E226 HydrophobicContact CD2-CG 3.99Å; F106-E226 HydrophobicContact CE2-CG 3.59Å; F106-E226 HydrophobicContact CZ-CG 4.46Å; Q222-E226 WeakPolarHBondContact O-CG 3.34Å; Q222-E226 PolarHBondContact O-N 2.93Å; K223-E226 IonicContact NZ-OE1 2.79Å; K223-E226 PolarHBondContact NZ-OE1 3.48Å; K223-E226 IonicContact NZ-OE2 3.67Å; K223-E226 PolarHBondContact NZ-OE2 2.78Å; K223-E226 PolarHBondContact O-N 3.24Å; V224-E226 VanDerWaalsContact C-N 3.34Å; V224-E226 PolarHBondContact O-N 3.44Å; E226-T228 VanDerWaalsContact C-N 3.34Å; E226-T228 PolarHBondContact O-N 2.85Å; E226-L229 WeakPolarHBondContact O-CB 3.18Å; E226-L229 PolarHBondContact O-N 3.41Å |
| 227 | L | 95.2 | Very high | 93.9 | Very high | 22 Ų | 22 | 28.4 Ų | 28.4 | 12% | 0.115 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.8 | -39.8 | 175.9 | -64.1 | 173.8 | 0 | 0 | 0 | 111.8 | K223 V224 C225 L229 A230 D231 L283 N287 L291 | K223-L227 WeakPolarHBondContact O-CG 3.45Å; K223-L227 PolarHBondContact O-N 3.45Å; V224-L227 WeakPolarHBondContact O-CB 3.44Å; V224-L227 PolarHBondContact O-N 3.44Å; V224-L227 VanDerWaalsContact O-N 3.1Å; C225-L227 VanDerWaalsContact C-N 3.3Å; C225-L227 PolarHBondContact O-N 2.87Å; L227-L229 VanDerWaalsContact C-N 3.26Å; L227-L229 PolarHBondContact O-N 3.38Å; L227-A230 PolarHBondContact O-N 2.51Å; L227-D231 PolarHBondContact O-N 3.32Å; L227-L283 HydrophobicContact CB-CD2 3.69Å; L227-L283 HydrophobicContact CB-CG 4.14Å; L227-N287 HydrophobicContact CD1-CB 3.75Å; L227-N287 HydrophobicContact CD2-CB 4.34Å; L227-L291 HydrophobicContact CD1-CD1 4.24Å; L227-L291 HydrophobicContact CD1-CD2 3.93Å; L227-L291 HydrophobicContact CD1-CG 4.15Å |
| 228 | T | 97.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.2 | -26.9 | 178.5 | 66.7 | 0 | 0 | 0 | 0 | 113.4 | V224 C225 E226 A230 F234 I242 L280 L283 | V224-T228 WeakPolarHBondContact O-CG2 3.45Å; V224-T228 PolarHBondContact O-N 3.24Å; V224-T228 VanDerWaalsContact O-N 3.1Å; C225-T228 WeakPolarHBondContact CA-OG1 3.4Å; C225-T228 PolarHBondContact O-N 3.13Å; C225-T228 VanDerWaalsContact O-N 3.1Å; C225-T228 PolarHBondContact O-OG1 3.08Å; E226-T228 VanDerWaalsContact C-N 3.34Å; E226-T228 PolarHBondContact O-N 2.85Å; T228-A230 VanDerWaalsContact C-N 3.28Å; T228-A230 PolarHBondContact O-N 3.29Å; T228-F234 HydrophobicContact CG2-CD1 3.65Å; T228-F234 HydrophobicContact CG2-CD2 4.34Å; T228-F234 HydrophobicContact CG2-CE1 3.84Å; T228-F234 HydrophobicContact CG2-CE2 4.49Å; T228-F234 HydrophobicContact CG2-CG 3.92Å; T228-F234 HydrophobicContact CG2-CZ 4.24Å; T228-I242 HydrophobicContact CG2-CG2 3.93Å; T228-L280 HydrophobicContact CG2-CD2 3.38Å; T228-L283 HydrophobicContact CG2-CD2 3.79Å |
| 229 | L | 96.7 | Very high | 94.5 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 7% | 0.073 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.3 | -38.5 | 175 | -70.3 | 176.4 | 0 | 0 | 0 | 111.2 | R88 V92 F106 V113 L188 C225 E226 L227 | R88-L229 PolarHBondContact NH1-O 2.99Å; R88-L229 PolarHBondContact NH2-O 3.29Å; R88-L229 VanDerWaalsContact NH2-O 3.11Å; V92-L229 HydrophobicContact CG1-CB 4.05Å; F106-L229 HydrophobicContact CE2-CD1 3.9Å; F106-L229 HydrophobicContact CZ-CD1 4.44Å; V113-L229 HydrophobicContact CB-CD2 4.26Å; V113-L229 HydrophobicContact CG1-CD2 4.28Å; V113-L229 HydrophobicContact CG2-CB 4.35Å; V113-L229 HydrophobicContact CG2-CD2 4.42Å; L188-L229 HydrophobicContact CD1-CD2 3.63Å; L188-L229 HydrophobicContact CD1-CG 3.96Å; C225-L229 PolarHBondContact O-N 3.33Å; C225-L229 VanDerWaalsContact O-N 3.11Å; E226-L229 WeakPolarHBondContact O-CB 3.18Å; E226-L229 PolarHBondContact O-N 3.41Å; L227-L229 VanDerWaalsContact C-N 3.26Å; L227-L229 PolarHBondContact O-N 3.38Å |
| 230 | A | 95.4 | Very high | 94.7 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 6% | 0.058 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -76.5 | -39.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R88 C89 V92 S93 I96 L227 T228 Y232 | R88-A230 PolarHBondContact NH1-O 3.49Å; C89-A230 WeakPolarHBondContact CA-O 3.21Å; C89-A230 WeakPolarHBondContact CB-O 3.49Å; V92-A230 HydrophobicContact CB-CB 4.25Å; V92-A230 HydrophobicContact CG1-CB 4.04Å; S93-A230 WeakPolarHBondContact OG-CB 3.32Å; I96-A230 HydrophobicContact CD1-CB 4.49Å; L227-A230 PolarHBondContact O-N 2.51Å; T228-A230 VanDerWaalsContact C-N 3.28Å; T228-A230 PolarHBondContact O-N 3.29Å; A230-Y232 PolarHBondContact O-N 3.48Å |
| 231 | D | 95.1 | Very high | 94.8 | Very high | 55 Ų | 55 | 22.5 Ų | 22.5 | 29% | 0.294 | 12% | 0.119 | S | C | . | . | trans | -77.5 | 111.1 | -178.5 | -171.6 | -17.4 | 0 | 0 | 0 | 111.9 | L227 A233 F234 L283 | L227-D231 PolarHBondContact O-N 3.32Å; D231-A233 PolarHBondContact O-N 3.38Å; D231-A233 VanDerWaalsContact O-N 3.12Å; D231-A233 VanDerWaalsContact OD1-CB 3.27Å; D231-A233 WeakPolarHBondContact OD1-CB 3.04Å; D231-A233 PolarHBondContact OD1-N 2.82Å; D231-F234 HydrophobicContact CB-CD2 3.8Å; D231-F234 HydrophobicContact CB-CE2 4.26Å; D231-F234 PolarHBondContact O-N 3.43Å; D231-F234 VanDerWaalsContact O-N 3.08Å; D231-L283 HydrophobicContact CB-CD1 4.33Å | ||
| 232 | Y | 94.8 | Very high | 94.9 | Very high | 52 Ų | 52 | 23 Ų | 23 | 20% | 0.204 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -60.4 | -24.3 | -178.3 | -169.7 | -117.8 | 0 | 0 | 0 | 113.8 | Q75 S76 L77 A85 A230 F234 N235 | Q75-Y232 VanDerWaalsContact C-OH 3.27Å; Q75-Y232 WeakPolarHBondContact CA-OH 3.43Å; S76-Y232 PolarHBondContact N-OH 3.5Å; S76-Y232 VanDerWaalsContact N-OH 3.1Å; S76-Y232 WeakPolarHBondContact OG-CE2 3.3Å; S76-Y232 PolarHBondContact OG-OH 3.28Å; L77-Y232 HydrophobicContact CB-CE1 4.32Å; L77-Y232 HydrophobicContact CD1-CD1 4.1Å; L77-Y232 HydrophobicContact CD1-CD2 4.04Å; L77-Y232 HydrophobicContact CD1-CE1 3.95Å; L77-Y232 HydrophobicContact CD1-CE2 3.89Å; L77-Y232 HydrophobicContact CD1-CG 4.14Å; L77-Y232 HydrophobicContact CG-CD2 4.49Å; L77-Y232 HydrophobicContact CG-CE1 4.3Å; L77-Y232 HydrophobicContact CG-CE2 3.88Å; L77-Y232 PolarHBondContact N-OH 3.23Å; L77-Y232 VanDerWaalsContact N-OH 3.08Å; A85-Y232 HydrophobicContact CB-CD1 3.87Å; A85-Y232 HydrophobicContact CB-CG 4.06Å; A230-Y232 PolarHBondContact O-N 3.48Å; Y232-F234 PolarHBondContact O-N 3.21Å; Y232-F234 VanDerWaalsContact O-N 3.15Å; Y232-N235 HydrophobicContact CD2-CB 4.28Å; Y232-N235 HydrophobicContact CE2-CB 4.2Å; Y232-N235 WeakPolarHBondContact CE2-ND2 3.47Å; Y232-N235 WeakPolarHBondContact O-CB 3.35Å; Y232-N235 PolarHBondContact O-N 2.87Å; Y232-N235 VanDerWaalsContact O-N 3.12Å |
| 233 | A | 93.7 | Very high | 95 | Very high | 55 Ų | 55 | 20.1 Ų | 20.1 | 46% | 0.455 | 11% | 0.109 | S | C | . | . | G | 310 helix | trans | -62.2 | -21.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D231 K236 | D231-A233 PolarHBondContact O-N 3.38Å; D231-A233 VanDerWaalsContact O-N 3.12Å; D231-A233 VanDerWaalsContact OD1-CB 3.27Å; D231-A233 WeakPolarHBondContact OD1-CB 3.04Å; D231-A233 PolarHBondContact OD1-N 2.82Å; A233-K236 WeakPolarHBondContact O-CE 3.39Å; A233-K236 WeakPolarHBondContact O-CG 3.34Å |
| 234 | F | 95.2 | Very high | 95 | Very high | 7 Ų | 7 | 19.2 Ų | 19.2 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -83.5 | -11.3 | 178.7 | -74.8 | -93.7 | 0 | 0 | 0 | 114.1 | T228 D231 Y232 K236 Y237 I242 N279 L280 L283 | T228-F234 HydrophobicContact CG2-CD1 3.65Å; T228-F234 HydrophobicContact CG2-CD2 4.34Å; T228-F234 HydrophobicContact CG2-CE1 3.84Å; T228-F234 HydrophobicContact CG2-CE2 4.49Å; T228-F234 HydrophobicContact CG2-CG 3.92Å; T228-F234 HydrophobicContact CG2-CZ 4.24Å; D231-F234 HydrophobicContact CB-CD2 3.8Å; D231-F234 HydrophobicContact CB-CE2 4.26Å; D231-F234 PolarHBondContact O-N 3.43Å; D231-F234 VanDerWaalsContact O-N 3.08Å; Y232-F234 PolarHBondContact O-N 3.21Å; Y232-F234 VanDerWaalsContact O-N 3.15Å; F234-K236 PolarHBondContact O-N 3.44Å; F234-Y237 HydrophobicContact CB-CD2 4.44Å; F234-Y237 AromaticContact CD1-CD2 3.81Å; F234-Y237 HydrophobicContact CD1-CD2 3.81Å; F234-Y237 HydrophobicContact CD1-CE2 4.07Å; F234-Y237 HydrophobicContact CE1-CD2 4.47Å; F234-Y237 HydrophobicContact CE1-CE2 4.36Å; F234-Y237 HydrophobicContact CG-CD2 4.42Å; F234-Y237 PolarHBondContact O-N 3.13Å; F234-I242 HydrophobicContact CB-CD1 4.32Å; F234-N279 HydrophobicContact CE1-CB 4.25Å; F234-N279 HydrophobicContact CZ-CB 3.91Å; F234-L280 HydrophobicContact CD1-CD2 4.23Å; F234-L280 HydrophobicContact CE1-CD2 3.41Å; F234-L280 VanDerWaalsContact CE1-CD2 3.41Å; F234-L280 HydrophobicContact CE1-CG 3.79Å; F234-L280 HydrophobicContact CZ-CD2 3.88Å; F234-L280 HydrophobicContact CZ-CG 4.33Å; F234-L283 HydrophobicContact CD2-CD2 4.43Å; F234-L283 HydrophobicContact CE2-CB 4.3Å; F234-L283 HydrophobicContact CE2-CD1 4.47Å; F234-L283 HydrophobicContact CE2-CD2 3.72Å; F234-L283 HydrophobicContact CE2-CG 4.38Å; F234-L283 HydrophobicContact CZ-CB 4.2Å; F234-L283 HydrophobicContact CZ-CD2 3.88Å |
| 235 | N | 92.3 | Very high | 95 | Very high | 23 Ų | 23 | 19.2 Ų | 19.2 | 12% | 0.123 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -61.4 | -17.5 | 179 | -89.1 | 28.2 | 0 | 0 | 0 | 113.8 | H72 R88 D117 Y232 Y237 | H72-N235 PolarHBondContact CE1-O 3.19Å; H72-N235 PolarHBondContact NE2-O 3.22Å; R88-N235 PolarHBondContact NH2-OD1 3.27Å; D117-N235 PolarHBondContact OD2-ND2 3.07Å; Y232-N235 HydrophobicContact CD2-CB 4.28Å; Y232-N235 HydrophobicContact CE2-CB 4.2Å; Y232-N235 WeakPolarHBondContact CE2-ND2 3.47Å; Y232-N235 WeakPolarHBondContact O-CB 3.35Å; Y232-N235 PolarHBondContact O-N 2.87Å; Y232-N235 VanDerWaalsContact O-N 3.12Å; N235-Y237 VanDerWaalsContact C-N 3.32Å |
| 236 | K | 92.2 | Very high | 94.9 | Very high | 97 Ų | 97 | 19.2 Ų | 19.2 | 42% | 0.422 | 11% | 0.105 | S | C | . | . | G | 310 helix | trans | -75.7 | -17.1 | 175.6 | 67.4 | -177.9 | 166.2 | 168.9 | 0 | 113.9 | A233 F234 E275 | A233-K236 WeakPolarHBondContact O-CE 3.39Å; A233-K236 WeakPolarHBondContact O-CG 3.34Å; F234-K236 PolarHBondContact O-N 3.44Å; K236-E275 IonicContact NZ-OE1 2.84Å; K236-E275 PolarHBondContact NZ-OE1 3.36Å |
| 237 | Y | 93.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 2% | 0.02 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -97 | 138.1 | -177.9 | -57.6 | -64.7 | 0 | 0 | 0 | 110.6 | H72 F234 N235 L241 I242 L272 E275 C276 N279 | H72-Y237 PolarHBondContact CE1-O 2.79Å; F234-Y237 HydrophobicContact CB-CD2 4.44Å; F234-Y237 AromaticContact CD1-CD2 3.81Å; F234-Y237 HydrophobicContact CD1-CD2 3.81Å; F234-Y237 HydrophobicContact CD1-CE2 4.07Å; F234-Y237 HydrophobicContact CE1-CD2 4.47Å; F234-Y237 HydrophobicContact CE1-CE2 4.36Å; F234-Y237 HydrophobicContact CG-CD2 4.42Å; F234-Y237 PolarHBondContact O-N 3.13Å; N235-Y237 VanDerWaalsContact C-N 3.32Å; Y237-L241 HydrophobicContact CD1-CD2 3.81Å; Y237-L241 HydrophobicContact CG-CD2 4.44Å; Y237-I242 HydrophobicContact CG-CG1 4.48Å; Y237-L272 HydrophobicContact CD1-CD1 3.99Å; Y237-L272 HydrophobicContact CD1-CG 4.17Å; Y237-L272 HydrophobicContact CE1-CD1 3.68Å; Y237-L272 HydrophobicContact CE1-CG 4.14Å; Y237-E275 VanDerWaalsContact OH-CD 3.3Å; Y237-E275 WeakPolarHBondContact OH-CG 3.25Å; Y237-E275 PolarHBondContact OH-OE1 3.02Å; Y237-E275 VanDerWaalsContact OH-OE1 3.06Å; Y237-C276 HydrophobicContact CD1-CB 3.99Å; Y237-C276 HydrophobicContact CE1-CB 3.77Å; Y237-C276 HydrophobicContact CE2-CB 4.34Å; Y237-C276 HydrophobicContact CG-CB 4.35Å; Y237-N279 PolarHBondContact OH-ND2 3.13Å |
| 238 | P | 94.2 | Very high | 94.5 | Very high | 22 Ų | 22 | 20.1 Ų | 20.1 | 14% | 0.143 | 11% | 0.107 | C | C | . | . | trans | -67.2 | 148.8 | 173.6 | 28 | -33.2 | 0 | 0 | 0 | 110.9 | S240 L241 I242 H268 | P238-S240 VanDerWaalsContact C-N 3.3Å; P238-S240 PolarHBondContact O-N 3Å; P238-L241 HydrophobicContact CG-CB 3.77Å; P238-L241 WeakPolarHBondContact O-CB 3.47Å; P238-L241 PolarHBondContact O-N 3.43Å; P238-L241 VanDerWaalsContact O-N 3.07Å; P238-I242 PolarHBondContact O-N 2.69Å; P238-H268 VanDerWaalsContact CG-NE2 3.3Å; P238-H268 WeakPolarHBondContact CG-NE2 2.99Å | ||
| 239 | P | 95.6 | Very high | 94.2 | Very high | 25 Ų | 25 | 20.5 Ų | 20.5 | 16% | 0.162 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -53.4 | -41.7 | -177.9 | -28.9 | 35.1 | 0 | 0 | 0 | 114.6 | E68 L188 F191 L241 I242 A243 | E68-P239 WeakPolarHBondContact OE1-CD 3.47Å; L188-P239 HydrophobicContact CD2-CB 3.87Å; L188-P239 VanDerWaalsContact CD2-O 3.25Å; L188-P239 WeakPolarHBondContact CD2-O 3.23Å; L188-P239 HydrophobicContact CG-CB 4.3Å; F191-P239 HydrophobicContact CD2-CB 3.8Å; F191-P239 HydrophobicContact CE2-CB 3.98Å; P239-L241 VanDerWaalsContact C-N 3.33Å; P239-L241 PolarHBondContact O-N 3.23Å; P239-I242 PolarHBondContact O-N 3.07Å; P239-A243 WeakPolarHBondContact O-CB 3.27Å; P239-A243 PolarHBondContact O-N 3.18Å |
| 240 | S | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.6 | -38.3 | 177.6 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | R65 E68 F191 F195 P238 C244 | R65-S240 WeakPolarHBondContact CD-OG 3.49Å; R65-S240 PolarHBondContact NH1-OG 2.93Å; E68-S240 WeakPolarHBondContact OE1-CB 3.5Å; E68-S240 PolarHBondContact OE1-N 3.22Å; E68-S240 PolarHBondContact OE1-OG 2.89Å; E68-S240 PolarHBondContact OE2-OG 3.44Å; F191-S240 VanDerWaalsContact CD2-N 3.32Å; F195-S240 WeakPolarHBondContact CE2-O 3.17Å; P238-S240 VanDerWaalsContact C-N 3.3Å; P238-S240 PolarHBondContact O-N 3Å; S240-C244 VanDerWaalsContact O-CB 3.3Å; S240-C244 WeakPolarHBondContact O-CB 3.2Å; S240-C244 PolarHBondContact O-N 2.77Å |
| 241 | L | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.2 | -47.7 | 176.3 | 180 | 60 | 0 | 0 | 0 | 111.1 | Y237 P238 P239 C244 C245 H268 L272 V273 C276 | Y237-L241 HydrophobicContact CD1-CD2 3.81Å; Y237-L241 HydrophobicContact CG-CD2 4.44Å; P238-L241 HydrophobicContact CG-CB 3.77Å; P238-L241 WeakPolarHBondContact O-CB 3.47Å; P238-L241 PolarHBondContact O-N 3.43Å; P238-L241 VanDerWaalsContact O-N 3.07Å; P239-L241 VanDerWaalsContact C-N 3.33Å; P239-L241 PolarHBondContact O-N 3.23Å; L241-C244 PolarHBondContact O-N 2.89Å; L241-C245 WeakPolarHBondContact O-CB 3.44Å; L241-C245 PolarHBondContact O-N 3.48Å; L241-C245 PolarHBondContact O-SG 3.3Å; L241-H268 HydrophobicContact CD1-CB 4.33Å; L241-L272 HydrophobicContact CD2-CD2 3.83Å; L241-L272 HydrophobicContact CD2-CG 3.84Å; L241-V273 HydrophobicContact CD1-CB 4.3Å; L241-V273 HydrophobicContact CD1-CG2 3.69Å; L241-C276 HydrophobicContact CD2-CB 4.11Å; L241-C276 HydrophobicContact CG-CB 4.23Å |
| 242 | I | 96.4 | Very high | 92.9 | Very high | 10 Ų | 10 | 21.8 Ų | 21.8 | 5% | 0.051 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.2 | -49.6 | 178.5 | -62.1 | 173 | 0 | 0 | 0 | 109.7 | L188 T228 F234 Y237 P238 P239 C244 C245 A246 | L188-I242 HydrophobicContact CD2-CB 3.56Å; L188-I242 HydrophobicContact CD2-CD1 4.15Å; L188-I242 HydrophobicContact CD2-CG1 4.42Å; L188-I242 HydrophobicContact CD2-CG2 3.63Å; T228-I242 HydrophobicContact CG2-CG2 3.93Å; F234-I242 HydrophobicContact CB-CD1 4.32Å; Y237-I242 HydrophobicContact CG-CG1 4.48Å; P238-I242 PolarHBondContact O-N 2.69Å; P239-I242 PolarHBondContact O-N 3.07Å; I242-C244 PolarHBondContact O-N 2.56Å; I242-C245 PolarHBondContact O-N 3.24Å; I242-A246 WeakPolarHBondContact O-CB 3.45Å; I242-A246 PolarHBondContact O-N 3.19Å |
| 243 | A | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F191 L192 F195 P239 A246 L247 | F191-A243 HydrophobicContact CB-CB 3.62Å; L192-A243 HydrophobicContact CB-CB 4.24Å; F195-A243 HydrophobicContact CD2-CB 4.24Å; F195-A243 HydrophobicContact CE2-CB 4.34Å; P239-A243 WeakPolarHBondContact O-CB 3.27Å; P239-A243 PolarHBondContact O-N 3.18Å; A243-A246 PolarHBondContact O-N 3.25Å; A243-L247 WeakPolarHBondContact O-CB 3.16Å; A243-L247 PolarHBondContact O-N 3.37Å |
| 244 | C | 93.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.02 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -48.2 | 175.7 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | F195 S240 L241 I242 L247 R248 V266 | F195-C244 HydrophobicContact CD2-CB 4.14Å; F195-C244 HydrophobicContact CE2-CB 3.72Å; F195-C244 HydrophobicContact CZ-CB 4.01Å; S240-C244 VanDerWaalsContact O-CB 3.3Å; S240-C244 WeakPolarHBondContact O-CB 3.2Å; S240-C244 PolarHBondContact O-N 2.77Å; L241-C244 PolarHBondContact O-N 2.89Å; I242-C244 PolarHBondContact O-N 2.56Å; C244-L247 PolarHBondContact O-N 3.26Å; C244-R248 WeakPolarHBondContact O-CB 3.37Å; C244-R248 WeakPolarHBondContact O-CG 3.46Å; C244-R248 PolarHBondContact O-N 3.39Å; C244-V266 HydrophobicContact CB-CG2 4.22Å |
| 245 | C | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68 | -37 | -178.6 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | L241 I242 R248 L249 K277 L280 | L241-C245 WeakPolarHBondContact O-CB 3.44Å; L241-C245 PolarHBondContact O-N 3.48Å; L241-C245 PolarHBondContact O-SG 3.3Å; I242-C245 PolarHBondContact O-N 3.24Å; C245-R248 PolarHBondContact O-N 2.93Å; C245-L249 WeakPolarHBondContact O-CB 3.46Å; C245-L249 PolarHBondContact O-N 3.39Å; C245-K277 HydrophobicContact CB-CG 3.99Å; C245-L280 HydrophobicContact CB-CD1 3.43Å; C245-L280 VanDerWaalsContact CB-CD1 3.43Å |
| 246 | A | 95.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.1 | -43.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A221 V224 I242 A243 L249 A250 L280 | A221-A246 HydrophobicContact CB-CB 4.48Å; V224-A246 HydrophobicContact CB-CB 4.21Å; V224-A246 HydrophobicContact CG1-CB 3.9Å; I242-A246 WeakPolarHBondContact O-CB 3.45Å; I242-A246 PolarHBondContact O-N 3.19Å; A243-A246 PolarHBondContact O-N 3.25Å; A246-L249 PolarHBondContact O-N 2.75Å; A246-A250 WeakPolarHBondContact O-CB 3.39Å; A246-A250 PolarHBondContact O-N 3.01Å; A246-L280 HydrophobicContact CB-CD1 4.4Å |
| 247 | L | 92.8 | Very high | 87.5 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65 | -43.7 | 175.9 | -174.6 | 63.8 | 0 | 0 | 0 | 111.9 | L192 F195 V199 C217 A221 A243 C244 L249 A250 C251 | L192-L247 HydrophobicContact CD1-CB 4.11Å; L192-L247 HydrophobicContact CD1-CD1 4.29Å; F195-L247 HydrophobicContact CB-CD2 3.53Å; V199-L247 HydrophobicContact CG2-CD2 4.25Å; C217-L247 HydrophobicContact CB-CD1 4.49Å; A221-L247 HydrophobicContact CB-CB 4.28Å; A221-L247 HydrophobicContact CB-CD1 4.06Å; A243-L247 WeakPolarHBondContact O-CB 3.16Å; A243-L247 PolarHBondContact O-N 3.37Å; C244-L247 PolarHBondContact O-N 3.26Å; L247-L249 PolarHBondContact O-N 2.85Å; L247-A250 PolarHBondContact O-N 2.98Å; L247-C251 PolarHBondContact O-N 3.4Å |
| 248 | R | 89.5 | Confident | 85.6 | Confident | 37 Ų | 37 | 45.7 Ų | 45.7 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.4 | -47.3 | 174.2 | -77.1 | 173.6 | 172.2 | 171.9 | -1.8 | 111.6 | C244 C245 A250 C251 E252 A261 A264 | C244-R248 WeakPolarHBondContact O-CB 3.37Å; C244-R248 WeakPolarHBondContact O-CG 3.46Å; C244-R248 PolarHBondContact O-N 3.39Å; C245-R248 PolarHBondContact O-N 2.93Å; R248-A250 VanDerWaalsContact C-N 3.33Å; R248-A250 PolarHBondContact O-N 2.93Å; R248-C251 WeakPolarHBondContact O-CB 3.33Å; R248-C251 PolarHBondContact O-N 3.16Å; R248-E252 WeakPolarHBondContact O-CG 3.48Å; R248-E252 PolarHBondContact O-N 3.23Å; R248-A261 HydrophobicContact CG-CB 3.64Å; R248-A261 VanDerWaalsContact CZ-O 3.23Å; R248-A261 PolarHBondContact NE-O 3.32Å; R248-A261 PolarHBondContact NH2-O 3.4Å; R248-A264 PolarHBondContact NH2-O 3.31Å |
| 249 | L | 90.4 | Very high | 83.6 | Confident | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.063 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 176.9 | -179.6 | 59.6 | 0 | 0 | 0 | 111.6 | C245 A246 L247 E252 L253 L280 K281 V284 | C245-L249 WeakPolarHBondContact O-CB 3.46Å; C245-L249 PolarHBondContact O-N 3.39Å; A246-L249 PolarHBondContact O-N 2.75Å; L247-L249 PolarHBondContact O-N 2.85Å; L249-E252 PolarHBondContact O-N 3.41Å; L249-L253 HydrophobicContact CD1-CD1 4.22Å; L249-L253 HydrophobicContact CD1-CG 4.21Å; L249-L253 HydrophobicContact CG-CD1 4.05Å; L249-L253 HydrophobicContact CG-CG 4.47Å; L249-L253 WeakPolarHBondContact O-CB 3.44Å; L249-L253 VanDerWaalsContact O-CG 3.24Å; L249-L253 WeakPolarHBondContact O-CG 3.35Å; L249-L253 PolarHBondContact O-N 2.96Å; L249-L280 HydrophobicContact CD2-CB 3.82Å; L249-K281 HydrophobicContact CD1-CG 3.68Å; L249-K281 HydrophobicContact CD2-CG 4.37Å; L249-V284 HydrophobicContact CD2-CG2 3.82Å |
| 250 | A | 89.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | C217 L220 A221 A246 L247 R248 L253 L254 | C217-A250 HydrophobicContact CB-CB 4.39Å; C217-A250 VanDerWaalsContact O-CB 3.23Å; C217-A250 WeakPolarHBondContact O-CB 3.34Å; L220-A250 HydrophobicContact CB-CB 4.02Å; L220-A250 HydrophobicContact CD2-CB 3.98Å; L220-A250 HydrophobicContact CG-CB 3.94Å; A221-A250 HydrophobicContact CB-CB 3.9Å; A246-A250 WeakPolarHBondContact O-CB 3.39Å; A246-A250 PolarHBondContact O-N 3.01Å; L247-A250 PolarHBondContact O-N 2.98Å; R248-A250 VanDerWaalsContact C-N 3.33Å; R248-A250 PolarHBondContact O-N 2.93Å; A250-L253 PolarHBondContact O-N 3.29Å; A250-L254 PolarHBondContact O-N 3.4Å; A250-L254 VanDerWaalsContact O-N 3.08Å |
| 251 | C | 85.3 | Confident | 79.3 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.2 | -48.9 | 170.7 | -75 | 0 | 0 | 0 | 0 | 111.3 | L247 R248 L253 L254 R255 P256 C259 | L247-C251 PolarHBondContact O-N 3.4Å; R248-C251 WeakPolarHBondContact O-CB 3.33Å; R248-C251 PolarHBondContact O-N 3.16Å; C251-L253 VanDerWaalsContact C-N 3.29Å; C251-L253 PolarHBondContact O-N 2.88Å; C251-L254 PolarHBondContact O-N 3.43Å; C251-R255 PolarHBondContact O-N 3.24Å; C251-P256 HydrophobicContact CB-CG 4.32Å; C251-P256 WeakPolarHBondContact O-CD 3.32Å; C251-C259 HydrophobicContact CB-CB 3.58Å; C251-C259 WeakPolarHBondContact CB-SG 3.32Å; C251-C259 WeakPolarHBondContact SG-CB 3.43Å; C251-C259 CovalentContact SG-SG 2.06Å; C251-C259 PolarHBondContact SG-SG 3.48Å |
| 252 | E | 85.5 | Confident | 77.1 | Confident | 96 Ų | 96 | 57.2 Ų | 57.2 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.1 | -41.4 | 179.9 | -75.5 | 175 | -157.3 | 0 | 0 | 112 | R248 L249 R255 K281 | R248-E252 WeakPolarHBondContact O-CG 3.48Å; R248-E252 PolarHBondContact O-N 3.23Å; L249-E252 PolarHBondContact O-N 3.41Å; E252-R255 WeakPolarHBondContact O-CG 3.28Å; E252-K281 IonicContact OE2-NZ 2.61Å |
| 253 | L | 84.5 | Confident | 74.9 | Confident | 91 Ų | 91 | 64.2 Ų | 64.2 | 48% | 0.476 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71.1 | -35.1 | -179.1 | -70 | 172.6 | 0 | 0 | 0 | 113.1 | L220 L249 A250 C251 V284 | L220-L253 HydrophobicContact CD2-CB 4.25Å; L220-L253 HydrophobicContact CD2-CD1 4.19Å; L249-L253 HydrophobicContact CD1-CD1 4.22Å; L249-L253 HydrophobicContact CD1-CG 4.21Å; L249-L253 HydrophobicContact CG-CD1 4.05Å; L249-L253 HydrophobicContact CG-CG 4.47Å; L249-L253 WeakPolarHBondContact O-CB 3.44Å; L249-L253 VanDerWaalsContact O-CG 3.24Å; L249-L253 WeakPolarHBondContact O-CG 3.35Å; L249-L253 PolarHBondContact O-N 2.96Å; A250-L253 PolarHBondContact O-N 3.29Å; C251-L253 VanDerWaalsContact C-N 3.29Å; C251-L253 PolarHBondContact O-N 2.88Å; L253-V284 HydrophobicContact CD1-CG1 4.3Å |
| 254 | L | 80.6 | Confident | 72.8 | Confident | 77 Ų | 77 | 65.6 Ų | 65.6 | 40% | 0.403 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -93.2 | -11.8 | -178.3 | -66.4 | 176 | 0 | 0 | 0 | 113.7 | K216 C217 L220 A250 C251 | K216-L254 HydrophobicContact CB-CD1 4.03Å; C217-L254 HydrophobicContact CB-CD1 4.36Å; L220-L254 HydrophobicContact CB-CD1 4.48Å; L220-L254 HydrophobicContact CD2-CD1 4.08Å; L220-L254 HydrophobicContact CD2-CG 4.04Å; A250-L254 PolarHBondContact O-N 3.4Å; A250-L254 VanDerWaalsContact O-N 3.08Å; C251-L254 PolarHBondContact O-N 3.43Å |
| 255 | R | 72.5 | Confident | 70.7 | Confident | 211 Ų | 211 | 72.7 Ų | 72.7 | 80% | 0.796 | 35% | 0.347 | S | S | * | . | trans | 45.3 | 59.3 | 179.7 | -61.6 | -171.3 | 175.5 | 113.6 | -2.2 | 113.8 | C251 E252 | C251-R255 PolarHBondContact O-N 3.24Å; E252-R255 WeakPolarHBondContact O-CG 3.28Å | ||
| 256 | P | 62.9 | Low | 68.9 | Low | 16 Ų | 16 | 73.6 Ų | 73.6 | 10% | 0.104 | 35% | 0.353 | C | S | . | . | trans | -61.8 | 148.3 | 166.4 | 28.8 | -29.6 | 0 | 0 | 0 | 109.1 | C251 R258 C259 | C251-P256 HydrophobicContact CB-CG 4.32Å; C251-P256 WeakPolarHBondContact O-CD 3.32Å; P256-R258 PolarHBondContact O-N 2.95Å; P256-C259 HydrophobicContact CG-CB 4.04Å; P256-C259 WeakPolarHBondContact CG-SG 2.96Å | ||
| 257 | E | 53.6 | Low | 67.5 | Low | 157 Ų | 157 | 80.6 Ų | 80.6 | 73% | 0.734 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -62.2 | -21.8 | -167.5 | -69.5 | -177.4 | -175.5 | 0 | 0 | 112.7 | ||
| 258 | R | 54.5 | Low | 66.4 | Low | 189 Ų | 189 | 81.6 Ų | 81.6 | 71% | 0.713 | 40% | 0.395 | S | S | * | . | trans | -154.3 | 113.3 | 163.6 | -61.9 | -174.4 | 178.1 | 170.7 | -3.8 | 110.8 | Q203 P256 | Q203-R258 PolarHBondContact NE2-O 3.4Å; Q203-R258 VanDerWaalsContact NE2-O 3.16Å; P256-R258 PolarHBondContact O-N 2.95Å | ||
| 259 | C | 50.5 | Low | 65.9 | Low | 31 Ų | 31 | 84.8 Ų | 84.8 | 21% | 0.209 | 42% | 0.415 | C | S | . | . | trans | -97 | 115 | 163.2 | -106.9 | 0 | 0 | 0 | 0 | 109.1 | C251 P256 A261 | C251-C259 HydrophobicContact CB-CB 3.58Å; C251-C259 WeakPolarHBondContact CB-SG 3.32Å; C251-C259 WeakPolarHBondContact SG-CB 3.43Å; C251-C259 CovalentContact SG-SG 2.06Å; C251-C259 PolarHBondContact SG-SG 3.48Å; P256-C259 HydrophobicContact CG-CB 4.04Å; P256-C259 WeakPolarHBondContact CG-SG 2.96Å; C259-A261 PolarHBondContact O-N 3.1Å | ||
| 260 | V | 51.2 | Low | 65.5 | Low | 66 Ų | 66 | 89.4 Ų | 89.4 | 40% | 0.4 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -76.7 | 25.6 | 177.8 | -166.6 | 0 | 0 | 0 | 0 | 111.7 | E262 Q263 | V260-E262 PolarHBondContact O-N 2.96Å; V260-E262 VanDerWaalsContact O-N 3.1Å; V260-Q263 PolarHBondContact O-N 2.06Å |
| 261 | A | 51 | Low | 65.4 | Low | 14 Ų | 14 | 92.9 Ų | 92.9 | 12% | 0.116 | 47% | 0.471 | C | S | . | . | G | 310 helix | trans | -70.2 | -5.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R248 C259 Q263 | R248-A261 HydrophobicContact CG-CB 3.64Å; R248-A261 VanDerWaalsContact CZ-O 3.23Å; R248-A261 PolarHBondContact NE-O 3.32Å; R248-A261 PolarHBondContact NH2-O 3.4Å; C259-A261 PolarHBondContact O-N 3.1Å; A261-Q263 VanDerWaalsContact C-N 3.27Å; A261-Q263 PolarHBondContact O-N 3.33Å |
| 262 | E | 48.7 | Very low | 65.5 | Low | 179 Ų | 179 | 95 Ų | 95 | 84% | 0.836 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -66.7 | -22.6 | 176.9 | -70.2 | -177 | 160.6 | 0 | 0 | 113.4 | V260 | V260-E262 PolarHBondContact O-N 2.96Å; V260-E262 VanDerWaalsContact O-N 3.1Å |
| 263 | Q | 48.6 | Very low | 65.8 | Low | 157 Ų | 157 | 91.2 Ų | 91.2 | 73% | 0.734 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -114.2 | 5.2 | -171.7 | -70.6 | -178.4 | -24.2 | 0 | 0 | 115.6 | V260 A261 D265 | V260-Q263 PolarHBondContact O-N 2.06Å; A261-Q263 VanDerWaalsContact C-N 3.27Å; A261-Q263 PolarHBondContact O-N 3.33Å; Q263-D265 VanDerWaalsContact C-N 3.28Å; Q263-D265 PolarHBondContact O-N 2.87Å |
| 264 | A | 52.7 | Low | 66.1 | Low | 28 Ų | 28 | 91.1 Ų | 91.1 | 23% | 0.231 | 46% | 0.462 | C | S | . | . | trans | -64.8 | 100.1 | 163 | 0 | 0 | 0 | 0 | 0 | 106.6 | F195 R248 V266 | F195-A264 HydrophobicContact CD1-CB 4.23Å; F195-A264 HydrophobicContact CE1-CB 4.14Å; R248-A264 PolarHBondContact NH2-O 3.31Å; A264-V266 HydrophobicContact CB-CG2 4.19Å; A264-V266 WeakPolarHBondContact O-CG2 3.35Å; A264-V266 PolarHBondContact O-N 3.43Å | ||
| 265 | D | 49.5 | Very low | 66.7 | Low | 152 Ų | 152 | 91.2 Ų | 91.2 | 81% | 0.813 | 46% | 0.46 | S | S | * | . | trans | -67.7 | 75.4 | -178.7 | -163.3 | 18.8 | 0 | 0 | 0 | 108.6 | Q263 D267 | Q263-D265 VanDerWaalsContact C-N 3.28Å; Q263-D265 PolarHBondContact O-N 2.87Å; D265-D267 PolarHBondContact O-N 2.89Å | ||
| 266 | V | 58.1 | Low | 67.8 | Low | 20 Ų | 20 | 81.1 Ų | 81.1 | 12% | 0.121 | 42% | 0.423 | C | S | . | . | trans | -86.5 | 92.6 | 178.5 | 173.8 | 0 | 0 | 0 | 0 | 103.8 | F195 C244 A264 H268 | F195-V266 HydrophobicContact CE1-CG2 4.11Å; F195-V266 HydrophobicContact CZ-CG2 4Å; C244-V266 HydrophobicContact CB-CG2 4.22Å; A264-V266 HydrophobicContact CB-CG2 4.19Å; A264-V266 WeakPolarHBondContact O-CG2 3.35Å; A264-V266 PolarHBondContact O-N 3.43Å; V266-H268 HydrophobicContact CG1-CB 4.29Å; V266-H268 VanDerWaalsContact CG1-CE1 3.41Å; V266-H268 WeakPolarHBondContact CG1-CE1 3.43Å; V266-H268 WeakPolarHBondContact CG1-ND1 3.42Å; V266-H268 PolarHBondContact O-N 3.37Å | ||
| 267 | D | 64.6 | Low | 69.2 | Low | 146 Ų | 146 | 82.4 Ų | 82.4 | 78% | 0.781 | 43% | 0.427 | S | S | * | . | trans | -63.3 | 56.7 | 177.8 | -170.7 | 27.6 | 0 | 0 | 0 | 111.7 | D265 | D265-D267 PolarHBondContact O-N 2.89Š| ||
| 268 | H | 70.1 | Confident | 71.2 | Confident | 28 Ų | 28 | 78.5 Ų | 78.5 | 13% | 0.13 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -109.9 | 151.5 | 171.7 | -70.1 | 74.9 | 0 | 0 | 0 | 108.3 | R65 P238 L241 V266 C270 V273 | R65-H268 PolarHBondContact NH1-CE1 3.49Å; R65-H268 PolarHBondContact NH1-NE2 2.72Å; R65-H268 PolarHBondContact NH2-CE1 2.87Å; R65-H268 PolarHBondContact NH2-ND1 2.95Å; P238-H268 VanDerWaalsContact CG-NE2 3.3Å; P238-H268 WeakPolarHBondContact CG-NE2 2.99Å; L241-H268 HydrophobicContact CD1-CB 4.33Å; V266-H268 HydrophobicContact CG1-CB 4.29Å; V266-H268 VanDerWaalsContact CG1-CE1 3.41Å; V266-H268 WeakPolarHBondContact CG1-CE1 3.43Å; V266-H268 WeakPolarHBondContact CG1-ND1 3.42Å; V266-H268 PolarHBondContact O-N 3.37Å; H268-C270 PolarHBondContact O-N 3.01Å; H268-C270 VanDerWaalsContact O-N 3.17Å; H268-V273 HydrophobicContact CB-CG2 3.73Å |
| 269 | D | 79.1 | Confident | 73.2 | Confident | 104 Ų | 104 | 71.9 Ų | 71.9 | 56% | 0.556 | 39% | 0.389 | S | S | * | . | trans | -50.9 | 123 | 170.9 | -175.2 | -15.5 | 0 | 0 | 0 | 110.3 | S271 L272 V273 | D269-S271 PolarHBondContact O-N 3.21Å; D269-S271 VanDerWaalsContact O-N 3.12Å; D269-S271 WeakPolarHBondContact OD1-CB 3.08Å; D269-S271 PolarHBondContact OD1-N 3.47Å; D269-S271 PolarHBondContact OD1-OG 2.94Å; D269-S271 PolarHBondContact OD2-OG 3.04Å; D269-L272 HydrophobicContact CB-CB 4.17Å; D269-L272 PolarHBondContact O-N 3.21Å; D269-V273 WeakPolarHBondContact O-CG2 3.18Å; D269-V273 PolarHBondContact O-N 3.33Å | ||
| 270 | C | 81.3 | Confident | 75.3 | Confident | 109 Ų | 109 | 70.4 Ų | 70.4 | 74% | 0.736 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -54.7 | -31.4 | 179.9 | -73.4 | 0 | 0 | 0 | 0 | 112.1 | H268 Q274 | H268-C270 PolarHBondContact O-N 3.01Å; H268-C270 VanDerWaalsContact O-N 3.17Å; C270-Q274 WeakPolarHBondContact O-CB 3.43Å; C270-Q274 PolarHBondContact O-N 2.88Å; C270-Q274 VanDerWaalsContact O-N 3.1Å |
| 271 | S | 87.5 | Confident | 77.3 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 51% | 0.51 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 175.7 | 70.4 | 0 | 0 | 0 | 0 | 111.9 | D269 V273 Q274 E275 | D269-S271 PolarHBondContact O-N 3.21Å; D269-S271 VanDerWaalsContact O-N 3.12Å; D269-S271 WeakPolarHBondContact OD1-CB 3.08Å; D269-S271 PolarHBondContact OD1-N 3.47Å; D269-S271 PolarHBondContact OD1-OG 2.94Å; D269-S271 PolarHBondContact OD2-OG 3.04Å; S271-V273 PolarHBondContact O-N 2.78Å; S271-Q274 PolarHBondContact O-N 3.23Å; S271-E275 WeakPolarHBondContact O-CB 3.37Å; S271-E275 PolarHBondContact O-N 3.4Å |
| 272 | L | 89.3 | Confident | 79.3 | Confident | 51 Ų | 51 | 76.2 Ų | 76.2 | 27% | 0.267 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | 179 | -168.9 | 71.7 | 0 | 0 | 0 | 111.8 | Y237 L241 D269 E275 C276 | Y237-L272 HydrophobicContact CD1-CD1 3.99Å; Y237-L272 HydrophobicContact CD1-CG 4.17Å; Y237-L272 HydrophobicContact CE1-CD1 3.68Å; Y237-L272 HydrophobicContact CE1-CG 4.14Å; L241-L272 HydrophobicContact CD2-CD2 3.83Å; L241-L272 HydrophobicContact CD2-CG 3.84Å; D269-L272 HydrophobicContact CB-CB 4.17Å; D269-L272 PolarHBondContact O-N 3.21Å; L272-E275 PolarHBondContact O-N 3.49Å; L272-C276 VanDerWaalsContact O-CB 3.31Å; L272-C276 WeakPolarHBondContact O-CB 3.24Å; L272-C276 PolarHBondContact O-N 3.4Å |
| 273 | V | 90.2 | Very high | 81.4 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 10% | 0.097 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 173.4 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | L241 H268 D269 S271 C276 K277 | L241-V273 HydrophobicContact CD1-CB 4.3Å; L241-V273 HydrophobicContact CD1-CG2 3.69Å; H268-V273 HydrophobicContact CB-CG2 3.73Å; D269-V273 WeakPolarHBondContact O-CG2 3.18Å; D269-V273 PolarHBondContact O-N 3.33Å; S271-V273 PolarHBondContact O-N 2.78Å; V273-C276 PolarHBondContact O-N 2.85Å; V273-K277 HydrophobicContact CG1-CD 4.3Å; V273-K277 WeakPolarHBondContact O-CG 3.21Å; V273-K277 PolarHBondContact O-N 3.48Å |
| 274 | Q | 90.7 | Very high | 83.5 | Confident | 89 Ų | 89 | 61.7 Ų | 61.7 | 42% | 0.416 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 179.9 | -172 | 54.5 | 45.4 | 0 | 0 | 111.4 | C270 S271 C276 K277 D278 | C270-Q274 WeakPolarHBondContact O-CB 3.43Å; C270-Q274 PolarHBondContact O-N 2.88Å; C270-Q274 VanDerWaalsContact O-N 3.1Å; S271-Q274 PolarHBondContact O-N 3.23Å; Q274-C276 PolarHBondContact O-N 3.32Å; Q274-K277 WeakPolarHBondContact O-CB 3.37Å; Q274-K277 PolarHBondContact O-N 3.06Å; Q274-D278 VanDerWaalsContact NE2-CG 3.32Å; Q274-D278 PolarHBondContact NE2-OD1 2.91Å; Q274-D278 PolarHBondContact NE2-OD2 3.25Å; Q274-D278 PolarHBondContact O-N 3.34Å |
| 275 | E | 94.9 | Very high | 85.2 | Confident | 79 Ų | 79 | 63.3 Ų | 63.3 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 176.1 | -166 | -161.2 | 153 | 0 | 0 | 112.1 | K236 Y237 S271 L272 D278 N279 | K236-E275 IonicContact NZ-OE1 2.84Å; K236-E275 PolarHBondContact NZ-OE1 3.36Å; Y237-E275 VanDerWaalsContact OH-CD 3.3Å; Y237-E275 WeakPolarHBondContact OH-CG 3.25Å; Y237-E275 PolarHBondContact OH-OE1 3.02Å; Y237-E275 VanDerWaalsContact OH-OE1 3.06Å; S271-E275 WeakPolarHBondContact O-CB 3.37Å; S271-E275 PolarHBondContact O-N 3.4Å; L272-E275 PolarHBondContact O-N 3.49Å; E275-D278 PolarHBondContact O-N 2.82Å; E275-N279 WeakPolarHBondContact O-CB 3.46Å; E275-N279 PolarHBondContact O-N 2.93Å; E275-N279 PolarHBondContact O-ND2 3.37Å |
| 276 | C | 95.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 177 | -172.9 | 0 | 0 | 0 | 0 | 111.3 | Y237 L241 L272 V273 Q274 D278 N279 L280 | Y237-C276 HydrophobicContact CD1-CB 3.99Å; Y237-C276 HydrophobicContact CE1-CB 3.77Å; Y237-C276 HydrophobicContact CE2-CB 4.34Å; Y237-C276 HydrophobicContact CG-CB 4.35Å; L241-C276 HydrophobicContact CD2-CB 4.11Å; L241-C276 HydrophobicContact CG-CB 4.23Å; L272-C276 VanDerWaalsContact O-CB 3.31Å; L272-C276 WeakPolarHBondContact O-CB 3.24Å; L272-C276 PolarHBondContact O-N 3.4Å; V273-C276 PolarHBondContact O-N 2.85Å; Q274-C276 PolarHBondContact O-N 3.32Å; C276-D278 PolarHBondContact O-N 3.16Å; C276-N279 PolarHBondContact O-N 3.43Å; C276-L280 VanDerWaalsContact O-CG 3.31Å; C276-L280 WeakPolarHBondContact O-CG 3.35Å; C276-L280 PolarHBondContact O-N 3.27Å |
| 277 | K | 92.6 | Very high | 88.5 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 176.5 | -74.8 | 176.2 | 179.3 | -177.1 | 0 | 112.3 | C245 V273 Q274 L280 K281 | C245-K277 HydrophobicContact CB-CG 3.99Å; V273-K277 HydrophobicContact CG1-CD 4.3Å; V273-K277 WeakPolarHBondContact O-CG 3.21Å; V273-K277 PolarHBondContact O-N 3.48Å; Q274-K277 WeakPolarHBondContact O-CB 3.37Å; Q274-K277 PolarHBondContact O-N 3.06Å; K277-L280 PolarHBondContact O-N 3.46Å; K277-K281 WeakPolarHBondContact O-CG 3.48Å; K277-K281 PolarHBondContact O-N 3.47Å |
| 278 | D | 94 | Very high | 89.1 | Confident | 74 Ų | 74 | 61.3 Ų | 61.3 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.8 | -40.3 | -178.4 | -67.2 | -28 | 0 | 0 | 0 | 111.4 | Q274 E275 C276 K281 M282 | Q274-D278 VanDerWaalsContact NE2-CG 3.32Å; Q274-D278 PolarHBondContact NE2-OD1 2.91Å; Q274-D278 PolarHBondContact NE2-OD2 3.25Å; Q274-D278 PolarHBondContact O-N 3.34Å; E275-D278 PolarHBondContact O-N 2.82Å; C276-D278 PolarHBondContact O-N 3.16Å; D278-K281 PolarHBondContact O-N 3.28Å; D278-M282 PolarHBondContact O-N 3.15Å |
| 279 | N | 96.3 | Very high | 89.3 | Confident | 51 Ų | 51 | 65 Ų | 65 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 173.3 | -72.7 | -27.3 | 0 | 0 | 0 | 112.2 | F234 Y237 E275 C276 M282 L283 | F234-N279 HydrophobicContact CE1-CB 4.25Å; F234-N279 HydrophobicContact CZ-CB 3.91Å; Y237-N279 PolarHBondContact OH-ND2 3.13Å; E275-N279 WeakPolarHBondContact O-CB 3.46Å; E275-N279 PolarHBondContact O-N 2.93Å; E275-N279 PolarHBondContact O-ND2 3.37Å; C276-N279 PolarHBondContact O-N 3.43Å; N279-M282 PolarHBondContact O-N 3.34Å; N279-L283 WeakPolarHBondContact O-CB 3.5Å; N279-L283 PolarHBondContact O-N 3.12Å |
| 280 | L | 95.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 173.7 | -73.3 | 174.9 | 0 | 0 | 0 | 112.2 | V224 T228 F234 C245 A246 L249 C276 K277 M282 L283 V284 | V224-L280 HydrophobicContact CG1-CD2 3.72Å; T228-L280 HydrophobicContact CG2-CD2 3.38Å; F234-L280 HydrophobicContact CD1-CD2 4.23Å; F234-L280 HydrophobicContact CE1-CD2 3.41Å; F234-L280 VanDerWaalsContact CE1-CD2 3.41Å; F234-L280 HydrophobicContact CE1-CG 3.79Å; F234-L280 HydrophobicContact CZ-CD2 3.88Å; F234-L280 HydrophobicContact CZ-CG 4.33Å; C245-L280 HydrophobicContact CB-CD1 3.43Å; C245-L280 VanDerWaalsContact CB-CD1 3.43Å; A246-L280 HydrophobicContact CB-CD1 4.4Å; L249-L280 HydrophobicContact CD2-CB 3.82Å; C276-L280 VanDerWaalsContact O-CG 3.31Å; C276-L280 WeakPolarHBondContact O-CG 3.35Å; C276-L280 PolarHBondContact O-N 3.27Å; K277-L280 PolarHBondContact O-N 3.46Å; L280-M282 VanDerWaalsContact C-N 3.31Å; L280-M282 PolarHBondContact O-N 2.89Å; L280-L283 PolarHBondContact O-N 3.05Å; L280-V284 WeakPolarHBondContact O-CG2 3.42Å; L280-V284 PolarHBondContact O-N 3.39Å |
| 281 | K | 92.9 | Very high | 88.2 | Confident | 88 Ų | 88 | 58.9 Ų | 58.9 | 38% | 0.383 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 175.5 | -76.3 | 174.2 | 179.2 | 179.4 | 0 | 111.1 | L249 E252 K277 D278 V284 S285 | L249-K281 HydrophobicContact CD1-CG 3.68Å; L249-K281 HydrophobicContact CD2-CG 4.37Å; E252-K281 IonicContact OE2-NZ 2.61Å; K277-K281 WeakPolarHBondContact O-CG 3.48Å; K277-K281 PolarHBondContact O-N 3.47Å; D278-K281 PolarHBondContact O-N 3.28Å; K281-V284 PolarHBondContact O-N 3.04Å; K281-S285 WeakPolarHBondContact O-CB 3.41Å; K281-S285 PolarHBondContact O-N 3.2Å |
| 282 | M | 93.9 | Very high | 87.2 | Confident | 114 Ų | 114 | 60.7 Ų | 60.7 | 56% | 0.562 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.7 | -49.4 | 174.5 | -170.9 | -179.8 | -65.4 | 0 | 0 | 111.2 | D278 N279 L280 V284 S285 L286 | D278-M282 PolarHBondContact O-N 3.15Å; N279-M282 PolarHBondContact O-N 3.34Å; L280-M282 VanDerWaalsContact C-N 3.31Å; L280-M282 PolarHBondContact O-N 2.89Å; M282-V284 VanDerWaalsContact C-N 3.32Å; M282-V284 PolarHBondContact O-N 2.68Å; M282-S285 WeakPolarHBondContact O-CB 3.32Å; M282-S285 PolarHBondContact O-N 3.02Å; M282-S285 PolarHBondContact O-OG 3.33Å; M282-L286 HydrophobicContact CG-CD1 4.2Å; M282-L286 WeakPolarHBondContact O-CG 3.34Å; M282-L286 PolarHBondContact O-N 2.96Å |
| 283 | L | 93.5 | Very high | 85.6 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.5 | -45 | 179.1 | -176.1 | 67.4 | 0 | 0 | 0 | 112.1 | L227 T228 D231 F234 N279 L280 L286 N287 | L227-L283 HydrophobicContact CB-CD2 3.69Å; L227-L283 HydrophobicContact CB-CG 4.14Å; T228-L283 HydrophobicContact CG2-CD2 3.79Å; D231-L283 HydrophobicContact CB-CD1 4.33Å; F234-L283 HydrophobicContact CD2-CD2 4.43Å; F234-L283 HydrophobicContact CE2-CB 4.3Å; F234-L283 HydrophobicContact CE2-CD1 4.47Å; F234-L283 HydrophobicContact CE2-CD2 3.72Å; F234-L283 HydrophobicContact CE2-CG 4.38Å; F234-L283 HydrophobicContact CZ-CB 4.2Å; F234-L283 HydrophobicContact CZ-CD2 3.88Å; N279-L283 WeakPolarHBondContact O-CB 3.5Å; N279-L283 PolarHBondContact O-N 3.12Å; L280-L283 PolarHBondContact O-N 3.05Å; L283-L286 PolarHBondContact O-N 3.28Å; L283-N287 WeakPolarHBondContact O-CB 3.4Å; L283-N287 PolarHBondContact O-N 2.73Å; L283-N287 PolarHBondContact O-ND2 2.81Å |
| 284 | V | 91.1 | Very high | 83.7 | Confident | 19 Ų | 19 | 64 Ų | 64 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.3 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | V224 L249 L253 L280 K281 M282 L286 N287 Q288 L291 | V224-V284 HydrophobicContact CG1-CG2 4.27Å; V224-V284 HydrophobicContact CG2-CG2 3.73Å; L249-V284 HydrophobicContact CD2-CG2 3.82Å; L253-V284 HydrophobicContact CD1-CG1 4.3Å; L280-V284 WeakPolarHBondContact O-CG2 3.42Å; L280-V284 PolarHBondContact O-N 3.39Å; K281-V284 PolarHBondContact O-N 3.04Å; M282-V284 VanDerWaalsContact C-N 3.32Å; M282-V284 PolarHBondContact O-N 2.68Å; V284-L286 VanDerWaalsContact C-N 3.29Å; V284-L286 PolarHBondContact O-N 2.99Å; V284-N287 CarbonylContact O-C 3.57Å; V284-N287 PolarHBondContact O-N 2.62Å; V284-N287 VanDerWaalsContact O-N 3.16Å; V284-Q288 WeakPolarHBondContact O-CG 2.85Å; V284-Q288 PolarHBondContact O-N 2.83Å; V284-L291 HydrophobicContact CG1-CD1 3.96Å; V284-L291 HydrophobicContact CG2-CD1 4.45Å |
| 285 | S | 89.6 | Confident | 81.8 | Confident | 62 Ų | 62 | 67.4 Ų | 67.4 | 43% | 0.434 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.3 | -36.4 | 178.8 | 77.2 | 0 | 0 | 0 | 0 | 112.8 | K281 M282 N287 | K281-S285 WeakPolarHBondContact O-CB 3.41Å; K281-S285 PolarHBondContact O-N 3.2Å; M282-S285 WeakPolarHBondContact O-CB 3.32Å; M282-S285 PolarHBondContact O-N 3.02Å; M282-S285 PolarHBondContact O-OG 3.33Å; S285-N287 VanDerWaalsContact C-N 3.32Å |
| 286 | L | 88.5 | Confident | 79.4 | Confident | 131 Ų | 131 | 70.8 Ų | 70.8 | 69% | 0.686 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -75.3 | -20.8 | 177.9 | -65.7 | 173 | 0 | 0 | 0 | 112.9 | M282 L283 V284 | M282-L286 HydrophobicContact CG-CD1 4.2Å; M282-L286 WeakPolarHBondContact O-CG 3.34Å; M282-L286 PolarHBondContact O-N 2.96Å; L283-L286 PolarHBondContact O-N 3.28Å; V284-L286 VanDerWaalsContact C-N 3.29Å; V284-L286 PolarHBondContact O-N 2.99Å |
| 287 | N | 87.8 | Confident | 76.7 | Confident | 38 Ų | 38 | 74.2 Ų | 74.2 | 20% | 0.203 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 20.2 | -172.9 | -73.8 | -81.3 | 0 | 0 | 0 | 113.7 | L227 L283 V284 S285 E289 T290 L291 | L227-N287 HydrophobicContact CD1-CB 3.75Å; L227-N287 HydrophobicContact CD2-CB 4.34Å; L283-N287 WeakPolarHBondContact O-CB 3.4Å; L283-N287 PolarHBondContact O-N 2.73Å; L283-N287 PolarHBondContact O-ND2 2.81Å; V284-N287 CarbonylContact O-C 3.57Å; V284-N287 PolarHBondContact O-N 2.62Å; V284-N287 VanDerWaalsContact O-N 3.16Å; S285-N287 VanDerWaalsContact C-N 3.32Å; N287-E289 VanDerWaalsContact C-N 3.3Å; N287-E289 PolarHBondContact O-N 3.23Å; N287-T290 WeakPolarHBondContact O-CB 3.44Å; N287-T290 PolarHBondContact O-N 3.43Å; N287-T290 VanDerWaalsContact O-N 3.12Å; N287-L291 WeakPolarHBondContact O-CG 3.5Å; N287-L291 PolarHBondContact O-N 3.41Å |
| 288 | Q | 77.6 | Confident | 74.5 | Confident | 106 Ų | 106 | 76.4 Ų | 76.4 | 50% | 0.495 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -55.9 | -43.4 | -177.3 | -70.7 | -176.4 | 10.7 | 0 | 0 | 112.7 | V284 L291 K292 | V284-Q288 WeakPolarHBondContact O-CG 2.85Å; V284-Q288 PolarHBondContact O-N 2.83Å; Q288-L291 PolarHBondContact O-N 3.33Å; Q288-K292 VanDerWaalsContact O-CG 3.25Å; Q288-K292 WeakPolarHBondContact O-CG 3.19Å; Q288-K292 PolarHBondContact O-N 3.26Å |
| 289 | E | 73.2 | Confident | 71.8 | Confident | 105 Ų | 105 | 74.8 Ų | 74.8 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68 | -41.9 | 177.4 | -66.7 | -53 | 133.8 | 0 | 0 | 111.8 | N287 L291 K292 H293 | N287-E289 VanDerWaalsContact C-N 3.3Å; N287-E289 PolarHBondContact O-N 3.23Å; E289-L291 VanDerWaalsContact C-N 3.31Å; E289-L291 PolarHBondContact O-N 2.9Å; E289-K292 WeakPolarHBondContact O-CB 3.46Å; E289-K292 PolarHBondContact O-N 2.87Å; E289-K292 VanDerWaalsContact O-N 3.17Å; E289-K292 IonicContact OE1-NZ 2.66Å; E289-K292 PolarHBondContact OE1-NZ 3.4Å; E289-H293 WeakPolarHBondContact O-CB 3.43Å; E289-H293 PolarHBondContact O-CD2 3.07Å; E289-H293 VanDerWaalsContact O-CD2 3.25Å; E289-H293 PolarHBondContact O-N 3.32Å |
| 290 | T | 70.8 | Confident | 69 | Low | 62 Ų | 62 | 76.7 Ų | 76.7 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 175.1 | -48.1 | 0 | 0 | 0 | 0 | 111.5 | N287 H293 L294 | N287-T290 WeakPolarHBondContact O-CB 3.44Å; N287-T290 PolarHBondContact O-N 3.43Å; N287-T290 VanDerWaalsContact O-N 3.12Å; T290-H293 PolarHBondContact O-N 2.88Å; T290-L294 HydrophobicContact CG2-CD1 4.09Å; T290-L294 HydrophobicContact CG2-CG 4.46Å; T290-L294 WeakPolarHBondContact O-CB 3.35Å; T290-L294 VanDerWaalsContact O-CG 3.25Å; T290-L294 WeakPolarHBondContact O-CG 3.35Å; T290-L294 PolarHBondContact O-N 3.44Å |
| 291 | L | 68.2 | Low | 66.3 | Low | 23 Ų | 23 | 82.5 Ų | 82.5 | 12% | 0.12 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68.4 | -34.7 | 177.6 | -69.8 | 170.3 | 0 | 0 | 0 | 112.3 | K223 L227 V284 N287 Q288 E289 K295 | K223-L291 HydrophobicContact CB-CD2 3.78Å; L227-L291 HydrophobicContact CD1-CD1 4.24Å; L227-L291 HydrophobicContact CD1-CD2 3.93Å; L227-L291 HydrophobicContact CD1-CG 4.15Å; V284-L291 HydrophobicContact CG1-CD1 3.96Å; V284-L291 HydrophobicContact CG2-CD1 4.45Å; N287-L291 WeakPolarHBondContact O-CG 3.5Å; N287-L291 PolarHBondContact O-N 3.41Å; Q288-L291 PolarHBondContact O-N 3.33Å; E289-L291 VanDerWaalsContact C-N 3.31Å; E289-L291 PolarHBondContact O-N 2.9Å; L291-K295 PolarHBondContact O-N 2.97Å |
| 292 | K | 65.4 | Low | 63.7 | Low | 111 Ų | 111 | 81.3 Ų | 81.3 | 48% | 0.483 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.4 | -42.5 | 171.2 | -69.3 | 169.6 | -166.3 | 170.8 | 0 | 111.8 | Q288 E289 K295 K296 | Q288-K292 VanDerWaalsContact O-CG 3.25Å; Q288-K292 WeakPolarHBondContact O-CG 3.19Å; Q288-K292 PolarHBondContact O-N 3.26Å; E289-K292 WeakPolarHBondContact O-CB 3.46Å; E289-K292 PolarHBondContact O-N 2.87Å; E289-K292 VanDerWaalsContact O-N 3.17Å; E289-K292 IonicContact OE1-NZ 2.66Å; E289-K292 PolarHBondContact OE1-NZ 3.4Å; K292-K295 WeakPolarHBondContact O-CB 3.4Å; K292-K295 PolarHBondContact O-N 3.27Å; K292-K296 PolarHBondContact O-N 2.92Å |
| 293 | H | 56.2 | Low | 60.7 | Low | 104 Ų | 104 | 84.2 Ų | 84.2 | 48% | 0.481 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.7 | -36.9 | 178.5 | -86.7 | -77.1 | 0 | 0 | 0 | 112.5 | E289 T290 K295 K296 L297 | E289-H293 WeakPolarHBondContact O-CB 3.43Å; E289-H293 PolarHBondContact O-CD2 3.07Å; E289-H293 VanDerWaalsContact O-CD2 3.25Å; E289-H293 PolarHBondContact O-N 3.32Å; T290-H293 PolarHBondContact O-N 2.88Å; H293-K295 VanDerWaalsContact C-N 3.3Å; H293-K295 PolarHBondContact O-N 2.81Å; H293-K296 CarbonylContact O-C 3.56Å; H293-K296 PolarHBondContact O-N 2.86Å; H293-L297 WeakPolarHBondContact O-CB 3.43Å; H293-L297 PolarHBondContact O-N 3.37Å |
| 294 | L | 49.5 | Very low | 57.8 | Low | 33 Ų | 33 | 88.3 Ų | 88.3 | 17% | 0.173 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61 | -38.2 | 173.4 | -78.9 | 167.1 | 0 | 0 | 0 | 111.5 | K223 T290 K296 M298 | K223-L294 HydrophobicContact CD-CD1 4.38Å; T290-L294 HydrophobicContact CG2-CD1 4.09Å; T290-L294 HydrophobicContact CG2-CG 4.46Å; T290-L294 WeakPolarHBondContact O-CB 3.35Å; T290-L294 VanDerWaalsContact O-CG 3.25Å; T290-L294 WeakPolarHBondContact O-CG 3.35Å; T290-L294 PolarHBondContact O-N 3.44Å; L294-K296 VanDerWaalsContact C-N 3.28Å; L294-K296 PolarHBondContact O-N 2.96Å; L294-M298 WeakPolarHBondContact O-CB 3.45Å; L294-M298 VanDerWaalsContact O-CG 3.31Å; L294-M298 WeakPolarHBondContact O-CG 3.2Å; L294-M298 PolarHBondContact O-N 3.14Å |
| 295 | K | 51.6 | Low | 55.2 | Low | 160 Ų | 160 | 89.4 Ų | 89.4 | 70% | 0.696 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -58.3 | -40 | 170.3 | -78.5 | -178.5 | 174 | 179.6 | 0 | 112.4 | L291 K292 H293 | L291-K295 PolarHBondContact O-N 2.97Å; K292-K295 WeakPolarHBondContact O-CB 3.4Å; K292-K295 PolarHBondContact O-N 3.27Å; H293-K295 VanDerWaalsContact C-N 3.3Å; H293-K295 PolarHBondContact O-N 2.81Å |
| 296 | K | 43.4 | Very low | 52.9 | Low | 150 Ų | 150 | 92.1 Ų | 92.1 | 65% | 0.652 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -79.3 | -39.7 | -177.5 | -160.7 | 174 | -177.1 | 179.7 | 0 | 112.9 | K292 H293 L294 G299 L300 | K292-K296 PolarHBondContact O-N 2.92Å; H293-K296 CarbonylContact O-C 3.56Å; H293-K296 PolarHBondContact O-N 2.86Å; L294-K296 VanDerWaalsContact C-N 3.28Å; L294-K296 PolarHBondContact O-N 2.96Å; K296-G299 PolarHBondContact O-N 2.93Å; K296-L300 WeakPolarHBondContact O-CG 3.48Å; K296-L300 PolarHBondContact O-N 3Å; K296-L300 VanDerWaalsContact O-N 3.16Å |
| 297 | L | 39.9 | Very low | 50.4 | Low | 73 Ų | 73 | 90.1 Ų | 90.1 | 38% | 0.382 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.9 | -39.8 | 178.9 | -79.1 | 168.1 | 0 | 0 | 0 | 111.8 | H293 G299 L300 F301 | H293-L297 WeakPolarHBondContact O-CB 3.43Å; H293-L297 PolarHBondContact O-N 3.37Å; L297-G299 PolarHBondContact O-N 3.4Å; L297-L300 PolarHBondContact O-N 3.1Å; L297-F301 HydrophobicContact CB-CD2 4.17Å; L297-F301 HydrophobicContact CB-CE2 4.02Å; L297-F301 HydrophobicContact CD2-CE2 3.92Å; L297-F301 HydrophobicContact CD2-CZ 4.49Å; L297-F301 HydrophobicContact CG-CE2 4.47Å; L297-F301 WeakPolarHBondContact O-CD2 3.34Å; L297-F301 PolarHBondContact O-N 3.36Å |
| 298 | M | 45.6 | Very low | 48 | Very low | 88 Ų | 88 | 93.1 Ų | 93.1 | 43% | 0.433 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.1 | -31.7 | 173.5 | -67.1 | -161 | -28.3 | 0 | 0 | 112.5 | K223 L294 L300 S302 | K223-M298 VanDerWaalsContact CE-SD 3.58Å; K223-M298 PolarHBondContact NZ-SD 3Å; L294-M298 WeakPolarHBondContact O-CB 3.45Å; L294-M298 VanDerWaalsContact O-CG 3.31Å; L294-M298 WeakPolarHBondContact O-CG 3.2Å; L294-M298 PolarHBondContact O-N 3.14Å; M298-L300 VanDerWaalsContact C-N 3.34Å; M298-S302 PolarHBondContact O-N 3.38Å; M298-S302 PolarHBondContact O-OG 3.2Å |
| 299 | G | 37.5 | Very low | 46.2 | Very low | 41 Ų | 41 | 94.9 Ų | 94.9 | 42% | 0.423 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.8 | -21.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | K296 L297 S302 | K296-G299 PolarHBondContact O-N 2.93Å; L297-G299 PolarHBondContact O-N 3.4Å; G299-S302 PolarHBondContact O-OG 2.98Å |
| 300 | L | 36.8 | Very low | 44.2 | Very low | 90 Ų | 90 | 97.6 Ų | 97.6 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -90.3 | -33.7 | 176.4 | -72.4 | 165.3 | 0 | 0 | 0 | 112.1 | K296 L297 M298 Y303 L304 | K296-L300 WeakPolarHBondContact O-CG 3.48Å; K296-L300 PolarHBondContact O-N 3Å; K296-L300 VanDerWaalsContact O-N 3.16Å; L297-L300 PolarHBondContact O-N 3.1Å; M298-L300 VanDerWaalsContact C-N 3.34Å; L300-Y303 WeakPolarHBondContact O-CB 3.47Å; L300-Y303 PolarHBondContact O-N 3.01Å; L300-L304 PolarHBondContact O-N 2.82Å |
| 301 | F | 39.3 | Very low | 42.9 | Very low | 122 Ų | 122 | 99.4 Ų | 99.4 | 54% | 0.535 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -74.7 | -28.8 | 176.6 | -73.9 | -63.6 | 0 | 0 | 0 | 113.1 | L297 Y303 L304 S305 | L297-F301 HydrophobicContact CB-CD2 4.17Å; L297-F301 HydrophobicContact CB-CE2 4.02Å; L297-F301 HydrophobicContact CD2-CE2 3.92Å; L297-F301 HydrophobicContact CD2-CZ 4.49Å; L297-F301 HydrophobicContact CG-CE2 4.47Å; L297-F301 WeakPolarHBondContact O-CD2 3.34Å; L297-F301 PolarHBondContact O-N 3.36Å; F301-Y303 VanDerWaalsContact C-N 3.3Å; F301-L304 HydrophobicContact CD1-CD1 4.47Å; F301-S305 WeakPolarHBondContact O-CB 3.34Å; F301-S305 PolarHBondContact O-N 3.04Å; F301-S305 PolarHBondContact O-OG 2.85Å |
| 302 | S | 38.9 | Very low | 41.6 | Very low | 64 Ų | 64 | 103.4 Ų | 103.4 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 165.7 | 56.2 | 0 | 0 | 0 | 0 | 111.3 | M298 G299 I306 | M298-S302 PolarHBondContact O-N 3.38Å; M298-S302 PolarHBondContact O-OG 3.2Å; G299-S302 PolarHBondContact O-OG 2.98Å; S302-I306 WeakPolarHBondContact O-CD1 3.33Å; S302-I306 WeakPolarHBondContact O-CG1 3.41Å; S302-I306 PolarHBondContact O-N 2.91Å |
| 303 | Y | 31.3 | Very low | 40.3 | Very low | 174 Ų | 174 | 103 Ų | 103 | 68% | 0.682 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.2 | -41.9 | 176.9 | -140 | -92.2 | 0 | 0 | 0 | 112.7 | L300 F301 I306 V307 | L300-Y303 WeakPolarHBondContact O-CB 3.47Å; L300-Y303 PolarHBondContact O-N 3.01Å; F301-Y303 VanDerWaalsContact C-N 3.3Å; Y303-I306 PolarHBondContact O-N 3.42Å; Y303-V307 WeakPolarHBondContact O-CG2 3.47Å; Y303-V307 PolarHBondContact O-N 3.23Å |
| 304 | L | 32.2 | Very low | 39.3 | Very low | 99 Ų | 99 | 102.9 Ų | 102.9 | 52% | 0.518 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.9 | -33.9 | 176.5 | -83 | 149.1 | 0 | 0 | 0 | 112.8 | L300 F301 I306 V307 T308 | L300-L304 PolarHBondContact O-N 2.82Å; F301-L304 HydrophobicContact CD1-CD1 4.47Å; L304-I306 VanDerWaalsContact C-N 3.28Å; L304-I306 PolarHBondContact O-N 3.03Å; L304-V307 PolarHBondContact O-N 3.32Å; L304-T308 WeakPolarHBondContact O-CG2 3.46Å; L304-T308 PolarHBondContact O-N 2.95Å; L304-T308 VanDerWaalsContact O-N 3.16Å; L304-T308 PolarHBondContact O-OG1 3.18Å |
| 305 | S | 36.2 | Very low | 38.7 | Very low | 41 Ų | 41 | 107.3 Ų | 107.3 | 29% | 0.287 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.4 | -25.7 | 174.4 | -83.8 | 0 | 0 | 0 | 0 | 114.1 | R103 F301 | R103-S305 PolarHBondContact NH2-OG 2.94Å; F301-S305 WeakPolarHBondContact O-CB 3.34Å; F301-S305 PolarHBondContact O-N 3.04Å; F301-S305 PolarHBondContact O-OG 2.85Å |
| 306 | I | 40.8 | Very low | 37.8 | Very low | 119 Ų | 119 | 103.8 Ų | 103.8 | 61% | 0.61 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -77.3 | -33.3 | 174.6 | -67.5 | 164.9 | 0 | 0 | 0 | 110.5 | S302 Y303 L304 | S302-I306 WeakPolarHBondContact O-CD1 3.33Å; S302-I306 WeakPolarHBondContact O-CG1 3.41Å; S302-I306 PolarHBondContact O-N 2.91Å; Y303-I306 PolarHBondContact O-N 3.42Å; L304-I306 VanDerWaalsContact C-N 3.28Å; L304-I306 PolarHBondContact O-N 3.03Å |
| 307 | V | 37 | Very low | 37.4 | Very low | 90 Ų | 90 | 100.5 Ų | 100.5 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -79.7 | -24.7 | -178.3 | 177.2 | 0 | 0 | 0 | 0 | 112.7 | Y303 L304 H309 | Y303-V307 WeakPolarHBondContact O-CG2 3.47Å; Y303-V307 PolarHBondContact O-N 3.23Å; L304-V307 PolarHBondContact O-N 3.32Å; V307-H309 VanDerWaalsContact C-N 3.34Å |
| 308 | T | 36.1 | Very low | 37.2 | Very low | 100 Ų | 100 | 102.6 Ų | 102.6 | 61% | 0.613 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 1.3 | 179.1 | 55.6 | 0 | 0 | 0 | 0 | 114.8 | L304 | L304-T308 WeakPolarHBondContact O-CG2 3.46Å; L304-T308 PolarHBondContact O-N 2.95Å; L304-T308 VanDerWaalsContact O-N 3.16Å; L304-T308 PolarHBondContact O-OG1 3.18Å |
| 309 | H | 39.6 | Very low | 36.6 | Very low | 143 Ų | 143 | 103.8 Ų | 103.8 | 66% | 0.662 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | 20.5 | 175.4 | -78.8 | -66.8 | 0 | 0 | 0 | 113.3 | V307 | V307-H309 VanDerWaalsContact C-N 3.34Š|
| 310 | S | 32.9 | Very low | 36.5 | Very low | 163 Ų | 163 | 109.5 Ų | 109.5 | 100% | 1.14 | 59% | 0.592 | S | S | * | * | trans | -115.9 | 0 | 166.6 | -58.6 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 310 of 310 residues in 140.9 ms
(Link to these results)