| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.1 | Very low | 34 | Very low | 243 Ų | 243 | 157.2 Ų | 157.2 | 100% | 1.197 | 84% | 0.835 | S | S | * | * | 0 | 116.9 | 0 | -154.2 | 166.2 | -168.1 | 0 | 0 | 106.7 | |||||
| 2 | F | 31 | Very low | 34.1 | Very low | 189 Ų | 189 | 156.8 Ų | 156.8 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | trans | -64.3 | 147.5 | 178.8 | -69.5 | -94.6 | 0 | 0 | 0 | 110.6 | ||||
| 3 | F | 34.7 | Very low | 34.3 | Very low | 207 Ų | 207 | 150.7 Ų | 150.7 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | 179.2 | 131.6 | 111.4 | -90.9 | -69.4 | 0 | 0 | 0 | 111.6 | |||||
| 4 | N | 30.3 | Very low | 34.4 | Very low | 151 Ų | 151 | 151.6 Ų | 151.6 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | trans | -66.5 | 158.8 | 166.3 | -91.2 | -66.3 | 0 | 0 | 0 | 112.1 | ||||
| 5 | F | 33.4 | Very low | 34.4 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | -157.8 | 126.1 | 131.5 | -135.2 | -113.6 | 0 | 0 | 0 | 115.4 | ||||
| 6 | K | 34.1 | Very low | 34.4 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 68% | 0.683 | 80% | 0.804 | S | S | * | * | trans | 49.3 | 111.1 | 144 | -79 | -164.1 | -174 | 167.1 | 0 | 124.4 | ||||
| 7 | S | 34.3 | Very low | 34.6 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | 38.4 | 125.8 | 107.8 | 74 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 8 | G | 33.8 | Very low | 35.2 | Very low | 84 Ų | 84 | 144.6 Ų | 144.6 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -137.3 | 122.5 | 148.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 9 | V | 34.9 | Very low | 35.7 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -96.5 | 140.7 | -177.8 | 168.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 10 | G | 35.2 | Very low | 35.8 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | -150 | 121.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 11 | R | 34.2 | Very low | 36.2 | Very low | 206 Ų | 206 | 142 Ų | 142 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -107.1 | 149.4 | -164 | -123.9 | -166 | -168.7 | -172.4 | 4.5 | 111.5 | ||||
| 12 | M | 35.7 | Very low | 36.4 | Very low | 152 Ų | 152 | 136 Ų | 136 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | 72.3 | 146.6 | 145.8 | -54.1 | -80.7 | -174.7 | 0 | 0 | 116.2 | ||||
| 13 | A | 36 | Very low | 36.9 | Very low | 78 Ų | 78 | 132.4 Ų | 132.4 | 65% | 0.645 | 77% | 0.768 | S | S | * | * | cis | -164.8 | 171.1 | 25.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 14 | H | 35.8 | Very low | 36.9 | Very low | 164 Ų | 164 | 129 Ų | 129 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | 89.5 | 98.5 | 150.5 | -76 | -60.2 | 0 | 0 | 0 | 121.8 | ||||
| 15 | D | 34.9 | Very low | 37.6 | Very low | 147 Ų | 147 | 127 Ų | 127 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | 38.8 | 120.3 | 112.4 | -55.2 | -34.7 | 0 | 0 | 0 | 119.7 | |||||
| 16 | G | 33.5 | Very low | 38 | Very low | 71 Ų | 71 | 127.9 Ų | 127.9 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | trans | 160.9 | 100.1 | 153.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 17 | V | 38.9 | Very low | 38.5 | Very low | 132 Ų | 132 | 124.5 Ų | 124.5 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | 85.7 | 122.5 | 149 | -162.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 18 | P | 45.5 | Very low | 39 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 84% | 0.844 | 77% | 0.768 | S | S | * | * | trans | -99.1 | 119.9 | 150.1 | 33.8 | -21.8 | 0 | 0 | 0 | 109.7 | ||||
| 19 | S | 43.3 | Very low | 39.8 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | trans | -102.9 | 108.5 | 171.7 | 138.9 | 0 | 0 | 0 | 0 | 108.5 | F21 | S19-F21 PolarHBondContact O-N 3.25Š| ||
| 20 | A | 39.3 | Very low | 40.6 | Very low | 93 Ų | 93 | 132.9 Ų | 132.9 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -66.6 | 123 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 21 | F | 43.4 | Very low | 41.6 | Very low | 196 Ų | 196 | 133.9 Ų | 133.9 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -120.8 | 132.6 | 159.5 | -102.5 | -89.2 | 0 | 0 | 0 | 109.5 | S19 | S19-F21 PolarHBondContact O-N 3.25Š| ||
| 22 | V | 41.7 | Very low | 42.6 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | trans | -103.5 | 137 | -169.2 | 161.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 23 | V | 41.4 | Very low | 43.7 | Very low | 114 Ų | 114 | 128 Ų | 128 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | trans | 87.9 | 110.2 | 144.4 | 163.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 24 | D | 34.7 | Very low | 44.4 | Very low | 136 Ų | 136 | 130 Ų | 130 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | 93.7 | 122.4 | 120.5 | -78.1 | 2.5 | 0 | 0 | 0 | 125.1 | |||||
| 25 | T | 46.3 | Very low | 45 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | 75.3 | 96.2 | 128.6 | -48.3 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 26 | H | 40.6 | Very low | 45.5 | Very low | 194 Ų | 194 | 135 Ų | 135 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | -145.8 | 109.8 | 139.3 | -94.1 | -75.2 | 0 | 0 | 0 | 112.4 | ||||
| 27 | A | 46.1 | Very low | 45.9 | Very low | 86 Ų | 86 | 134.7 Ų | 134.7 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | 39.6 | 112.1 | 146.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 28 | T | 43.8 | Very low | 46.4 | Very low | 142 Ų | 142 | 138 Ų | 138 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | trans | -149.3 | 110.8 | 134.5 | -60.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 29 | R | 51.6 | Low | 46.4 | Very low | 235 Ų | 235 | 141.1 Ų | 141.1 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 137.9 | 172.4 | -64.9 | 179.8 | 178.2 | -171.5 | -0.7 | 108.7 | ||
| 30 | P | 51.4 | Low | 46.6 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 139.6 | 175.1 | 26.8 | -31.1 | 0 | 0 | 0 | 110.2 | V32 | P30-V32 PolarHBondContact O-N 3.49Š|
| 31 | A | 54.9 | Low | 47.4 | Very low | 101 Ų | 101 | 150.3 Ų | 150.3 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 122.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 32 | V | 56.9 | Low | 47.8 | Very low | 133 Ų | 133 | 149.1 Ų | 149.1 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64 | 130 | 169.5 | 178 | 0 | 0 | 0 | 0 | 107.9 | P30 | P30-V32 PolarHBondContact O-N 3.49Š|
| 33 | P | 57.6 | Low | 48.5 | Very low | 101 Ų | 101 | 146 Ų | 146 | 66% | 0.656 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 143.9 | -178.8 | 24.9 | -31.9 | 0 | 0 | 0 | 110.6 | R35 | P33-R35 PolarHBondContact O-N 3.22Š|
| 34 | P | 51.6 | Low | 49.5 | Very low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62 | 130.5 | 177.8 | 25.4 | -31.2 | 0 | 0 | 0 | 109.2 | L36 | P34-L36 PolarHBondContact O-N 3.27Å; P34-L36 VanDerWaalsContact O-N 3.16Å |
| 35 | R | 47.6 | Very low | 51.3 | Low | 241 Ų | 241 | 139 Ų | 139 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 123 | 171.5 | -71.3 | 179.8 | 169 | -178.5 | -3.6 | 108.4 | P33 G37 | P33-R35 PolarHBondContact O-N 3.22Å; R35-G37 PolarHBondContact O-N 3.43Å |
| 36 | L | 45.1 | Very low | 52.8 | Low | 173 Ų | 173 | 137 Ų | 137 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | trans | -49.1 | 111.1 | 169.5 | -116.1 | 92 | 0 | 0 | 0 | 108 | P34 K38 | P34-L36 PolarHBondContact O-N 3.27Å; P34-L36 VanDerWaalsContact O-N 3.16Å; L36-K38 PolarHBondContact O-N 2.81Å | ||
| 37 | G | 41.6 | Very low | 54.8 | Low | 66 Ų | 66 | 133.2 Ų | 133.2 | 68% | 0.68 | 74% | 0.742 | S | S | * | * | trans | -55.3 | 129 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | R35 Q39 | R35-G37 PolarHBondContact O-N 3.43Å; G37-Q39 PolarHBondContact O-N 2.66Å | ||
| 38 | K | 51.1 | Low | 56.7 | Low | 200 Ų | 200 | 133 Ų | 133 | 87% | 0.87 | 73% | 0.732 | S | S | * | * | trans | -48.3 | 105.1 | 170.1 | -76.1 | 176.7 | 174.1 | 178.5 | 0 | 108.8 | L36 K40 | L36-K38 PolarHBondContact O-N 2.81Å; K38-K40 PolarHBondContact O-N 2.87Å | ||
| 39 | Q | 44 | Very low | 58.9 | Low | 197 Ų | 197 | 131.2 Ų | 131.2 | 92% | 0.921 | 72% | 0.716 | S | S | * | * | trans | -66.1 | 102 | 167.4 | -137 | -177.1 | -3.1 | 0 | 0 | 106.4 | G37 K41 | G37-Q39 PolarHBondContact O-N 2.66Å; Q39-K41 PolarHBondContact O-N 3.34Å; Q39-K41 VanDerWaalsContact O-N 3.12Å | ||
| 40 | K | 48.9 | Very low | 60.9 | Low | 184 Ų | 184 | 125.1 Ų | 125.1 | 80% | 0.8 | 70% | 0.7 | S | S | * | * | trans | -64 | 113.5 | 175 | -87.7 | 179.4 | 173.9 | 177.8 | 0 | 108.6 | K38 H42 | K38-K40 PolarHBondContact O-N 2.87Å; K40-H42 PolarHBondContact O-N 2.61Å | ||
| 41 | K | 56.2 | Low | 62.9 | Low | 190 Ų | 190 | 125.4 Ų | 125.4 | 83% | 0.826 | 69% | 0.69 | S | S | * | * | trans | 12.6 | 93.8 | 145.8 | -72.4 | 179.7 | 170.2 | -177.4 | 0 | 115.9 | Q39 | Q39-K41 PolarHBondContact O-N 3.34Å; Q39-K41 VanDerWaalsContact O-N 3.12Å | ||
| 42 | H | 51.2 | Low | 64.8 | Low | 172 Ų | 172 | 124.9 Ų | 124.9 | 80% | 0.796 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -104.5 | -8.4 | 154 | -79.9 | -76.5 | 0 | 0 | 0 | 113.3 | K40 | K40-H42 PolarHBondContact O-N 2.61Š|
| 43 | G | 55.9 | Low | 66.6 | Low | 52 Ų | 52 | 123.5 Ų | 123.5 | 54% | 0.536 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -73.1 | -25.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q47 | G43-Q47 WeakPolarHBondContact O-CB 3.47Å; G43-Q47 PolarHBondContact O-N 3.42Å |
| 44 | G | 62.8 | Low | 68.4 | Low | 30 Ų | 30 | 122 Ų | 122 | 31% | 0.309 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -69.7 | -47 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q47 T48 | G44-Q47 PolarHBondContact O-N 3.41Å; G44-T48 WeakPolarHBondContact O-CB 2.88Å; G44-T48 PolarHBondContact O-N 2.85Å; G44-T48 PolarHBondContact O-OG1 3.4Å |
| 45 | A | 72.1 | Confident | 70.5 | Confident | 74 Ų | 74 | 118.5 Ų | 118.5 | 61% | 0.612 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.8 | -42.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T48 L49 | A45-T48 PolarHBondContact O-N 2.87Å; A45-L49 WeakPolarHBondContact O-CB 3.33Å; A45-L49 PolarHBondContact O-N 2.82Å |
| 46 | A | 76.9 | Confident | 72.8 | Confident | 65 Ų | 65 | 112 Ų | 112 | 54% | 0.537 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.2 | -39 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L49 L50 | A46-L49 PolarHBondContact O-N 2.92Å; A46-L50 WeakPolarHBondContact O-CB 3.4Å; A46-L50 PolarHBondContact O-N 3.11Å |
| 47 | Q | 82.7 | Confident | 75.2 | Confident | 114 Ų | 114 | 106.7 Ų | 106.7 | 53% | 0.533 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.1 | -41 | 175.6 | -174 | 175.3 | 3.4 | 0 | 0 | 111.8 | G43 G44 L50 F51 | G43-Q47 WeakPolarHBondContact O-CB 3.47Å; G43-Q47 PolarHBondContact O-N 3.42Å; G44-Q47 PolarHBondContact O-N 3.41Å; Q47-L50 PolarHBondContact O-N 3.2Å; Q47-F51 HydrophobicContact CG-CD2 3.97Å; Q47-F51 HydrophobicContact CG-CE2 3.54Å; Q47-F51 HydrophobicContact CG-CZ 4.48Å; Q47-F51 WeakPolarHBondContact O-CD2 3.5Å; Q47-F51 PolarHBondContact O-N 3.38Å |
| 48 | T | 87 | Confident | 77.8 | Confident | 82 Ų | 82 | 109.1 Ų | 109.1 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.7 | -42.6 | 173.1 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | G44 A45 L50 F51 I52 | G44-T48 WeakPolarHBondContact O-CB 2.88Å; G44-T48 PolarHBondContact O-N 2.85Å; G44-T48 PolarHBondContact O-OG1 3.4Å; A45-T48 PolarHBondContact O-N 2.87Å; T48-L50 VanDerWaalsContact C-N 3.34Å; T48-L50 PolarHBondContact O-N 3.42Å; T48-F51 PolarHBondContact O-N 3.33Å; T48-I52 HydrophobicContact CG2-CD1 4.12Å; T48-I52 VanDerWaalsContact O-CG1 3.32Å; T48-I52 WeakPolarHBondContact O-CG1 3.42Å; T48-I52 PolarHBondContact O-N 3.3Å |
| 49 | L | 90.4 | Very high | 79.9 | Confident | 103 Ų | 103 | 103.7 Ų | 103.7 | 54% | 0.539 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.2 | -43.1 | 175.7 | -176.3 | 70.1 | 0 | 0 | 0 | 111.5 | A45 A46 F51 I52 L53 | A45-L49 WeakPolarHBondContact O-CB 3.33Å; A45-L49 PolarHBondContact O-N 2.82Å; A46-L49 PolarHBondContact O-N 2.92Å; L49-F51 PolarHBondContact O-N 2.83Å; L49-I52 PolarHBondContact O-N 3.5Å; L49-L53 HydrophobicContact CG-CD1 4.2Å; L49-L53 WeakPolarHBondContact O-CG 3.46Å; L49-L53 PolarHBondContact O-N 2.99Å |
| 50 | L | 92.3 | Very high | 82.3 | Confident | 107 Ų | 107 | 95.9 Ų | 95.9 | 56% | 0.56 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 177.1 | -170.4 | 150.5 | 0 | 0 | 0 | 111.3 | A46 Q47 T48 I52 L53 V54 | A46-L50 WeakPolarHBondContact O-CB 3.4Å; A46-L50 PolarHBondContact O-N 3.11Å; Q47-L50 PolarHBondContact O-N 3.2Å; T48-L50 VanDerWaalsContact C-N 3.34Å; T48-L50 PolarHBondContact O-N 3.42Å; L50-I52 VanDerWaalsContact C-N 3.34Å; L50-I52 PolarHBondContact O-N 2.7Å; L50-L53 PolarHBondContact O-N 2.93Å; L50-V54 HydrophobicContact CD2-CG2 3.97Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.41Å; L50-V54 PolarHBondContact O-N 2.87Å |
| 51 | F | 93.5 | Very high | 84.6 | Confident | 128 Ų | 128 | 91.5 Ų | 91.5 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.2 | -39.5 | 175.1 | -76.8 | -59.8 | 0 | 0 | 0 | 112.8 | Q47 T48 L49 V54 A55 | Q47-F51 HydrophobicContact CG-CD2 3.97Å; Q47-F51 HydrophobicContact CG-CE2 3.54Å; Q47-F51 HydrophobicContact CG-CZ 4.48Å; Q47-F51 WeakPolarHBondContact O-CD2 3.5Å; Q47-F51 PolarHBondContact O-N 3.38Å; T48-F51 PolarHBondContact O-N 3.33Å; L49-F51 PolarHBondContact O-N 2.83Å; F51-V54 PolarHBondContact O-N 3.4Å; F51-A55 VanDerWaalsContact O-CB 3.31Å; F51-A55 WeakPolarHBondContact O-CB 3.35Å; F51-A55 PolarHBondContact O-N 2.87Å |
| 52 | I | 94.9 | Very high | 86.5 | Confident | 89 Ų | 89 | 88.5 Ų | 88.5 | 46% | 0.456 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 176 | -68.4 | 165.6 | 0 | 0 | 0 | 110.7 | T48 L49 L50 A55 L56 | T48-I52 HydrophobicContact CG2-CD1 4.12Å; T48-I52 VanDerWaalsContact O-CG1 3.32Å; T48-I52 WeakPolarHBondContact O-CG1 3.42Å; T48-I52 PolarHBondContact O-N 3.3Å; L49-I52 PolarHBondContact O-N 3.5Å; L50-I52 VanDerWaalsContact C-N 3.34Å; L50-I52 PolarHBondContact O-N 2.7Å; I52-A55 PolarHBondContact O-N 2.96Å; I52-L56 HydrophobicContact CG2-CD1 3.87Å; I52-L56 HydrophobicContact CG2-CG 4.44Å; I52-L56 WeakPolarHBondContact O-CB 3.42Å; I52-L56 WeakPolarHBondContact O-CG 3.08Å; I52-L56 PolarHBondContact O-N 2.98Å |
| 53 | L | 94.5 | Very high | 88.6 | Confident | 104 Ų | 104 | 86.6 Ų | 86.6 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 178.6 | -73.4 | 170.3 | 0 | 0 | 0 | 111.9 | L49 L50 L56 A57 | L49-L53 HydrophobicContact CG-CD1 4.2Å; L49-L53 WeakPolarHBondContact O-CG 3.46Å; L49-L53 PolarHBondContact O-N 2.99Å; L50-L53 PolarHBondContact O-N 2.93Å; L53-L56 PolarHBondContact O-N 3.11Å; L53-A57 WeakPolarHBondContact O-CB 3.42Å; L53-A57 PolarHBondContact O-N 3.1Å |
| 54 | V | 95.9 | Very high | 90.3 | Very high | 70 Ų | 70 | 90.3 Ų | 90.3 | 42% | 0.424 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 175.7 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | L50 F51 L56 A57 L58 | L50-V54 HydrophobicContact CD2-CG2 3.97Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.41Å; L50-V54 PolarHBondContact O-N 2.87Å; F51-V54 PolarHBondContact O-N 3.4Å; V54-L56 PolarHBondContact O-N 3.44Å; V54-A57 PolarHBondContact O-N 3.35Å; V54-L58 HydrophobicContact CG1-CD1 3.96Å; V54-L58 HydrophobicContact CG1-CG 4.4Å; V54-L58 WeakPolarHBondContact O-CB 3.24Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.37Å; V54-L58 PolarHBondContact O-N 3.42Å |
| 55 | A | 95.9 | Very high | 91.8 | Very high | 47 Ų | 47 | 91.5 Ų | 91.5 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F51 I52 L58 L59 | F51-A55 VanDerWaalsContact O-CB 3.31Å; F51-A55 WeakPolarHBondContact O-CB 3.35Å; F51-A55 PolarHBondContact O-N 2.87Å; I52-A55 PolarHBondContact O-N 2.96Å; A55-L58 PolarHBondContact O-N 3.34Å; A55-L59 WeakPolarHBondContact O-CB 3.45Å; A55-L59 WeakPolarHBondContact O-CD1 3.39Å; A55-L59 WeakPolarHBondContact O-CG 3.26Å; A55-L59 PolarHBondContact O-N 2.87Å |
| 56 | L | 95.4 | Very high | 92.8 | Very high | 105 Ų | 105 | 90.8 Ų | 90.8 | 55% | 0.55 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 175.6 | -77.7 | 167.1 | 0 | 0 | 0 | 112.1 | I52 L53 V54 L59 G60 | I52-L56 HydrophobicContact CG2-CD1 3.87Å; I52-L56 HydrophobicContact CG2-CG 4.44Å; I52-L56 WeakPolarHBondContact O-CB 3.42Å; I52-L56 WeakPolarHBondContact O-CG 3.08Å; I52-L56 PolarHBondContact O-N 2.98Å; L53-L56 PolarHBondContact O-N 3.11Å; V54-L56 PolarHBondContact O-N 3.44Å; L56-L59 PolarHBondContact O-N 3.07Å; L56-G60 PolarHBondContact O-N 3.09Å |
| 57 | A | 96.1 | Very high | 93.5 | Very high | 61 Ų | 61 | 94.2 Ų | 94.2 | 50% | 0.504 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L53 V54 G60 V61 | L53-A57 WeakPolarHBondContact O-CB 3.42Å; L53-A57 PolarHBondContact O-N 3.1Å; V54-A57 PolarHBondContact O-N 3.35Å; A57-G60 PolarHBondContact O-N 3.23Å; A57-V61 WeakPolarHBondContact O-CG2 3.5Å; A57-V61 PolarHBondContact O-N 3.36Å |
| 58 | L | 96.5 | Very high | 93.8 | Very high | 117 Ų | 117 | 94.2 Ų | 94.2 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.3 | -38.2 | 177.1 | -69.7 | 172.6 | 0 | 0 | 0 | 112.3 | V54 A55 V61 F62 | V54-L58 HydrophobicContact CG1-CD1 3.96Å; V54-L58 HydrophobicContact CG1-CG 4.4Å; V54-L58 WeakPolarHBondContact O-CB 3.24Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.37Å; V54-L58 PolarHBondContact O-N 3.42Å; A55-L58 PolarHBondContact O-N 3.34Å; L58-V61 PolarHBondContact O-N 2.98Å; L58-F62 WeakPolarHBondContact O-CB 3.29Å; L58-F62 PolarHBondContact O-N 2.79Å |
| 59 | L | 95.8 | Very high | 94 | Very high | 87 Ų | 87 | 97 Ų | 97 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 172.4 | -81.6 | 159.9 | 0 | 0 | 0 | 111.2 | A55 L56 F62 F63 | A55-L59 WeakPolarHBondContact O-CB 3.45Å; A55-L59 WeakPolarHBondContact O-CD1 3.39Å; A55-L59 WeakPolarHBondContact O-CG 3.26Å; A55-L59 PolarHBondContact O-N 2.87Å; L56-L59 PolarHBondContact O-N 3.07Å; L59-F62 PolarHBondContact O-N 2.86Å; L59-F63 HydrophobicContact CB-CE2 4.41Å; L59-F63 HydrophobicContact CD2-CE2 4.04Å; L59-F63 WeakPolarHBondContact O-CD2 3.33Å; L59-F63 PolarHBondContact O-N 3.47Å |
| 60 | G | 93.8 | Very high | 93.9 | Very high | 32 Ų | 32 | 99.9 Ų | 99.9 | 33% | 0.33 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.5 | -52 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L56 A57 F62 F63 E64 | L56-G60 PolarHBondContact O-N 3.09Å; A57-G60 PolarHBondContact O-N 3.23Å; G60-F62 VanDerWaalsContact C-N 3.3Å; G60-F62 PolarHBondContact O-N 2.84Å; G60-F63 PolarHBondContact O-N 2.95Å; G60-E64 WeakPolarHBondContact O-CG 3.3Å; G60-E64 PolarHBondContact O-N 2.93Å |
| 61 | V | 96.3 | Very high | 93.4 | Very high | 93 Ų | 93 | 99.1 Ų | 99.1 | 56% | 0.564 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.8 | -39 | 177.4 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | A57 L58 E64 A65 | A57-V61 WeakPolarHBondContact O-CG2 3.5Å; A57-V61 PolarHBondContact O-N 3.36Å; L58-V61 PolarHBondContact O-N 2.98Å; V61-E64 PolarHBondContact O-N 3.22Å; V61-A65 WeakPolarHBondContact O-CB 3.46Å; V61-A65 PolarHBondContact O-N 3.48Å |
| 62 | F | 96.3 | Very high | 92.8 | Very high | 127 Ų | 127 | 99.6 Ų | 99.6 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.6 | -46.2 | 176.6 | 178.1 | -98.1 | 0 | 0 | 0 | 112.1 | L58 L59 G60 A65 V66 | L58-F62 WeakPolarHBondContact O-CB 3.29Å; L58-F62 PolarHBondContact O-N 2.79Å; L59-F62 PolarHBondContact O-N 2.86Å; G60-F62 VanDerWaalsContact C-N 3.3Å; G60-F62 PolarHBondContact O-N 2.84Å; F62-A65 PolarHBondContact O-N 3.48Å; F62-V66 HydrophobicContact CD1-CG2 4.28Å; F62-V66 HydrophobicContact CE1-CG2 3.89Å; F62-V66 HydrophobicContact CE2-CG2 4.19Å; F62-V66 HydrophobicContact CZ-CG2 3.83Å; F62-V66 VanDerWaalsContact O-CG2 3.3Å; F62-V66 WeakPolarHBondContact O-CG2 3.38Å; F62-V66 PolarHBondContact O-N 3.39Å |
| 63 | F | 95.1 | Very high | 91.9 | Very high | 132 Ų | 132 | 99.3 Ų | 99.3 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.1 | -39.9 | 177.5 | -76.9 | -65.3 | 0 | 0 | 0 | 112.3 | L59 G60 V66 F67 | L59-F63 HydrophobicContact CB-CE2 4.41Å; L59-F63 HydrophobicContact CD2-CE2 4.04Å; L59-F63 WeakPolarHBondContact O-CD2 3.33Å; L59-F63 PolarHBondContact O-N 3.47Å; G60-F63 PolarHBondContact O-N 2.95Å; F63-V66 PolarHBondContact O-N 3Å; F63-F67 VanDerWaalsContact O-CB 3.29Å; F63-F67 WeakPolarHBondContact O-CB 3Å; F63-F67 PolarHBondContact O-N 2.92Å |
| 64 | E | 92.8 | Very high | 90.5 | Very high | 129 Ų | 129 | 98 Ų | 98 | 60% | 0.603 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.4 | -45.3 | 174.1 | -73.5 | 177 | -177.3 | 0 | 0 | 111.5 | G60 V61 V66 F67 I68 | G60-E64 WeakPolarHBondContact O-CG 3.3Å; G60-E64 PolarHBondContact O-N 2.93Å; V61-E64 PolarHBondContact O-N 3.22Å; E64-V66 PolarHBondContact O-N 2.85Å; E64-F67 PolarHBondContact O-N 2.85Å; E64-I68 WeakPolarHBondContact O-CB 3.39Å; E64-I68 VanDerWaalsContact O-CG1 3.27Å; E64-I68 WeakPolarHBondContact O-CG1 3.36Å; E64-I68 PolarHBondContact O-N 2.88Å |
| 65 | A | 94.1 | Very high | 88.7 | Confident | 56 Ų | 56 | 102.3 Ų | 102.3 | 46% | 0.463 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V61 F62 Y69 | V61-A65 WeakPolarHBondContact O-CB 3.46Å; V61-A65 PolarHBondContact O-N 3.48Å; F62-A65 PolarHBondContact O-N 3.48Å; A65-Y69 VanDerWaalsContact O-CB 3.26Å; A65-Y69 WeakPolarHBondContact O-CB 3.5Å; A65-Y69 PolarHBondContact O-N 2.9Å |
| 66 | V | 93.2 | Very high | 86.8 | Confident | 58 Ų | 58 | 107.8 Ų | 107.8 | 35% | 0.352 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 174.8 | 170.9 | 0 | 0 | 0 | 0 | 111 | F62 F63 E64 Y69 R70 | F62-V66 HydrophobicContact CD1-CG2 4.28Å; F62-V66 HydrophobicContact CE1-CG2 3.89Å; F62-V66 HydrophobicContact CE2-CG2 4.19Å; F62-V66 HydrophobicContact CZ-CG2 3.83Å; F62-V66 VanDerWaalsContact O-CG2 3.3Å; F62-V66 WeakPolarHBondContact O-CG2 3.38Å; F62-V66 PolarHBondContact O-N 3.39Å; F63-V66 PolarHBondContact O-N 3Å; E64-V66 PolarHBondContact O-N 2.85Å; V66-Y69 PolarHBondContact O-N 2.94Å; V66-R70 HydrophobicContact CG1-CG 4.3Å; V66-R70 WeakPolarHBondContact O-CB 3.3Å; V66-R70 VanDerWaalsContact O-CG 3.24Å; V66-R70 WeakPolarHBondContact O-CG 3.34Å; V66-R70 PolarHBondContact O-N 2.86Å |
| 67 | F | 90.3 | Very high | 84.2 | Confident | 138 Ų | 138 | 105.4 Ų | 105.4 | 61% | 0.605 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.1 | -45.1 | 179.2 | -172.4 | -104.4 | 0 | 0 | 0 | 111.8 | F63 E64 Y69 R70 L71 | F63-F67 VanDerWaalsContact O-CB 3.29Å; F63-F67 WeakPolarHBondContact O-CB 3Å; F63-F67 PolarHBondContact O-N 2.92Å; E64-F67 PolarHBondContact O-N 2.85Å; F67-Y69 VanDerWaalsContact C-N 3.33Å; F67-Y69 PolarHBondContact O-N 3.06Å; F67-R70 PolarHBondContact O-N 2.81Å; F67-L71 HydrophobicContact CD1-CD1 3.71Å; F67-L71 HydrophobicContact CE1-CD1 3.31Å; F67-L71 HydrophobicContact CE1-CG 4.3Å; F67-L71 HydrophobicContact CZ-CD1 3.89Å; F67-L71 WeakPolarHBondContact O-CB 3.27Å; F67-L71 PolarHBondContact O-N 2.77Å |
| 68 | I | 90.7 | Very high | 81.9 | Confident | 114 Ų | 114 | 108.5 Ų | 108.5 | 59% | 0.585 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.3 | -43.5 | 174.2 | -67.1 | 165.8 | 0 | 0 | 0 | 110.4 | E64 R70 L71 Y72 | E64-I68 WeakPolarHBondContact O-CB 3.39Å; E64-I68 VanDerWaalsContact O-CG1 3.27Å; E64-I68 WeakPolarHBondContact O-CG1 3.36Å; E64-I68 PolarHBondContact O-N 2.88Å; I68-R70 PolarHBondContact O-N 2.74Å; I68-L71 PolarHBondContact O-N 3.15Å; I68-Y72 WeakPolarHBondContact O-CB 3.45Å; I68-Y72 PolarHBondContact O-N 3.4Å |
| 69 | Y | 91.4 | Very high | 79.3 | Confident | 140 Ų | 140 | 108.6 Ų | 108.6 | 55% | 0.549 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.2 | -41.9 | 177 | -178.9 | -102.4 | 0 | 0 | 0 | 112.6 | A65 V66 F67 Y72 Q73 | A65-Y69 VanDerWaalsContact O-CB 3.26Å; A65-Y69 WeakPolarHBondContact O-CB 3.5Å; A65-Y69 PolarHBondContact O-N 2.9Å; V66-Y69 PolarHBondContact O-N 2.94Å; F67-Y69 VanDerWaalsContact C-N 3.33Å; F67-Y69 PolarHBondContact O-N 3.06Å; Y69-Y72 PolarHBondContact O-N 3.09Å; Y69-Q73 HydrophobicContact CD1-CG 4.46Å; Y69-Q73 VanDerWaalsContact CE1-CD 3.49Å; Y69-Q73 HydrophobicContact CE1-CG 4.13Å; Y69-Q73 VanDerWaalsContact CE1-NE2 3.27Å; Y69-Q73 WeakPolarHBondContact O-CG 3.38Å; Y69-Q73 PolarHBondContact O-N 2.77Å; Y69-Q73 PolarHBondContact OH-NE2 3.11Å |
| 70 | R | 86.5 | Confident | 76.6 | Confident | 163 Ų | 163 | 107.6 Ų | 107.6 | 62% | 0.615 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.3 | -41 | 175.3 | -76 | -69 | -140.2 | -148.6 | 2.6 | 111.9 | V66 F67 I68 Q73 S74 | V66-R70 HydrophobicContact CG1-CG 4.3Å; V66-R70 WeakPolarHBondContact O-CB 3.3Å; V66-R70 VanDerWaalsContact O-CG 3.24Å; V66-R70 WeakPolarHBondContact O-CG 3.34Å; V66-R70 PolarHBondContact O-N 2.86Å; F67-R70 PolarHBondContact O-N 2.81Å; I68-R70 PolarHBondContact O-N 2.74Å; R70-Q73 PolarHBondContact O-N 3.05Å; R70-S74 WeakPolarHBondContact O-CB 3.29Å; R70-S74 PolarHBondContact O-N 3.02Å; R70-S74 PolarHBondContact O-OG 3.37Å |
| 71 | L | 82.1 | Confident | 73.9 | Confident | 92 Ų | 92 | 110.7 Ų | 110.7 | 48% | 0.482 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.7 | -49.1 | 173.9 | -95.8 | 162.9 | 0 | 0 | 0 | 110.7 | F67 I68 Q73 S74 E75 | F67-L71 HydrophobicContact CD1-CD1 3.71Å; F67-L71 HydrophobicContact CE1-CD1 3.31Å; F67-L71 HydrophobicContact CE1-CG 4.3Å; F67-L71 HydrophobicContact CZ-CD1 3.89Å; F67-L71 WeakPolarHBondContact O-CB 3.27Å; F67-L71 PolarHBondContact O-N 2.77Å; I68-L71 PolarHBondContact O-N 3.15Å; L71-Q73 VanDerWaalsContact C-N 3.34Å; L71-Q73 PolarHBondContact O-N 2.91Å; L71-S74 WeakPolarHBondContact CA-OG 3.18Å; L71-S74 PolarHBondContact O-N 2.76Å; L71-S74 VanDerWaalsContact O-N 3.1Å; L71-S74 PolarHBondContact O-OG 3.39Å; L71-E75 PolarHBondContact O-N 3.18Å; L71-E75 VanDerWaalsContact O-N 3.11Å |
| 72 | Y | 81.7 | Confident | 71.3 | Confident | 137 Ų | 137 | 113.5 Ų | 113.5 | 54% | 0.537 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59.9 | -44.6 | 177.3 | -162.2 | -103.5 | 0 | 0 | 0 | 111.1 | I68 Y69 S74 E75 Y76 | I68-Y72 WeakPolarHBondContact O-CB 3.45Å; I68-Y72 PolarHBondContact O-N 3.4Å; Y69-Y72 PolarHBondContact O-N 3.09Å; Y72-S74 PolarHBondContact O-N 2.58Å; Y72-E75 PolarHBondContact O-N 2.91Å; Y72-Y76 HydrophobicContact CD1-CD2 4.37Å; Y72-Y76 HydrophobicContact CD1-CE2 4.39Å; Y72-Y76 HydrophobicContact CE1-CD2 4.17Å; Y72-Y76 AromaticContact CE1-CE2 3.84Å; Y72-Y76 HydrophobicContact CE1-CE2 3.84Å; Y72-Y76 HydrophobicContact CE2-CE2 4.03Å; Y72-Y76 AromaticContact CZ-CE2 3.63Å; Y72-Y76 VanDerWaalsContact O-CD2 3.3Å; Y72-Y76 WeakPolarHBondContact O-CD2 3.35Å |
| 73 | Q | 76.2 | Confident | 68.5 | Low | 84 Ų | 84 | 111.8 Ų | 111.8 | 39% | 0.393 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67 | -32.7 | 174.7 | -74.9 | -162.3 | -15.9 | 0 | 0 | 114.2 | Y69 R70 L71 E75 Y76 A77 | Y69-Q73 HydrophobicContact CD1-CG 4.46Å; Y69-Q73 VanDerWaalsContact CE1-CD 3.49Å; Y69-Q73 HydrophobicContact CE1-CG 4.13Å; Y69-Q73 VanDerWaalsContact CE1-NE2 3.27Å; Y69-Q73 WeakPolarHBondContact O-CG 3.38Å; Y69-Q73 PolarHBondContact O-N 2.77Å; Y69-Q73 PolarHBondContact OH-NE2 3.11Å; R70-Q73 PolarHBondContact O-N 3.05Å; L71-Q73 VanDerWaalsContact C-N 3.34Å; L71-Q73 PolarHBondContact O-N 2.91Å; Q73-E75 PolarHBondContact O-N 3.32Å; Q73-Y76 CarbonylContact O-C 3.56Å; Q73-Y76 PolarHBondContact O-N 3.38Å; Q73-Y76 VanDerWaalsContact O-N 3.11Å; Q73-A77 WeakPolarHBondContact O-CB 3.41Å; Q73-A77 PolarHBondContact O-N 3.41Å |
| 74 | S | 63.7 | Low | 65.8 | Low | 76 Ų | 76 | 114.5 Ų | 114.5 | 53% | 0.531 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.5 | -27.8 | 177.7 | 70.6 | 0 | 0 | 0 | 0 | 112.6 | R70 L71 Y72 Y76 | R70-S74 WeakPolarHBondContact O-CB 3.29Å; R70-S74 PolarHBondContact O-N 3.02Å; R70-S74 PolarHBondContact O-OG 3.37Å; L71-S74 WeakPolarHBondContact CA-OG 3.18Å; L71-S74 PolarHBondContact O-N 2.76Å; L71-S74 VanDerWaalsContact O-N 3.1Å; L71-S74 PolarHBondContact O-OG 3.39Å; Y72-S74 PolarHBondContact O-N 2.58Å; S74-Y76 VanDerWaalsContact C-N 3.27Å |
| 75 | E | 59.1 | Low | 63.4 | Low | 160 Ų | 160 | 117 Ų | 117 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.5 | -19.1 | 173.7 | -146.4 | 167.2 | -166.9 | 0 | 0 | 112.1 | L71 Y72 Q73 | L71-E75 PolarHBondContact O-N 3.18Å; L71-E75 VanDerWaalsContact O-N 3.11Å; Y72-E75 PolarHBondContact O-N 2.91Å; Q73-E75 PolarHBondContact O-N 3.32Å |
| 76 | Y | 55.6 | Low | 60.9 | Low | 163 Ų | 163 | 122.2 Ų | 122.2 | 64% | 0.639 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -110.1 | -3.2 | 179.4 | -77.8 | -83.6 | 0 | 0 | 0 | 114.9 | Y72 Q73 S74 P78 | Y72-Y76 HydrophobicContact CD1-CD2 4.37Å; Y72-Y76 HydrophobicContact CD1-CE2 4.39Å; Y72-Y76 HydrophobicContact CE1-CD2 4.17Å; Y72-Y76 AromaticContact CE1-CE2 3.84Å; Y72-Y76 HydrophobicContact CE1-CE2 3.84Å; Y72-Y76 HydrophobicContact CE2-CE2 4.03Å; Y72-Y76 AromaticContact CZ-CE2 3.63Å; Y72-Y76 VanDerWaalsContact O-CD2 3.3Å; Y72-Y76 WeakPolarHBondContact O-CD2 3.35Å; Q73-Y76 CarbonylContact O-C 3.56Å; Q73-Y76 PolarHBondContact O-N 3.38Å; Q73-Y76 VanDerWaalsContact O-N 3.11Å; S74-Y76 VanDerWaalsContact C-N 3.27Å; Y76-P78 WeakPolarHBondContact O-CD 3.41Å |
| 77 | A | 40.6 | Very low | 58.5 | Low | 55 Ų | 55 | 126.9 Ų | 126.9 | 46% | 0.455 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -89.8 | 111.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q73 S79 | Q73-A77 WeakPolarHBondContact O-CB 3.41Å; Q73-A77 PolarHBondContact O-N 3.41Å; A77-S79 PolarHBondContact O-N 2.93Å |
| 78 | P | 48.8 | Very low | 56.3 | Low | 126 Ų | 126 | 124 Ų | 124 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | trans | -66.8 | 101.6 | 172.6 | 28.1 | -30.4 | 0 | 0 | 0 | 107.1 | Y76 G80 | Y76-P78 WeakPolarHBondContact O-CD 3.41Å; P78-G80 PolarHBondContact O-N 3.24Å | ||
| 79 | S | 41.5 | Very low | 53.9 | Low | 119 Ų | 119 | 124.3 Ų | 124.3 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | trans | -67 | 92.5 | 171.8 | -72.2 | 0 | 0 | 0 | 0 | 107.7 | A77 S81 | A77-S79 PolarHBondContact O-N 2.93Å; S79-S81 PolarHBondContact O-N 3.25Å | ||
| 80 | G | 37.9 | Very low | 51.8 | Low | 65 Ų | 65 | 123.1 Ų | 123.1 | 67% | 0.67 | 71% | 0.706 | S | S | * | * | trans | -58.7 | 119.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | P78 | P78-G80 PolarHBondContact O-N 3.24Š| ||
| 81 | S | 38.7 | Very low | 49.8 | Very low | 97 Ų | 97 | 121 Ų | 121 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | trans | 29.4 | 114.3 | 131.2 | -169.7 | 0 | 0 | 0 | 0 | 117.1 | S79 S83 | S79-S81 PolarHBondContact O-N 3.25Å; S81-S83 PolarHBondContact OG-N 2.91Å | ||
| 82 | T | 40.9 | Very low | 48.1 | Very low | 152 Ų | 152 | 122.1 Ų | 122.1 | 93% | 0.933 | 73% | 0.726 | S | S | * | * | trans | -127.2 | 77.7 | 138.6 | -38.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 83 | S | 38.2 | Very low | 46.3 | Very low | 91 Ų | 91 | 123.2 Ų | 123.2 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | trans | -115 | 119.9 | 160.6 | 75.5 | 0 | 0 | 0 | 0 | 109.3 | S81 Q85 | S81-S83 PolarHBondContact OG-N 2.91Å; S83-Q85 PolarHBondContact O-N 2.87Å | ||
| 84 | M | 37.2 | Very low | 45 | Very low | 189 Ų | 189 | 125.2 Ų | 125.2 | 93% | 0.931 | 76% | 0.759 | S | S | * | * | trans | -59.7 | 119.9 | 166.5 | -77.8 | -176.3 | 165.4 | 0 | 0 | 108.1 | ||||
| 85 | Q | 43 | Very low | 44.2 | Very low | 182 Ų | 182 | 128.1 Ų | 128.1 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -68.7 | 129.3 | 170.5 | -72.9 | 179.6 | -13.5 | 0 | 0 | 109.8 | S83 | S83-Q85 PolarHBondContact O-N 2.87Š| ||
| 86 | I | 42 | Very low | 43.4 | Very low | 166 Ų | 166 | 126.4 Ų | 126.4 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -129.1 | 117 | 151.5 | -62.3 | -176.6 | 0 | 0 | 0 | 108.1 | ||||
| 87 | N | 42.9 | Very low | 43 | Very low | 156 Ų | 156 | 126.5 Ų | 126.5 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -17.6 | 132.2 | 172.3 | -72.7 | -16.4 | 0 | 0 | 0 | 120 | ||||
| 88 | G | 43 | Very low | 43.6 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 114.2 | 91.3 | 114.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 89 | S | 39.9 | Very low | 43.8 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -173.3 | 158.7 | 150.5 | 54.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 90 | P | 48.9 | Very low | 44.9 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -82 | 173 | -149.7 | 38 | -36.8 | 0 | 0 | 0 | 114.1 | ||
| 91 | P | 44.1 | Very low | 46.8 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 140.8 | -156.6 | 30.9 | -31 | 0 | 0 | 0 | 111.7 | ||
| 92 | P | 46.4 | Very low | 48.8 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 133.5 | 173.8 | 29.8 | -30.2 | 0 | 0 | 0 | 109.7 | T94 | P92-T94 PolarHBondContact O-N 2.94Š|
| 93 | D | 42.9 | Very low | 51.1 | Low | 159 Ų | 159 | 133 Ų | 133 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 132.8 | 167.9 | -93.6 | -39.2 | 0 | 0 | 0 | 110.1 | T95 | D93-T95 PolarHBondContact O-N 3.5Š|
| 94 | T | 50 | Low | 53.7 | Low | 127 Ų | 127 | 134 Ų | 134 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -53.9 | 110.4 | 178.1 | 36.6 | 0 | 0 | 0 | 0 | 112.7 | P92 | P92-T94 PolarHBondContact O-N 2.94Š|
| 95 | T | 46.1 | Very low | 56.5 | Low | 137 Ų | 137 | 129.3 Ų | 129.3 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | -178.7 | 62 | 134 | 30.2 | 0 | 0 | 0 | 0 | 110.2 | D93 | D93-T95 PolarHBondContact O-N 3.5Š| ||
| 96 | D | 41.7 | Very low | 59.1 | Low | 124 Ų | 124 | 120.6 Ų | 120.6 | 66% | 0.663 | 71% | 0.709 | S | S | * | * | trans | -97.6 | 96.5 | 166.1 | -88.3 | -17.8 | 0 | 0 | 0 | 108.5 | E98 | D96-E98 PolarHBondContact O-N 3.35Š| ||
| 97 | L | 48.7 | Very low | 61.8 | Low | 164 Ų | 164 | 114 Ų | 114 | 86% | 0.859 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -67.8 | 114.3 | 160 | -168.2 | 71.2 | 0 | 0 | 0 | 105.9 | ||
| 98 | E | 52 | Low | 64.5 | Low | 162 Ų | 162 | 106.6 Ų | 106.6 | 76% | 0.757 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 71.8 | 112.8 | -176 | -61.3 | 171.9 | 131.4 | 0 | 0 | 114.4 | D96 R100 | D96-E98 PolarHBondContact O-N 3.35Å; E98-R100 PolarHBondContact O-N 3.48Å |
| 99 | G | 53.8 | Low | 67.1 | Low | 90 Ų | 90 | 105.8 Ų | 105.8 | 93% | 0.928 | 61% | 0.612 | S | S | * | * | trans | -65.5 | 48.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 100 | R | 65.4 | Low | 69.8 | Low | 219 Ų | 219 | 100.1 Ų | 100.1 | 83% | 0.826 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 116.2 | 172.2 | -162.2 | 173.2 | -170.4 | 145.3 | 1.5 | 107.1 | E98 | E98-R100 PolarHBondContact O-N 3.48Š|
| 101 | L | 76.8 | Confident | 72.1 | Confident | 159 Ų | 159 | 95.6 Ų | 95.6 | 83% | 0.832 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 131.9 | 172.5 | -70 | 169.1 | 0 | 0 | 0 | 109.1 | ||
| 102 | P | 81.6 | Confident | 74.5 | Confident | 70 Ų | 70 | 90.2 Ų | 90.2 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 149.1 | 177.6 | 22.7 | -31.7 | 0 | 0 | 0 | 110.3 | Y134 | P102-Y134 HydrophobicContact CB-CD2 4.32Å; P102-Y134 HydrophobicContact CB-CE2 3.53Å |
| 103 | P | 89.4 | Confident | 76.6 | Confident | 51 Ų | 51 | 85.4 Ų | 85.4 | 33% | 0.331 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 146.8 | 174.2 | -23.5 | 32.6 | 0 | 0 | 0 | 111.4 | K105 V107 Y134 | P103-K105 VanDerWaalsContact C-N 3.26Å; P103-K105 PolarHBondContact O-N 2.96Å; P103-V107 HydrophobicContact CB-CG1 3.78Å; P103-V107 HydrophobicContact CG-CG1 3.65Å; P103-Y134 HydrophobicContact CB-CD1 3.74Å; P103-Y134 HydrophobicContact CB-CE1 4.12Å; P103-Y134 HydrophobicContact CB-CG 4.13Å; P103-Y134 HydrophobicContact CG-CD1 4.01Å; P103-Y134 HydrophobicContact CG-CD2 4.38Å; P103-Y134 HydrophobicContact CG-CG 3.86Å; P103-Y134 WeakPolarHBondContact O-CE1 3.45Å; P103-Y134 PolarHBondContact O-OH 3.02Å |
| 104 | S | 91.9 | Very high | 78.6 | Confident | 113 Ų | 113 | 86.8 Ų | 86.8 | 79% | 0.79 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -80.6 | -7.5 | 178.5 | 66 | 0 | 0 | 0 | 0 | 113.9 | ||
| 105 | K | 96.3 | Very high | 80.6 | Confident | 89 Ų | 89 | 83.2 Ų | 83.2 | 39% | 0.387 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -143.4 | 152.2 | -174.1 | -73.5 | -174 | -176.6 | 178.4 | 0 | 109.8 | P103 V107 Y134 M241 I242 | P103-K105 VanDerWaalsContact C-N 3.26Å; P103-K105 PolarHBondContact O-N 2.96Å; K105-V107 PolarHBondContact O-N 2.91Å; K105-Y134 WeakPolarHBondContact O-CD1 3.36Å; K105-M241 HydrophobicContact CB-CB 4.32Å; K105-M241 WeakPolarHBondContact CD-O 3.44Å; K105-I242 PolarHBondContact NZ-OXT 2.81Å |
| 106 | P | 98.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 42% | 0.419 | C | S | . | . | trans | -51.8 | 130.5 | 174.3 | -25.2 | 30.2 | 0 | 0 | 0 | 112.4 | Y134 E135 M136 K147 Y151 F240 M241 | P106-Y134 VanDerWaalsContact CA-O 3.29Å; P106-Y134 WeakPolarHBondContact CA-O 3.11Å; P106-E135 HydrophobicContact CB-CB 4Å; P106-E135 WeakPolarHBondContact CD-OE2 3.43Å; P106-E135 HydrophobicContact CG-CB 3.87Å; P106-E135 WeakPolarHBondContact CG-OE2 3.3Å; P106-M136 HydrophobicContact CB-CE 4.42Å; P106-M136 HydrophobicContact CB-CG 4.04Å; P106-K147 HydrophobicContact CG-CB 4.03Å; P106-K147 HydrophobicContact CG-CD 3.94Å; P106-Y151 HydrophobicContact CB-CE1 3.94Å; P106-Y151 WeakPolarHBondContact CG-OH 3.14Å; P106-F240 WeakPolarHBondContact O-CA 3.37Å; P106-M241 HydrophobicContact CB-CB 4.22Å; P106-M241 HydrophobicContact CG-CB 4.15Å; P106-M241 HydrophobicContact CG-SD 3.96Å; P106-M241 PolarHBondContact O-N 2.83Å | ||
| 107 | V | 98.2 | Very high | 85.3 | Confident | 28 Ų | 28 | 81.6 Ų | 81.6 | 17% | 0.17 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 141.1 | 179.5 | 59.3 | 0 | 0 | 0 | 0 | 111.4 | P103 K105 L132 Y134 A239 F240 | P103-V107 HydrophobicContact CB-CG1 3.78Å; P103-V107 HydrophobicContact CG-CG1 3.65Å; K105-V107 PolarHBondContact O-N 2.91Å; V107-L132 HydrophobicContact CG1-CD1 4.39Å; V107-L132 HydrophobicContact CG1-CD2 4.16Å; V107-L132 HydrophobicContact CG1-CG 4.27Å; V107-L132 HydrophobicContact CG2-CD2 3.76Å; V107-L132 HydrophobicContact CG2-CG 4.42Å; V107-Y134 PolarHBondContact N-O 2.95Å; V107-Y134 PolarHBondContact O-N 3.49Å; V107-A239 CarbonylContact C-O 3.49Å; V107-A239 WeakPolarHBondContact CA-O 3.31Å; V107-F240 HydrophobicContact CB-CB 4.26Å; V107-F240 HydrophobicContact CG2-CB 4.09Å |
| 108 | A | 98.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 136.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | L132 L133 M136 L143 G238 A239 | A108-L132 CarbonylContact C-O 3.56Å; A108-L132 WeakPolarHBondContact CA-O 3.36Å; A108-L133 HydrophobicContact CB-CD2 3.81Å; A108-M136 HydrophobicContact CB-CE 3.35Å; A108-M136 HydrophobicContact CB-SD 4.4Å; A108-L143 HydrophobicContact CB-CD1 3.5Å; A108-L143 VanDerWaalsContact CB-CD1 3.5Å; A108-L143 HydrophobicContact CB-CD2 3.68Å; A108-L143 HydrophobicContact CB-CG 4.24Å; A108-G238 CarbonylContact O-C 3.55Å; A108-G238 WeakPolarHBondContact O-CA 3.44Å; A108-A239 PolarHBondContact N-O 2.75Å; A108-A239 PolarHBondContact O-N 2.87Å |
| 109 | H | 98 | Very high | 89.6 | Confident | 60 Ų | 60 | 69 Ų | 69 | 28% | 0.278 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 113.3 | 166.6 | -173.1 | 82.6 | 0 | 0 | 0 | 108.8 | L132 Y154 | H109-L132 HydrophobicContact CB-CB 4.02Å; H109-L132 HydrophobicContact CB-CD2 4.41Å; H109-L132 PolarHBondContact N-O 2.86Å; H109-L132 PolarHBondContact O-N 2.87Å; H109-L132 VanDerWaalsContact O-N 3.15Å; H109-Y154 AromaticContact ND1-CE2 3.82Å; H109-Y154 AromaticContact ND1-CZ 3.75Å; H109-Y154 PolarHBondContact ND1-OH 2.75Å |
| 110 | L | 97.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 133.2 | -178.2 | -57.5 | -178.9 | 0 | 0 | 0 | 108.7 | W125 P131 L133 Y138 L143 V236 F237 | L110-W125 HydrophobicContact CB-CB 3.71Å; L110-W125 HydrophobicContact CB-CD2 3.97Å; L110-W125 HydrophobicContact CB-CE3 4.2Å; L110-W125 HydrophobicContact CB-CG 3.72Å; L110-W125 HydrophobicContact CD1-CB 4.09Å; L110-W125 HydrophobicContact CD1-CG 3.89Å; L110-W125 HydrophobicContact CG-CB 4.37Å; L110-W125 HydrophobicContact CG-CG 4.42Å; L110-P131 HydrophobicContact CD2-CB 3.55Å; L110-P131 HydrophobicContact CD2-CG 4.43Å; L110-L133 HydrophobicContact CD2-CD1 4.47Å; L110-L133 HydrophobicContact CD2-CD2 4.02Å; L110-L133 HydrophobicContact CD2-CG 4.26Å; L110-Y138 HydrophobicContact CD1-CD2 3.63Å; L110-Y138 HydrophobicContact CD1-CE2 4Å; L110-Y138 HydrophobicContact CD1-CG 4.18Å; L110-L143 HydrophobicContact CD1-CD1 4.43Å; L110-V236 CarbonylContact O-C 3.51Å; L110-V236 VanDerWaalsContact O-CA 3.31Å; L110-V236 WeakPolarHBondContact O-CA 3.38Å; L110-F237 WeakPolarHBondContact CA-O 3.41Å; L110-F237 VanDerWaalsContact CB-O 3.3Å; L110-F237 WeakPolarHBondContact CB-O 3.47Å; L110-F237 HydrophobicContact CD1-CD1 3.95Å; L110-F237 PolarHBondContact N-O 3.29Å; L110-F237 PolarHBondContact O-N 2.8Å |
| 111 | T | 97.3 | Very high | 93.1 | Very high | 21 Ų | 21 | 63.2 Ų | 63.2 | 13% | 0.129 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 164.3 | 177.3 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | S126 S232 V236 | T111-S126 WeakPolarHBondContact O-CB 3.22Å; T111-S126 PolarHBondContact O-N 2.9Å; T111-S232 WeakPolarHBondContact CB-O 3.39Å; T111-V236 HydrophobicContact CG2-CG1 4.14Å |
| 112 | D | 94 | Very high | 94.1 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | trans | -72.2 | 157.4 | 167.6 | -166.5 | 14.7 | 0 | 0 | 0 | 111.5 | R229 S232 N235 | D112-R229 VanDerWaalsContact CG-NE 3.33Å; D112-R229 IonicContact OD1-CZ 3.62Å; D112-R229 IonicContact OD1-NE 3.24Å; D112-R229 PolarHBondContact OD1-NE 3.28Å; D112-R229 IonicContact OD1-NH2 3.05Å; D112-R229 PolarHBondContact OD1-NH2 3.08Å; D112-R229 WeakPolarHBondContact OD2-CB 3.3Å; D112-R229 VanDerWaalsContact OD2-CG 3.23Å; D112-R229 WeakPolarHBondContact OD2-CG 3.48Å; D112-R229 IonicContact OD2-CZ 3.17Å; D112-R229 IonicContact OD2-NE 3.05Å; D112-R229 PolarHBondContact OD2-NE 3.23Å; D112-R229 IonicContact OD2-NH2 2.65Å; D112-S232 WeakPolarHBondContact O-CB 3.37Å; D112-N235 HydrophobicContact CB-CB 3.94Å; D112-N235 PolarHBondContact N-O 2.94Å | ||
| 113 | G | 89.4 | Confident | 94.8 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 14% | 0.144 | 28% | 0.283 | C | S | . | . | trans | -170.5 | 162.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D115 V116 R229 | G113-D115 PolarHBondContact O-N 3.36Å; G113-V116 VanDerWaalsContact O-CB 3.26Å; G113-V116 WeakPolarHBondContact O-CB 3.45Å; G113-V116 VanDerWaalsContact O-CG2 3.26Å; G113-V116 WeakPolarHBondContact O-CG2 3.04Å; G113-V116 PolarHBondContact O-N 3.3Å; G113-R229 PolarHBondContact O-NH2 3.33Å | ||
| 114 | Q | 86.1 | Confident | 95.2 | Very high | 187 Ų | 187 | 52 Ų | 52 | 87% | 0.874 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23.7 | -168.4 | -63.9 | -61.3 | -34.5 | 0 | 0 | 114.8 | V116 | Q114-V116 VanDerWaalsContact C-N 3.35Š|
| 115 | D | 91.3 | Very high | 95.5 | Very high | 52 Ų | 52 | 46.8 Ų | 46.8 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -19.5 | 176.3 | 60.9 | -44.9 | 0 | 0 | 0 | 114 | G113 R117 S126 E127 I128 | G113-D115 PolarHBondContact O-N 3.36Å; D115-R117 PolarHBondContact O-N 3.05Å; D115-S126 VanDerWaalsContact CG-OG 3.28Å; D115-S126 VanDerWaalsContact OD1-CB 3.25Å; D115-S126 WeakPolarHBondContact OD1-CB 3.2Å; D115-S126 PolarHBondContact OD1-OG 3.49Å; D115-S126 WeakPolarHBondContact OD2-CA 3.06Å; D115-S126 PolarHBondContact OD2-OG 2.87Å; D115-E127 PolarHBondContact OD2-N 3.31Å; D115-I128 HydrophobicContact CB-CD1 3.83Å; D115-I128 HydrophobicContact CB-CG1 4.01Å; D115-I128 HydrophobicContact CB-CG2 4.49Å; D115-I128 PolarHBondContact OD2-N 3.24Å |
| 116 | V | 92.3 | Very high | 95.5 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | trans | -67.2 | 127.4 | -169.7 | 173.4 | 0 | 0 | 0 | 0 | 112.1 | G113 Q114 H118 A124 S126 R229 | G113-V116 VanDerWaalsContact O-CB 3.26Å; G113-V116 WeakPolarHBondContact O-CB 3.45Å; G113-V116 VanDerWaalsContact O-CG2 3.26Å; G113-V116 WeakPolarHBondContact O-CG2 3.04Å; G113-V116 PolarHBondContact O-N 3.3Å; Q114-V116 VanDerWaalsContact C-N 3.35Å; V116-H118 WeakPolarHBondContact CG1-CE1 3.31Å; V116-H118 WeakPolarHBondContact CG1-ND1 3.48Å; V116-A124 VanDerWaalsContact CG1-C 3.46Å; V116-A124 HydrophobicContact CG1-CB 3.62Å; V116-A124 WeakPolarHBondContact CG1-O 3.42Å; V116-S126 VanDerWaalsContact CG2-CA 3.45Å; V116-R229 PolarHBondContact O-NH1 3.18Å | ||
| 117 | R | 94.1 | Very high | 95.2 | Very high | 219 Ų | 219 | 49 Ų | 49 | 83% | 0.826 | 24% | 0.244 | S | C | * | . | trans | -119.3 | 98.7 | 172.8 | -63.8 | -175.3 | 178.7 | -159.5 | -0.2 | 110.6 | D115 A124 | D115-R117 PolarHBondContact O-N 3.05Å; R117-A124 WeakPolarHBondContact O-CB 3.38Å | ||
| 118 | H | 95.9 | Very high | 94.9 | Very high | 41 Ų | 41 | 53.4 Ų | 53.4 | 19% | 0.19 | 27% | 0.266 | C | S | . | . | trans | -63.3 | 151.4 | 176.6 | -57.7 | -41.2 | 0 | 0 | 0 | 112.1 | V116 A124 T224 | V116-H118 WeakPolarHBondContact CG1-CE1 3.31Å; V116-H118 WeakPolarHBondContact CG1-ND1 3.48Å; H118-A124 PolarHBondContact CE1-O 2.95Å; H118-A124 PolarHBondContact ND1-N 3.46Å; H118-T224 HydrophobicContact CB-CG2 3.9Å | ||
| 119 | G | 95.3 | Very high | 94.5 | Very high | 20 Ų | 20 | 55.5 Ų | 55.5 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | trans | -77.3 | -179.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | H121 V122 T224 | G119-H121 VanDerWaalsContact C-N 3.26Å; G119-H121 PolarHBondContact O-N 3.3Å; G119-V122 PolarHBondContact N-O 2.56Å; G119-T224 WeakPolarHBondContact O-CB 3.15Å; G119-T224 WeakPolarHBondContact O-CG2 3.33Å; G119-T224 PolarHBondContact O-OG1 2.88Å | ||
| 120 | T | 95.8 | Very high | 94 | Very high | 100 Ų | 100 | 61.3 Ų | 61.3 | 61% | 0.613 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -58.7 | -38.9 | 178.6 | -44.1 | 0 | 0 | 0 | 0 | 112.8 | T224 | T120-T224 PolarHBondContact O-N 3.29Å; T120-T224 PolarHBondContact O-OG1 2.91Å |
| 121 | H | 96.9 | Very high | 93.8 | Very high | 88 Ų | 88 | 62.8 Ų | 62.8 | 41% | 0.407 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -130.4 | -6.3 | -175.8 | -54.3 | 101 | 0 | 0 | 0 | 113.4 | G119 H220 V221 S222 | G119-H121 VanDerWaalsContact C-N 3.26Å; G119-H121 PolarHBondContact O-N 3.3Å; H121-H220 WeakPolarHBondContact CB-NE2 3.37Å; H121-H220 CarbonylContact O-C 3.45Å; H121-H220 VanDerWaalsContact O-CA 3.28Å; H121-H220 WeakPolarHBondContact O-CA 3.48Å; H121-V221 PolarHBondContact O-N 3.19Å; H121-S222 PolarHBondContact CD2-O 3.29Å |
| 122 | V | 97.4 | Very high | 93.7 | Very high | 38 Ų | 38 | 65.9 Ų | 65.9 | 23% | 0.23 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -112.4 | 122.8 | -175.9 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | G119 K141 Y218 | G119-V122 PolarHBondContact N-O 2.56Å; V122-K141 HydrophobicContact CG1-CB 4.08Å; V122-K141 HydrophobicContact CG1-CD 4.5Å; V122-Y218 HydrophobicContact CG1-CD2 4.07Å; V122-Y218 HydrophobicContact CG2-CD2 4.38Å; V122-Y218 HydrophobicContact CG2-CE2 4.45Å |
| 123 | M | 97.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | trans | -69.5 | 153.9 | 176.4 | -64.9 | -112 | -60.3 | 0 | 0 | 110.1 | W125 K141 V157 V219 V221 I227 N235 | M123-W125 HydrophobicContact CB-CZ2 3.98Å; M123-W125 HydrophobicContact CE-CH2 3.31Å; M123-W125 HydrophobicContact CE-CZ2 3.72Å; M123-W125 HydrophobicContact CE-CZ3 4.02Å; M123-K141 WeakPolarHBondContact O-CB 3.48Å; M123-V157 HydrophobicContact CE-CB 4.46Å; M123-V157 HydrophobicContact CE-CG1 3.5Å; M123-V157 HydrophobicContact SD-CG1 4.25Å; M123-V219 HydrophobicContact CB-CB 4.14Å; M123-V219 HydrophobicContact CB-CG1 4.32Å; M123-V219 HydrophobicContact CG-CB 4.35Å; M123-V219 HydrophobicContact CG-CG1 3.98Å; M123-V219 PolarHBondContact N-O 3.18Å; M123-V221 HydrophobicContact CG-CG1 4.04Å; M123-V221 HydrophobicContact CG-CG2 4.2Å; M123-V221 HydrophobicContact SD-CG1 4.38Å; M123-I227 HydrophobicContact SD-CB 4.46Å; M123-I227 HydrophobicContact SD-CD1 3.74Å; M123-I227 HydrophobicContact SD-CG1 3.69Å; M123-I227 HydrophobicContact SD-CG2 4.05Å; M123-N235 HydrophobicContact CE-CB 4.32Å | ||
| 124 | A | 97.5 | Very high | 94.1 | Very high | 5 Ų | 5 | 71 Ų | 71 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | trans | -126.3 | 159.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 107 | V116 R117 H118 K141 | V116-A124 VanDerWaalsContact CG1-C 3.46Å; V116-A124 HydrophobicContact CG1-CB 3.62Å; V116-A124 WeakPolarHBondContact CG1-O 3.42Å; R117-A124 WeakPolarHBondContact O-CB 3.38Å; H118-A124 PolarHBondContact CE1-O 2.95Å; H118-A124 PolarHBondContact ND1-N 3.46Å; A124-K141 HydrophobicContact CB-CD 3.84Å; A124-K141 HydrophobicContact CB-CG 3.6Å | ||
| 125 | W | 97.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.015 | 33% | 0.332 | C | S | . | . | trans | -132.1 | 153.5 | -174.3 | -49.4 | 95.5 | 0 | 0 | 0 | 110.6 | L110 M123 Y138 V219 N235 V236 F237 | L110-W125 HydrophobicContact CB-CB 3.71Å; L110-W125 HydrophobicContact CB-CD2 3.97Å; L110-W125 HydrophobicContact CB-CE3 4.2Å; L110-W125 HydrophobicContact CB-CG 3.72Å; L110-W125 HydrophobicContact CD1-CB 4.09Å; L110-W125 HydrophobicContact CD1-CG 3.89Å; L110-W125 HydrophobicContact CG-CB 4.37Å; L110-W125 HydrophobicContact CG-CG 4.42Å; M123-W125 HydrophobicContact CB-CZ2 3.98Å; M123-W125 HydrophobicContact CE-CH2 3.31Å; M123-W125 HydrophobicContact CE-CZ2 3.72Å; M123-W125 HydrophobicContact CE-CZ3 4.02Å; W125-Y138 HydrophobicContact CB-CE1 4.41Å; W125-Y138 HydrophobicContact CB-CE2 4.26Å; W125-Y138 AromaticContact CD1-CE2 3.63Å; W125-Y138 AromaticContact CD1-CZ 3.95Å; W125-Y138 HydrophobicContact CG-CE2 4.34Å; W125-Y138 PolarHBondContact N-OH 2.96Å; W125-Y138 PolarHBondContact O-OH 3.19Å; W125-V219 HydrophobicContact CZ2-CB 3.93Å; W125-V219 HydrophobicContact CZ2-CG1 4.49Å; W125-V219 HydrophobicContact CZ2-CG2 3.69Å; W125-N235 HydrophobicContact CZ3-CB 4.36Å; W125-V236 VanDerWaalsContact CZ3-C 3.49Å; W125-F237 HydrophobicContact CD2-CB 3.94Å; W125-F237 VanDerWaalsContact CE2-CB 3.41Å; W125-F237 AromaticContact CE2-CD1 3.82Å; W125-F237 AromaticContact CE2-CG 3.99Å; W125-F237 HydrophobicContact CE3-CB 4.16Å; W125-F237 HydrophobicContact CH2-CB 3.39Å; W125-F237 HydrophobicContact CZ2-CB 3.15Å; W125-F237 HydrophobicContact CZ2-CD1 4.18Å; W125-F237 AromaticContact CZ2-CG 3.9Å; W125-F237 HydrophobicContact CZ2-CG 3.9Å; W125-F237 HydrophobicContact CZ3-CB 3.91Å; W125-F237 AromaticContact NE1-CD1 3.47Å | ||
| 126 | S | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | -74.1 | 133.1 | -171.6 | -174.8 | 0 | 0 | 0 | 0 | 110.7 | T111 D115 V116 I128 A129 | T111-S126 WeakPolarHBondContact O-CB 3.22Å; T111-S126 PolarHBondContact O-N 2.9Å; D115-S126 VanDerWaalsContact CG-OG 3.28Å; D115-S126 VanDerWaalsContact OD1-CB 3.25Å; D115-S126 WeakPolarHBondContact OD1-CB 3.2Å; D115-S126 PolarHBondContact OD1-OG 3.49Å; D115-S126 WeakPolarHBondContact OD2-CA 3.06Å; D115-S126 PolarHBondContact OD2-OG 2.87Å; V116-S126 VanDerWaalsContact CG2-CA 3.45Å; S126-I128 PolarHBondContact OG-N 2.93Å; S126-A129 WeakPolarHBondContact OG-CB 3.27Å; S126-A129 PolarHBondContact OG-N 3Å | ||
| 127 | E | 92.6 | Very high | 95.1 | Very high | 135 Ų | 135 | 66.5 Ų | 66.5 | 63% | 0.631 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -94.5 | -20.9 | 172.9 | -67.4 | 177.5 | -135.5 | 0 | 0 | 111 | D115 Y138 | D115-E127 PolarHBondContact OD2-N 3.31Å; E127-Y138 HydrophobicContact CG-CD1 3.91Å; E127-Y138 HydrophobicContact CG-CE1 3.8Å |
| 128 | I | 92.6 | Very high | 95.3 | Very high | 121 Ų | 121 | 57.4 Ų | 57.4 | 62% | 0.621 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -93.8 | -11.9 | 179.6 | 72.4 | 174.4 | 0 | 0 | 0 | 113.7 | D115 S126 E130 | D115-I128 HydrophobicContact CB-CD1 3.83Å; D115-I128 HydrophobicContact CB-CG1 4.01Å; D115-I128 HydrophobicContact CB-CG2 4.49Å; D115-I128 PolarHBondContact OD2-N 3.24Å; S126-I128 PolarHBondContact OG-N 2.93Å; I128-E130 PolarHBondContact O-N 3.45Å |
| 129 | A | 89.2 | Confident | 95.3 | Very high | 43 Ų | 43 | 60.7 Ų | 60.7 | 36% | 0.355 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -81.6 | 23 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S126 | S126-A129 WeakPolarHBondContact OG-CB 3.27Å; S126-A129 PolarHBondContact OG-N 3Å |
| 130 | E | 88.2 | Confident | 95.3 | Very high | 183 Ų | 183 | 65 Ų | 65 | 86% | 0.855 | 33% | 0.333 | S | S | * | . | trans | 48.8 | 59.6 | -178.6 | -62.8 | 175.7 | -177.4 | 0 | 0 | 112.1 | I128 L132 | I128-E130 PolarHBondContact O-N 3.45Å; E130-L132 PolarHBondContact O-N 3.31Å | ||
| 131 | P | 92.8 | Very high | 95.3 | Very high | 30 Ų | 30 | 63.1 Ų | 63.1 | 20% | 0.195 | 32% | 0.316 | C | S | . | . | trans | -59.1 | 137.8 | -179 | 25.6 | -33.9 | 0 | 0 | 0 | 110.5 | L110 L133 | L110-P131 HydrophobicContact CD2-CB 3.55Å; L110-P131 HydrophobicContact CD2-CG 4.43Å; P131-L133 HydrophobicContact CB-CD1 4.36Å; P131-L133 HydrophobicContact CB-CG 4.3Å; P131-L133 HydrophobicContact CG-CD1 4.04Å; P131-L133 HydrophobicContact CG-CG 4.45Å; P131-L133 PolarHBondContact O-N 2.92Å; P131-L133 VanDerWaalsContact O-N 3.09Å | ||
| 132 | L | 95.3 | Very high | 95.4 | Very high | 86 Ų | 86 | 60.9 Ų | 60.9 | 45% | 0.45 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 114.1 | 167.8 | 175.8 | 62.3 | 0 | 0 | 0 | 107 | V107 A108 H109 E130 | V107-L132 HydrophobicContact CG1-CD1 4.39Å; V107-L132 HydrophobicContact CG1-CD2 4.16Å; V107-L132 HydrophobicContact CG1-CG 4.27Å; V107-L132 HydrophobicContact CG2-CD2 3.76Å; V107-L132 HydrophobicContact CG2-CG 4.42Å; A108-L132 CarbonylContact C-O 3.56Å; A108-L132 WeakPolarHBondContact CA-O 3.36Å; H109-L132 HydrophobicContact CB-CB 4.02Å; H109-L132 HydrophobicContact CB-CD2 4.41Å; H109-L132 PolarHBondContact N-O 2.86Å; H109-L132 PolarHBondContact O-N 2.87Å; H109-L132 VanDerWaalsContact O-N 3.15Å; E130-L132 PolarHBondContact O-N 3.31Å |
| 133 | L | 96.1 | Very high | 95.4 | Very high | 64 Ų | 64 | 59.1 Ų | 59.1 | 34% | 0.335 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 115.5 | 174.9 | -74.9 | 172.2 | 0 | 0 | 0 | 108.5 | A108 L110 P131 L143 | A108-L133 HydrophobicContact CB-CD2 3.81Å; L110-L133 HydrophobicContact CD2-CD1 4.47Å; L110-L133 HydrophobicContact CD2-CD2 4.02Å; L110-L133 HydrophobicContact CD2-CG 4.26Å; P131-L133 HydrophobicContact CB-CD1 4.36Å; P131-L133 HydrophobicContact CB-CG 4.3Å; P131-L133 HydrophobicContact CG-CD1 4.04Å; P131-L133 HydrophobicContact CG-CG 4.45Å; P131-L133 PolarHBondContact O-N 2.92Å; P131-L133 VanDerWaalsContact O-N 3.09Å; L133-L143 HydrophobicContact CD2-CD1 3.71Å |
| 134 | Y | 96.8 | Very high | 95.5 | Very high | 65 Ų | 65 | 60.1 Ų | 60.1 | 26% | 0.255 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 123.7 | 176.9 | -177 | -97.9 | 0 | 0 | 0 | 109.6 | P102 P103 K105 P106 V107 M136 | P102-Y134 HydrophobicContact CB-CD2 4.32Å; P102-Y134 HydrophobicContact CB-CE2 3.53Å; P103-Y134 HydrophobicContact CB-CD1 3.74Å; P103-Y134 HydrophobicContact CB-CE1 4.12Å; P103-Y134 HydrophobicContact CB-CG 4.13Å; P103-Y134 HydrophobicContact CG-CD1 4.01Å; P103-Y134 HydrophobicContact CG-CD2 4.38Å; P103-Y134 HydrophobicContact CG-CG 3.86Å; P103-Y134 WeakPolarHBondContact O-CE1 3.45Å; P103-Y134 PolarHBondContact O-OH 3.02Å; K105-Y134 WeakPolarHBondContact O-CD1 3.36Å; P106-Y134 VanDerWaalsContact CA-O 3.29Å; P106-Y134 WeakPolarHBondContact CA-O 3.11Å; V107-Y134 PolarHBondContact N-O 2.95Å; V107-Y134 PolarHBondContact O-N 3.49Å; Y134-M136 PolarHBondContact O-N 2.93Å |
| 135 | E | 96.7 | Very high | 95.5 | Very high | 86 Ų | 86 | 59.9 Ų | 59.9 | 40% | 0.402 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 49.4 | 29.6 | -173.7 | -62.6 | -173 | 162.7 | 0 | 0 | 113.9 | P106 Q146 | P106-E135 HydrophobicContact CB-CB 4Å; P106-E135 WeakPolarHBondContact CD-OE2 3.43Å; P106-E135 HydrophobicContact CG-CB 3.87Å; P106-E135 WeakPolarHBondContact CG-OE2 3.3Å; E135-Q146 WeakPolarHBondContact O-CB 3.44Å |
| 136 | M | 97.1 | Very high | 95.5 | Very high | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 142.3 | 171.3 | -69.4 | -166.2 | -78.7 | 0 | 0 | 109 | P106 A108 Y134 L143 I145 Y151 A239 | P106-M136 HydrophobicContact CB-CE 4.42Å; P106-M136 HydrophobicContact CB-CG 4.04Å; A108-M136 HydrophobicContact CB-CE 3.35Å; A108-M136 HydrophobicContact CB-SD 4.4Å; Y134-M136 PolarHBondContact O-N 2.93Å; M136-L143 HydrophobicContact CB-CD1 3.94Å; M136-L143 HydrophobicContact CB-CG 4.36Å; M136-L143 HydrophobicContact CE-CD2 4.18Å; M136-L143 HydrophobicContact SD-CD1 4.48Å; M136-L143 HydrophobicContact SD-CD2 3.73Å; M136-L143 HydrophobicContact SD-CG 4.11Å; M136-I145 HydrophobicContact SD-CD1 3.78Å; M136-Y151 HydrophobicContact CE-CE1 4.45Å; M136-Y151 HydrophobicContact SD-CD1 4.26Å; M136-Y151 HydrophobicContact SD-CE1 3.75Å; M136-A239 HydrophobicContact CE-CB 4.32Å; M136-A239 VanDerWaalsContact CE-O 3.31Å; M136-A239 WeakPolarHBondContact CE-O 3.45Å; M136-A239 HydrophobicContact SD-CB 4.44Å |
| 137 | N | 97.5 | Very high | 95.6 | Very high | 63 Ų | 63 | 66.9 Ų | 66.9 | 34% | 0.337 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 151.8 | 179.3 | -67.7 | 7.8 | 0 | 0 | 0 | 110.2 | E139 L143 V144 | N137-E139 HydrophobicContact CB-CG 4.43Å; N137-E139 PolarHBondContact ND2-OE1 3.33Å; N137-E139 VanDerWaalsContact ND2-OE1 3.09Å; N137-L143 CarbonylContact O-C 3.53Å; N137-L143 WeakPolarHBondContact O-CA 3.46Å; N137-V144 HydrophobicContact CB-CB 4.28Å; N137-V144 PolarHBondContact N-O 3.45Å; N137-V144 VanDerWaalsContact N-O 3.11Å; N137-V144 PolarHBondContact O-N 2.85Å |
| 138 | Y | 97.6 | Very high | 95.9 | Very high | 28 Ų | 28 | 66 Ų | 66 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 113.5 | 169.9 | 175.6 | -112.4 | 0 | 0 | 0 | 109.4 | L110 W125 E127 K141 K142 | L110-Y138 HydrophobicContact CD1-CD2 3.63Å; L110-Y138 HydrophobicContact CD1-CE2 4Å; L110-Y138 HydrophobicContact CD1-CG 4.18Å; W125-Y138 HydrophobicContact CB-CE1 4.41Å; W125-Y138 HydrophobicContact CB-CE2 4.26Å; W125-Y138 AromaticContact CD1-CE2 3.63Å; W125-Y138 AromaticContact CD1-CZ 3.95Å; W125-Y138 HydrophobicContact CG-CE2 4.34Å; W125-Y138 PolarHBondContact N-OH 2.96Å; W125-Y138 PolarHBondContact O-OH 3.19Å; E127-Y138 HydrophobicContact CG-CD1 3.91Å; E127-Y138 HydrophobicContact CG-CE1 3.8Å; Y138-K141 WeakPolarHBondContact OH-CA 3.38Å; Y138-K142 WeakPolarHBondContact CA-O 3.22Å; Y138-K142 WeakPolarHBondContact CD2-O 3.36Å |
| 139 | E | 95.6 | Very high | 96.2 | Very high | 110 Ų | 110 | 60.7 Ų | 60.7 | 51% | 0.514 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 135.3 | -174 | -65.5 | 173.3 | -150.3 | 0 | 0 | 109.3 | N137 K141 K142 | N137-E139 HydrophobicContact CB-CG 4.43Å; N137-E139 PolarHBondContact ND2-OE1 3.33Å; N137-E139 VanDerWaalsContact ND2-OE1 3.09Å; E139-K141 VanDerWaalsContact C-N 3.29Å; E139-K141 PolarHBondContact O-N 2.91Å; E139-K142 PolarHBondContact N-O 2.94Å; E139-K142 WeakPolarHBondContact O-CB 3.35Å; E139-K142 PolarHBondContact O-N 3.49Å |
| 140 | D | 94.9 | Very high | 96.6 | Very high | 111 Ų | 111 | 65.1 Ų | 65.1 | 59% | 0.594 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | 51 | 179.6 | -175.8 | 38.3 | 0 | 0 | 0 | 113.4 | K142 | D140-K142 WeakPolarHBondContact O-CG 3.38Å; D140-K142 PolarHBondContact O-N 3.38Å; D140-K142 VanDerWaalsContact O-N 3.17Å; D140-K142 IonicContact OD2-NZ 3.56Å |
| 141 | K | 97.2 | Very high | 97.1 | Very high | 60 Ų | 60 | 56.4 Ų | 56.4 | 26% | 0.261 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 14.5 | 177.2 | -62.2 | 164.9 | -87.6 | -161.5 | 0 | 114.9 | V122 M123 A124 Y138 E139 | V122-K141 HydrophobicContact CG1-CB 4.08Å; V122-K141 HydrophobicContact CG1-CD 4.5Å; M123-K141 WeakPolarHBondContact O-CB 3.48Å; A124-K141 HydrophobicContact CB-CD 3.84Å; A124-K141 HydrophobicContact CB-CG 3.6Å; Y138-K141 WeakPolarHBondContact OH-CA 3.38Å; E139-K141 VanDerWaalsContact C-N 3.29Å; E139-K141 PolarHBondContact O-N 2.91Å |
| 142 | K | 97.6 | Very high | 97.4 | Very high | 41 Ų | 41 | 58.6 Ų | 58.6 | 18% | 0.178 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 142.8 | -177.8 | -61.5 | 156.9 | -170.7 | 172.9 | 0 | 110.5 | Y138 E139 D140 A216 V217 Y218 | Y138-K142 WeakPolarHBondContact CA-O 3.22Å; Y138-K142 WeakPolarHBondContact CD2-O 3.36Å; E139-K142 PolarHBondContact N-O 2.94Å; E139-K142 WeakPolarHBondContact O-CB 3.35Å; E139-K142 PolarHBondContact O-N 3.49Å; D140-K142 WeakPolarHBondContact O-CG 3.38Å; D140-K142 PolarHBondContact O-N 3.38Å; D140-K142 VanDerWaalsContact O-N 3.17Å; D140-K142 IonicContact OD2-NZ 3.56Å; K142-A216 HydrophobicContact CB-CB 4.05Å; K142-A216 HydrophobicContact CD-CB 4.16Å; K142-A216 HydrophobicContact CG-CB 4.46Å; K142-V217 WeakPolarHBondContact CA-O 3.12Å; K142-Y218 HydrophobicContact CG-CD1 3.98Å; K142-Y218 HydrophobicContact CG-CG 4.2Å |
| 143 | L | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 118.3 | 167.2 | -172.8 | 74.2 | 0 | 0 | 0 | 108.4 | A108 L110 L133 M136 N137 A216 V217 F237 A239 | A108-L143 HydrophobicContact CB-CD1 3.5Å; A108-L143 VanDerWaalsContact CB-CD1 3.5Å; A108-L143 HydrophobicContact CB-CD2 3.68Å; A108-L143 HydrophobicContact CB-CG 4.24Å; L110-L143 HydrophobicContact CD1-CD1 4.43Å; L133-L143 HydrophobicContact CD2-CD1 3.71Å; M136-L143 HydrophobicContact CB-CD1 3.94Å; M136-L143 HydrophobicContact CB-CG 4.36Å; M136-L143 HydrophobicContact CE-CD2 4.18Å; M136-L143 HydrophobicContact SD-CD1 4.48Å; M136-L143 HydrophobicContact SD-CD2 3.73Å; M136-L143 HydrophobicContact SD-CG 4.11Å; N137-L143 CarbonylContact O-C 3.53Å; N137-L143 WeakPolarHBondContact O-CA 3.46Å; L143-A216 CarbonylContact O-C 3.58Å; L143-A216 WeakPolarHBondContact O-CA 3.16Å; L143-V217 HydrophobicContact CB-CG2 3.97Å; L143-V217 HydrophobicContact CD2-CG2 4.29Å; L143-V217 PolarHBondContact N-O 3.01Å; L143-V217 PolarHBondContact O-N 2.93Å; L143-F237 HydrophobicContact CB-CE1 3.96Å; L143-F237 HydrophobicContact CB-CZ 4.44Å; L143-A239 HydrophobicContact CD2-CB 3.84Å |
| 144 | V | 98.4 | Very high | 97.7 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 121.6 | -175.4 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | N137 Q146 A216 | N137-V144 HydrophobicContact CB-CB 4.28Å; N137-V144 PolarHBondContact N-O 3.45Å; N137-V144 VanDerWaalsContact N-O 3.11Å; N137-V144 PolarHBondContact O-N 2.85Å; V144-Q146 PolarHBondContact O-N 2.96Å; V144-Q146 PolarHBondContact O-NE2 2.84Å; V144-A216 HydrophobicContact CG2-CB 4.3Å |
| 145 | I | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 121.1 | -176.8 | -58.8 | -56.6 | 0 | 0 | 0 | 110.4 | M136 K147 Y151 L211 N214 D215 | M136-I145 HydrophobicContact SD-CD1 3.78Å; I145-K147 WeakPolarHBondContact CG2-O 3.29Å; I145-Y151 HydrophobicContact CD1-CD1 4.22Å; I145-Y151 HydrophobicContact CD1-CE1 4.05Å; I145-Y151 HydrophobicContact CD1-CE2 4.39Å; I145-Y151 HydrophobicContact CD1-CG 4.45Å; I145-Y151 HydrophobicContact CG2-CE2 3.83Å; I145-L211 HydrophobicContact CD1-CD1 3.58Å; I145-L211 HydrophobicContact CG1-CB 3.9Å; I145-L211 HydrophobicContact CG1-CD1 3.6Å; I145-L211 HydrophobicContact CG1-CG 4.39Å; I145-L211 HydrophobicContact CG2-CB 4.24Å; I145-N214 PolarHBondContact O-N 2.87Å; I145-D215 WeakPolarHBondContact CB-O 3.32Å; I145-D215 WeakPolarHBondContact CG1-O 3.36Å; I145-D215 PolarHBondContact N-O 3.38Å |
| 146 | Q | 98 | Very high | 97.9 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 28% | 0.276 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -93.4 | -23.3 | 178.6 | -55.9 | -58.7 | -47.2 | 0 | 0 | 112.9 | E135 V144 Q213 | E135-Q146 WeakPolarHBondContact O-CB 3.44Å; V144-Q146 PolarHBondContact O-N 2.96Å; V144-Q146 PolarHBondContact O-NE2 2.84Å; Q146-Q213 WeakPolarHBondContact O-CG 3.44Å; Q146-Q213 PolarHBondContact O-NE2 2.9Å |
| 147 | K | 97.9 | Very high | 97.9 | Very high | 93 Ų | 93 | 48.9 Ų | 48.9 | 40% | 0.404 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -126 | 129.7 | -177.8 | -174.7 | 174.3 | -176.7 | 173.4 | 0 | 109.8 | P106 I145 Y151 M241 | P106-K147 HydrophobicContact CG-CB 4.03Å; P106-K147 HydrophobicContact CG-CD 3.94Å; I145-K147 WeakPolarHBondContact CG2-O 3.29Å; K147-Y151 WeakPolarHBondContact O-CE2 3.48Å; K147-Y151 PolarHBondContact O-OH 2.91Å; K147-M241 HydrophobicContact CD-CE 4.18Å; K147-M241 HydrophobicContact CD-SD 3.9Å; K147-M241 HydrophobicContact CG-CE 4.11Å; K147-M241 HydrophobicContact CG-SD 4.34Å |
| 148 | E | 98.1 | Very high | 97.9 | Very high | 116 Ų | 116 | 48.4 Ų | 48.4 | 54% | 0.542 | 22% | 0.218 | S | C | . | . | trans | -73.9 | 145.6 | 179.1 | 68.1 | -179.7 | 150.5 | 0 | 0 | 112.2 | Y210 L211 M241 | E148-Y210 PolarHBondContact OE2-OH 2.96Å; E148-L211 WeakPolarHBondContact CA-O 3.41Å; E148-M241 WeakPolarHBondContact O-CE 3.21Å | ||
| 149 | G | 98.3 | Very high | 97.7 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.3 | -164.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y151 Y210 L211 | G149-Y151 WeakPolarHBondContact O-CD2 3.48Å; G149-Y210 WeakPolarHBondContact O-CA 3.23Å; G149-L211 PolarHBondContact N-O 2.82Å; G149-L211 PolarHBondContact O-N 3.05Å |
| 150 | Y | 98.7 | Very high | 97.6 | Very high | 135 Ų | 135 | 42.9 Ų | 42.9 | 53% | 0.529 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 131.9 | 176 | -70 | -83.1 | 0 | 0 | 0 | 110.7 | V208 F209 Y210 M241 I242 | Y150-V208 HydrophobicContact CD1-CG1 4.13Å; Y150-F209 WeakPolarHBondContact CA-O 3.3Å; Y150-Y210 HydrophobicContact CD1-CD2 4.46Å; Y150-Y210 HydrophobicContact CD2-CD2 4.25Å; Y150-Y210 HydrophobicContact CE1-CD2 4.23Å; Y150-Y210 HydrophobicContact CE2-CD2 4Å; Y150-Y210 HydrophobicContact CG-CD2 4.47Å; Y150-Y210 AromaticContact CZ-CD2 3.99Å; Y150-M241 WeakPolarHBondContact O-CA 3.42Å; Y150-I242 VanDerWaalsContact CB-CG1 3.45Å; Y150-I242 HydrophobicContact CG-CD1 4.48Å; Y150-I242 WeakPolarHBondContact O-CG1 3.49Å; Y150-I242 PolarHBondContact O-N 3.48Å |
| 151 | Y | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 130 | 180 | -75.9 | -98.1 | 0 | 0 | 0 | 109.9 | P106 M136 I145 K147 G149 V208 F209 L211 A239 F240 M241 | P106-Y151 HydrophobicContact CB-CE1 3.94Å; P106-Y151 WeakPolarHBondContact CG-OH 3.14Å; M136-Y151 HydrophobicContact CE-CE1 4.45Å; M136-Y151 HydrophobicContact SD-CD1 4.26Å; M136-Y151 HydrophobicContact SD-CE1 3.75Å; I145-Y151 HydrophobicContact CD1-CD1 4.22Å; I145-Y151 HydrophobicContact CD1-CE1 4.05Å; I145-Y151 HydrophobicContact CD1-CE2 4.39Å; I145-Y151 HydrophobicContact CD1-CG 4.45Å; I145-Y151 HydrophobicContact CG2-CE2 3.83Å; K147-Y151 WeakPolarHBondContact O-CE2 3.48Å; K147-Y151 PolarHBondContact O-OH 2.91Å; G149-Y151 WeakPolarHBondContact O-CD2 3.48Å; Y151-V208 CarbonylContact O-C 3.58Å; Y151-V208 VanDerWaalsContact O-CA 3.27Å; Y151-V208 WeakPolarHBondContact O-CA 3.43Å; Y151-F209 PolarHBondContact N-O 2.65Å; Y151-F209 PolarHBondContact O-N 2.8Å; Y151-L211 HydrophobicContact CD2-CB 3.99Å; Y151-L211 HydrophobicContact CD2-CD1 3.97Å; Y151-L211 HydrophobicContact CD2-CG 4.18Å; Y151-L211 HydrophobicContact CE2-CB 4.44Å; Y151-L211 HydrophobicContact CG-CD1 3.96Å; Y151-A239 HydrophobicContact CD1-CB 4.31Å; Y151-F240 CarbonylContact C-O 3.49Å; Y151-F240 WeakPolarHBondContact CA-O 3.45Å; Y151-M241 HydrophobicContact CD1-CB 4.23Å; Y151-M241 HydrophobicContact CE1-CB 3.84Å; Y151-M241 HydrophobicContact CE1-CG 4.46Å; Y151-M241 HydrophobicContact CE2-CG 4.34Å |
| 152 | Y | 98.8 | Very high | 96.3 | Very high | 76 Ų | 76 | 38.9 Ų | 38.9 | 30% | 0.298 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 115.7 | 161 | -178.7 | -88.6 | 0 | 0 | 0 | 107.8 | Y154 A206 V208 A239 F240 | Y152-Y154 AromaticContact CD1-CD1 3.94Å; Y152-Y154 HydrophobicContact CD1-CD1 3.94Å; Y152-Y154 AromaticContact CE1-CD1 3.83Å; Y152-Y154 HydrophobicContact CE1-CD1 3.83Å; Y152-Y154 HydrophobicContact CE1-CG 4.28Å; Y152-A206 HydrophobicContact CE1-CB 4.12Å; Y152-A206 HydrophobicContact CE2-CB 4.12Å; Y152-A206 WeakPolarHBondContact OH-CB 3.43Å; Y152-V208 HydrophobicContact CD2-CG2 3.91Å; Y152-A239 CarbonylContact O-C 3.59Å; Y152-A239 WeakPolarHBondContact O-CA 3.13Å; Y152-F240 HydrophobicContact CD1-CD1 4.08Å; Y152-F240 AromaticContact CD1-CE1 3.27Å; Y152-F240 HydrophobicContact CD1-CE1 3.27Å; Y152-F240 AromaticContact CD1-CZ 3.6Å; Y152-F240 HydrophobicContact CD1-CZ 3.6Å; Y152-F240 HydrophobicContact CE1-CE1 4.03Å; Y152-F240 HydrophobicContact CE1-CZ 4.41Å; Y152-F240 AromaticContact CG-CE1 3.84Å; Y152-F240 HydrophobicContact CG-CE1 3.84Å; Y152-F240 HydrophobicContact CG-CE2 4.41Å; Y152-F240 AromaticContact CG-CZ 3.69Å; Y152-F240 HydrophobicContact CG-CZ 3.69Å; Y152-F240 PolarHBondContact N-O 3.17Å; Y152-F240 PolarHBondContact O-N 3.38Å |
| 153 | I | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 140.1 | -179.8 | -49.3 | 172.9 | 0 | 0 | 0 | 108.2 | V169 L183 A206 G207 F209 L211 V217 F237 A239 | I153-V169 HydrophobicContact CG2-CG1 3.96Å; I153-L183 HydrophobicContact CD1-CD1 3.87Å; I153-A206 CarbonylContact O-C 3.5Å; I153-A206 WeakPolarHBondContact O-CA 3.39Å; I153-A206 WeakPolarHBondContact O-CB 3.3Å; I153-G207 PolarHBondContact N-O 2.74Å; I153-G207 PolarHBondContact O-N 2.95Å; I153-F209 HydrophobicContact CD1-CB 4.34Å; I153-F209 HydrophobicContact CD1-CD2 3.8Å; I153-F209 HydrophobicContact CD1-CG 4.43Å; I153-F209 HydrophobicContact CG1-CD2 4.34Å; I153-L211 HydrophobicContact CD1-CD1 3.91Å; I153-V217 HydrophobicContact CD1-CG1 4.13Å; I153-F237 HydrophobicContact CG2-CE2 3.76Å; I153-A239 HydrophobicContact CG1-CB 4.24Å |
| 154 | Y | 98.8 | Very high | 95.3 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 151.1 | 175.5 | 62.3 | -84.2 | 0 | 0 | 0 | 112.3 | H109 Y152 F204 L205 V236 F237 G238 F240 | H109-Y154 AromaticContact ND1-CE2 3.82Å; H109-Y154 AromaticContact ND1-CZ 3.75Å; H109-Y154 PolarHBondContact ND1-OH 2.75Å; Y152-Y154 AromaticContact CD1-CD1 3.94Å; Y152-Y154 HydrophobicContact CD1-CD1 3.94Å; Y152-Y154 AromaticContact CE1-CD1 3.83Å; Y152-Y154 HydrophobicContact CE1-CD1 3.83Å; Y152-Y154 HydrophobicContact CE1-CG 4.28Å; Y154-F204 HydrophobicContact CD2-CE2 4.39Å; Y154-L205 CarbonylContact C-O 3.58Å; Y154-L205 WeakPolarHBondContact CA-O 3.4Å; Y154-V236 HydrophobicContact CE2-CG2 4.37Å; Y154-F237 WeakPolarHBondContact O-CA 3.26Å; Y154-F237 VanDerWaalsContact O-CD2 3.26Å; Y154-F237 WeakPolarHBondContact O-CD2 3.34Å; Y154-G238 WeakPolarHBondContact CD1-O 3.19Å; Y154-G238 VanDerWaalsContact CE1-C 3.48Å; Y154-G238 PolarHBondContact N-O 2.92Å; Y154-G238 PolarHBondContact O-N 2.97Å; Y154-F240 HydrophobicContact CE1-CD1 4.45Å |
| 155 | S | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 136.8 | 175.7 | 177.1 | 0 | 0 | 0 | 0 | 109.9 | H167 F204 L205 V219 V236 | S155-H167 WeakPolarHBondContact CB-NE2 3.31Å; S155-H167 PolarHBondContact O-CE1 2.74Å; S155-H167 PolarHBondContact OG-CE1 2.95Å; S155-H167 PolarHBondContact OG-NE2 3.26Å; S155-F204 CarbonylContact O-C 3.47Å; S155-F204 WeakPolarHBondContact O-CA 3.49Å; S155-L205 PolarHBondContact N-O 2.77Å; S155-L205 PolarHBondContact O-N 3.19Å; S155-V219 WeakPolarHBondContact OG-CG2 3.36Å; S155-V236 CarbonylContact C-O 3.58Å; S155-V236 WeakPolarHBondContact CA-O 3.36Å |
| 156 | K | 98.4 | Very high | 95.1 | Very high | 64 Ų | 64 | 42.9 Ų | 42.9 | 28% | 0.278 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.6 | 169.5 | -170 | -174.9 | 164.8 | -169.4 | 0 | 108.6 | S203 F204 E234 N235 V236 | K156-S203 CarbonylContact C-O 3.59Å; K156-S203 VanDerWaalsContact CA-O 3.31Å; K156-S203 WeakPolarHBondContact CA-O 3.09Å; K156-F204 HydrophobicContact CB-CD2 3.93Å; K156-F204 HydrophobicContact CG-CD2 4.33Å; K156-E234 WeakPolarHBondContact CE-O 3.43Å; K156-N235 CarbonylContact O-C 3.52Å; K156-N235 VanDerWaalsContact O-CA 3.3Å; K156-N235 WeakPolarHBondContact O-CA 3.29Å; K156-V236 HydrophobicContact CB-CG2 3.72Å; K156-V236 PolarHBondContact N-O 2.87Å; K156-V236 PolarHBondContact O-N 3.02Å |
| 157 | V | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 140.8 | 173.2 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | M123 F159 F165 H167 N202 S203 V219 V221 I227 N235 | M123-V157 HydrophobicContact CE-CB 4.46Å; M123-V157 HydrophobicContact CE-CG1 3.5Å; M123-V157 HydrophobicContact SD-CG1 4.25Å; V157-F159 HydrophobicContact CG2-CD1 4.15Å; V157-F159 HydrophobicContact CG2-CE1 4.49Å; V157-F165 HydrophobicContact CG2-CE1 3.86Å; V157-F165 HydrophobicContact CG2-CZ 3.99Å; V157-H167 HydrophobicContact CG2-CB 3.99Å; V157-N202 CarbonylContact O-C 3.58Å; V157-N202 WeakPolarHBondContact O-CA 3.4Å; V157-N202 WeakPolarHBondContact O-CB 3.33Å; V157-S203 PolarHBondContact N-O 2.84Å; V157-S203 PolarHBondContact O-N 2.78Å; V157-V219 HydrophobicContact CG1-CG1 4.26Å; V157-V221 HydrophobicContact CG1-CG1 4.47Å; V157-I227 HydrophobicContact CB-CD1 4.34Å; V157-N235 WeakPolarHBondContact CA-OD1 3.17Å |
| 158 | Y | 96.3 | Very high | 95.1 | Very high | 53 Ų | 53 | 35.8 Ų | 35.8 | 21% | 0.208 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.6 | 176.3 | -176.7 | -129.2 | 0 | 0 | 0 | 109.2 | Y200 S201 N202 M228 E234 N235 | Y158-Y200 HydrophobicContact CE2-CG 4.41Å; Y158-Y200 AromaticContact CZ-CG 3.93Å; Y158-Y200 WeakPolarHBondContact OH-CB 3.26Å; Y158-Y200 VanDerWaalsContact OH-CG 3.27Å; Y158-S201 WeakPolarHBondContact CD2-O 3.31Å; Y158-N202 HydrophobicContact CD2-CB 4.25Å; Y158-M228 HydrophobicContact CD1-CB 3.43Å; Y158-M228 VanDerWaalsContact CD1-CB 3.43Å; Y158-M228 HydrophobicContact CD1-CG 4.39Å; Y158-M228 HydrophobicContact CE1-CB 3.7Å; Y158-M228 HydrophobicContact CE1-CG 4.34Å; Y158-M228 HydrophobicContact CG-CB 4.22Å; Y158-M228 PolarHBondContact O-N 2.95Å; Y158-E234 HydrophobicContact CD1-CB 4.27Å; Y158-E234 HydrophobicContact CD1-CG 4.49Å; Y158-E234 HydrophobicContact CG-CB 4.41Å; Y158-N235 PolarHBondContact N-OD1 2.98Å |
| 159 | F | 94.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 160 | -167.7 | 62 | -84.4 | 0 | 0 | 0 | 113.3 | V157 L161 F165 E188 Y200 S201 Q226 I227 | V157-F159 HydrophobicContact CG2-CD1 4.15Å; V157-F159 HydrophobicContact CG2-CE1 4.49Å; F159-L161 HydrophobicContact CE2-CD2 3.81Å; F159-F165 HydrophobicContact CB-CD2 4.35Å; F159-F165 HydrophobicContact CB-CE1 4.35Å; F159-F165 HydrophobicContact CB-CE2 3.89Å; F159-F165 HydrophobicContact CB-CZ 3.89Å; F159-F165 AromaticContact CD1-CD1 3.76Å; F159-F165 HydrophobicContact CD1-CD1 3.76Å; F159-F165 AromaticContact CD1-CE1 3.34Å; F159-F165 HydrophobicContact CD1-CE1 3.34Å; F159-F165 HydrophobicContact CD1-CE2 4.4Å; F159-F165 HydrophobicContact CD1-CG 4.43Å; F159-F165 AromaticContact CD1-CZ 3.7Å; F159-F165 HydrophobicContact CD1-CZ 3.7Å; F159-F165 HydrophobicContact CD2-CB 3.96Å; F159-F165 AromaticContact CD2-CD1 3.6Å; F159-F165 HydrophobicContact CD2-CD1 3.6Å; F159-F165 AromaticContact CD2-CD2 3.79Å; F159-F165 HydrophobicContact CD2-CD2 3.79Å; F159-F165 AromaticContact CD2-CE1 3.94Å; F159-F165 HydrophobicContact CD2-CE1 3.94Å; F159-F165 HydrophobicContact CD2-CE2 4.12Å; F159-F165 AromaticContact CD2-CG 3.5Å; F159-F165 HydrophobicContact CD2-CG 3.5Å; F159-F165 HydrophobicContact CD2-CZ 4.19Å; F159-F165 AromaticContact CE1-CD1 3.54Å; F159-F165 HydrophobicContact CE1-CD1 3.54Å; F159-F165 AromaticContact CE1-CE1 3.43Å; F159-F165 HydrophobicContact CE1-CE1 3.43Å; F159-F165 VanDerWaalsContact CE1-CE1 3.43Å; F159-F165 HydrophobicContact CE1-CG 4.43Å; F159-F165 HydrophobicContact CE1-CZ 4.27Å; F159-F165 HydrophobicContact CE2-CB 3.64Å; F159-F165 AromaticContact CE2-CD1 3.37Å; F159-F165 HydrophobicContact CE2-CD1 3.37Å; F159-F165 HydrophobicContact CE2-CD2 4.26Å; F159-F165 HydrophobicContact CE2-CE1 4.02Å; F159-F165 AromaticContact CE2-CG 3.5Å; F159-F165 HydrophobicContact CE2-CG 3.5Å; F159-F165 VanDerWaalsContact CE2-CG 3.5Å; F159-F165 AromaticContact CG-CD1 3.8Å; F159-F165 HydrophobicContact CG-CD1 3.8Å; F159-F165 HydrophobicContact CG-CD2 4.05Å; F159-F165 AromaticContact CG-CE1 3.61Å; F159-F165 HydrophobicContact CG-CE1 3.61Å; F159-F165 AromaticContact CG-CE2 3.89Å; F159-F165 HydrophobicContact CG-CE2 3.89Å; F159-F165 HydrophobicContact CG-CG 4Å; F159-F165 AromaticContact CG-CZ 3.66Å; F159-F165 HydrophobicContact CG-CZ 3.66Å; F159-F165 HydrophobicContact CZ-CB 4.34Å; F159-F165 AromaticContact CZ-CD1 3.35Å; F159-F165 HydrophobicContact CZ-CD1 3.35Å; F159-F165 AromaticContact CZ-CE1 3.79Å; F159-F165 HydrophobicContact CZ-CE1 3.79Å; F159-F165 AromaticContact CZ-CG 3.99Å; F159-F165 HydrophobicContact CZ-CG 3.99Å; F159-E188 HydrophobicContact CE2-CB 4.26Å; F159-E188 HydrophobicContact CE2-CG 4.21Å; F159-E188 HydrophobicContact CZ-CB 4.04Å; F159-E188 HydrophobicContact CZ-CG 4.13Å; F159-Y200 WeakPolarHBondContact O-CA 3.42Å; F159-S201 WeakPolarHBondContact CD1-O 3.43Å; F159-S201 PolarHBondContact N-O 3.38Å; F159-S201 PolarHBondContact O-N 2.94Å; F159-Q226 CarbonylContact C-O 3.52Å; F159-Q226 WeakPolarHBondContact CA-O 3.39Å; F159-Q226 WeakPolarHBondContact CB-O 3.34Å; F159-I227 HydrophobicContact CB-CD1 4.36Å |
| 160 | T | 92.4 | Very high | 95.1 | Very high | 21 Ų | 21 | 30.8 Ų | 30.8 | 13% | 0.129 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 135.6 | 172.1 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | Q198 Y200 Q226 M228 | T160-Q198 HydrophobicContact CG2-CG 4.16Å; T160-Q198 VanDerWaalsContact CG2-NE2 3.27Å; T160-Y200 HydrophobicContact CG2-CD1 3.85Å; T160-Y200 HydrophobicContact CG2-CE1 3.81Å; T160-Q226 PolarHBondContact N-O 3.27Å; T160-Q226 PolarHBondContact OG1-O 3.38Å; T160-M228 HydrophobicContact CG2-CE 3.55Å; T160-M228 HydrophobicContact CG2-CG 3.79Å; T160-M228 HydrophobicContact CG2-SD 3.45Å; T160-M228 WeakPolarHBondContact CG2-SD 3.34Å |
| 161 | L | 86.5 | Confident | 95.1 | Very high | 52 Ų | 52 | 25.1 Ų | 25.1 | 27% | 0.272 | 13% | 0.133 | S | C | . | . | trans | -76.7 | 154.9 | 167.7 | -63 | 176.5 | 0 | 0 | 0 | 110.7 | F159 E188 S199 | F159-L161 HydrophobicContact CE2-CD2 3.81Å; L161-E188 HydrophobicContact CD2-CG 3.82Å; L161-S199 WeakPolarHBondContact CB-O 3.34Å; L161-S199 PolarHBondContact N-O 2.84Å | ||
| 162 | G | 79.8 | Confident | 95 | Very high | 35 Ų | 35 | 29 Ų | 29 | 36% | 0.361 | 15% | 0.15 | S | C | . | . | S | Bend | trans | 154.2 | 21.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | S190 K192 | G162-S190 PolarHBondContact N-OG 2.9Å; G162-K192 WeakPolarHBondContact O-CE 3.44Å; G162-K192 WeakPolarHBondContact O-CG 3.11Å |
| 163 | G | 84.8 | Confident | 94.8 | Very high | 19 Ų | 19 | 26.1 Ų | 26.1 | 20% | 0.196 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 148.2 | -153.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S190 | G163-S190 WeakPolarHBondContact CA-O 3.06Å; G163-S190 PolarHBondContact N-OG 3.05Å; G163-S190 PolarHBondContact O-N 3.48Å; G163-S190 PolarHBondContact O-OG 3.25Å |
| 164 | A | 89.8 | Confident | 94.5 | Very high | 43 Ų | 43 | 35.4 Ų | 35.4 | 36% | 0.355 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 126 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y166 E188 Y189 | A164-Y166 HydrophobicContact CB-CE1 4.38Å; A164-E188 CarbonylContact C-O 3.55Å; A164-E188 WeakPolarHBondContact CA-O 3.49Å; A164-Y189 HydrophobicContact CB-CD1 3.72Å; A164-Y189 HydrophobicContact CB-CE1 3.8Å |
| 165 | F | 94.7 | Very high | 94 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 2% | 0.022 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 137.1 | 171.4 | -178.4 | -98 | 0 | 0 | 0 | 110.3 | V157 F159 H167 R187 E188 V221 S222 Q226 I227 | V157-F165 HydrophobicContact CG2-CE1 3.86Å; V157-F165 HydrophobicContact CG2-CZ 3.99Å; F159-F165 HydrophobicContact CB-CD2 4.35Å; F159-F165 HydrophobicContact CB-CE1 4.35Å; F159-F165 HydrophobicContact CB-CE2 3.89Å; F159-F165 HydrophobicContact CB-CZ 3.89Å; F159-F165 AromaticContact CD1-CD1 3.76Å; F159-F165 HydrophobicContact CD1-CD1 3.76Å; F159-F165 AromaticContact CD1-CE1 3.34Å; F159-F165 HydrophobicContact CD1-CE1 3.34Å; F159-F165 HydrophobicContact CD1-CE2 4.4Å; F159-F165 HydrophobicContact CD1-CG 4.43Å; F159-F165 AromaticContact CD1-CZ 3.7Å; F159-F165 HydrophobicContact CD1-CZ 3.7Å; F159-F165 HydrophobicContact CD2-CB 3.96Å; F159-F165 AromaticContact CD2-CD1 3.6Å; F159-F165 HydrophobicContact CD2-CD1 3.6Å; F159-F165 AromaticContact CD2-CD2 3.79Å; F159-F165 HydrophobicContact CD2-CD2 3.79Å; F159-F165 AromaticContact CD2-CE1 3.94Å; F159-F165 HydrophobicContact CD2-CE1 3.94Å; F159-F165 HydrophobicContact CD2-CE2 4.12Å; F159-F165 AromaticContact CD2-CG 3.5Å; F159-F165 HydrophobicContact CD2-CG 3.5Å; F159-F165 HydrophobicContact CD2-CZ 4.19Å; F159-F165 AromaticContact CE1-CD1 3.54Å; F159-F165 HydrophobicContact CE1-CD1 3.54Å; F159-F165 AromaticContact CE1-CE1 3.43Å; F159-F165 HydrophobicContact CE1-CE1 3.43Å; F159-F165 VanDerWaalsContact CE1-CE1 3.43Å; F159-F165 HydrophobicContact CE1-CG 4.43Å; F159-F165 HydrophobicContact CE1-CZ 4.27Å; F159-F165 HydrophobicContact CE2-CB 3.64Å; F159-F165 AromaticContact CE2-CD1 3.37Å; F159-F165 HydrophobicContact CE2-CD1 3.37Å; F159-F165 HydrophobicContact CE2-CD2 4.26Å; F159-F165 HydrophobicContact CE2-CE1 4.02Å; F159-F165 AromaticContact CE2-CG 3.5Å; F159-F165 HydrophobicContact CE2-CG 3.5Å; F159-F165 VanDerWaalsContact CE2-CG 3.5Å; F159-F165 AromaticContact CG-CD1 3.8Å; F159-F165 HydrophobicContact CG-CD1 3.8Å; F159-F165 HydrophobicContact CG-CD2 4.05Å; F159-F165 AromaticContact CG-CE1 3.61Å; F159-F165 HydrophobicContact CG-CE1 3.61Å; F159-F165 AromaticContact CG-CE2 3.89Å; F159-F165 HydrophobicContact CG-CE2 3.89Å; F159-F165 HydrophobicContact CG-CG 4Å; F159-F165 AromaticContact CG-CZ 3.66Å; F159-F165 HydrophobicContact CG-CZ 3.66Å; F159-F165 HydrophobicContact CZ-CB 4.34Å; F159-F165 AromaticContact CZ-CD1 3.35Å; F159-F165 HydrophobicContact CZ-CD1 3.35Å; F159-F165 AromaticContact CZ-CE1 3.79Å; F159-F165 HydrophobicContact CZ-CE1 3.79Å; F159-F165 AromaticContact CZ-CG 3.99Å; F159-F165 HydrophobicContact CZ-CG 3.99Å; F165-H167 HydrophobicContact CE1-CB 3.89Å; F165-R187 WeakPolarHBondContact O-CA 3.49Å; F165-E188 HydrophobicContact CB-CB 4.31Å; F165-E188 PolarHBondContact N-O 2.92Å; F165-E188 PolarHBondContact O-N 3.3Å; F165-V221 HydrophobicContact CE2-CB 4.11Å; F165-V221 HydrophobicContact CE2-CG1 4.48Å; F165-V221 HydrophobicContact CZ-CB 4.02Å; F165-V221 HydrophobicContact CZ-CG1 3.91Å; F165-S222 WeakPolarHBondContact CA-OG 3.13Å; F165-S222 VanDerWaalsContact CD2-OG 3.26Å; F165-S222 WeakPolarHBondContact CD2-OG 3.36Å; F165-Q226 HydrophobicContact CD2-CB 4.47Å; F165-Q226 HydrophobicContact CE2-CB 4.45Å; F165-I227 HydrophobicContact CE2-CD1 4.09Å; F165-I227 HydrophobicContact CZ-CD1 3.89Å |
| 166 | Y | 96.3 | Very high | 93.5 | Very high | 81 Ų | 81 | 47.2 Ų | 47.2 | 32% | 0.318 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.8 | 177.2 | -53 | -46.9 | 0 | 0 | 0 | 108.7 | A164 R187 Y189 V221 S222 | A164-Y166 HydrophobicContact CB-CE1 4.38Å; Y166-R187 HydrophobicContact CD1-CB 3.89Å; Y166-R187 HydrophobicContact CD1-CG 3.63Å; Y166-R187 HydrophobicContact CE1-CB 4.11Å; Y166-R187 HydrophobicContact CE1-CG 3.98Å; Y166-Y189 HydrophobicContact CE1-CE1 4.04Å; Y166-Y189 AromaticContact CE1-CZ 3.99Å; Y166-V221 CarbonylContact O-C 3.51Å; Y166-V221 WeakPolarHBondContact O-CA 3.36Å; Y166-V221 WeakPolarHBondContact O-CB 3.16Å; Y166-S222 PolarHBondContact N-OG 2.93Å; Y166-S222 VanDerWaalsContact N-OG 3.15Å; Y166-S222 PolarHBondContact O-N 3.22Å |
| 167 | H | 98.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128.8 | 172 | 169.4 | -149.8 | 0 | 0 | 0 | 107.4 | S155 V157 F165 Q185 A186 S203 L205 | S155-H167 WeakPolarHBondContact CB-NE2 3.31Å; S155-H167 PolarHBondContact O-CE1 2.74Å; S155-H167 PolarHBondContact OG-CE1 2.95Å; S155-H167 PolarHBondContact OG-NE2 3.26Å; V157-H167 HydrophobicContact CG2-CB 3.99Å; F165-H167 HydrophobicContact CE1-CB 3.89Å; H167-Q185 CarbonylContact O-C 3.52Å; H167-Q185 WeakPolarHBondContact O-CA 3.47Å; H167-A186 PolarHBondContact N-O 3.49Å; H167-A186 PolarHBondContact O-N 3.48Å; H167-S203 WeakPolarHBondContact ND1-CB 3.5Å; H167-S203 PolarHBondContact ND1-OG 2.59Å; H167-L205 HydrophobicContact CB-CD1 4.5Å; H167-L205 WeakPolarHBondContact O-CD1 3.45Å |
| 168 | S | 98.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 149.6 | 178.7 | 47.6 | 0 | 0 | 0 | 0 | 112.1 | L184 H220 | S168-L184 CarbonylContact C-O 3.56Å; S168-L184 WeakPolarHBondContact CA-O 3.14Å; S168-L184 WeakPolarHBondContact CB-O 3.36Å; S168-H220 PolarHBondContact N-O 3.39Å; S168-H220 PolarHBondContact O-N 3.05Å; S168-H220 PolarHBondContact OG-O 2.81Å |
| 169 | V | 98.7 | Very high | 91 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126 | 165.8 | -179 | 0 | 0 | 0 | 0 | 107.2 | I153 L183 L184 L205 F237 | I153-V169 HydrophobicContact CG2-CG1 3.96Å; V169-L183 PolarHBondContact O-N 3.18Å; V169-L184 HydrophobicContact CB-CB 4.27Å; V169-L184 HydrophobicContact CB-CD1 4.48Å; V169-L184 HydrophobicContact CG2-CD1 4.37Å; V169-L184 PolarHBondContact N-O 2.91Å; V169-L184 PolarHBondContact O-N 3.39Å; V169-L205 HydrophobicContact CG2-CD1 4.47Å; V169-F237 HydrophobicContact CG1-CE2 4.33Å |
| 170 | E | 98 | Very high | 90.6 | Very high | 21 Ų | 21 | 59.5 Ų | 59.5 | 10% | 0.098 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 151.3 | -178.6 | -58.8 | -166.1 | 163.3 | 0 | 0 | 110.5 | I181 R182 V217 Y218 H220 | E170-I181 CarbonylContact C-O 3.55Å; E170-I181 WeakPolarHBondContact CA-O 3.5Å; E170-R182 HydrophobicContact CG-CB 4.4Å; E170-R182 HydrophobicContact CG-CG 4.48Å; E170-R182 IonicContact OE1-CZ 3.72Å; E170-R182 IonicContact OE1-NE 2.84Å; E170-R182 PolarHBondContact OE1-NE 2.88Å; E170-R182 IonicContact OE1-NH2 3.67Å; E170-R182 PolarHBondContact OE1-NH2 3.4Å; E170-V217 WeakPolarHBondContact O-CA 3.38Å; E170-Y218 HydrophobicContact CB-CD2 4.32Å; E170-Y218 HydrophobicContact CB-CE1 3.98Å; E170-Y218 HydrophobicContact CB-CE2 3.66Å; E170-Y218 VanDerWaalsContact CB-CZ 3.45Å; E170-Y218 WeakPolarHBondContact CB-OH 3.25Å; E170-Y218 HydrophobicContact CG-CE2 4.3Å; E170-Y218 PolarHBondContact N-O 3.46Å; E170-Y218 PolarHBondContact O-N 3.27Å; E170-Y218 PolarHBondContact OE2-OH 3.11Å; E170-H220 HydrophobicContact CG-CB 4.23Å |
| 171 | M | 97.9 | Very high | 90.8 | Very high | 17 Ų | 17 | 61.3 Ų | 61.3 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132.6 | 179.6 | -178.4 | -170.4 | 71.9 | 0 | 0 | 109.9 | T173 G180 I181 L183 L211 D215 A216 V217 | M171-T173 HydrophobicContact CE-CG2 3.78Å; M171-G180 CarbonylContact O-C 3.59Å; M171-G180 WeakPolarHBondContact O-CA 3.26Å; M171-I181 HydrophobicContact CE-CB 4.06Å; M171-I181 HydrophobicContact CE-CD1 3.52Å; M171-I181 HydrophobicContact CE-CG1 4.27Å; M171-I181 HydrophobicContact CE-CG2 4.45Å; M171-I181 PolarHBondContact N-O 3.36Å; M171-I181 PolarHBondContact O-N 3.34Å; M171-L183 HydrophobicContact CB-CD1 3.91Å; M171-L183 HydrophobicContact CB-CD2 4.11Å; M171-L183 HydrophobicContact CB-CG 3.95Å; M171-L211 HydrophobicContact CG-CD2 4.29Å; M171-L211 HydrophobicContact SD-CD2 3.55Å; M171-L211 VanDerWaalsContact SD-CD2 3.55Å; M171-D215 HydrophobicContact CG-CB 4.39Å; M171-D215 HydrophobicContact SD-CB 4.37Å; M171-A216 CarbonylContact C-O 3.59Å; M171-A216 WeakPolarHBondContact CA-O 3.26Å; M171-V217 HydrophobicContact CB-CG1 4.1Å; M171-V217 HydrophobicContact CG-CG1 4.11Å |
| 172 | Q | 96.6 | Very high | 91.3 | Very high | 80 Ų | 80 | 64.7 Ų | 64.7 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129 | 167.4 | -174.3 | 173.5 | 24.5 | 0 | 0 | 108.7 | A216 Y218 | Q172-A216 HydrophobicContact CB-CB 4.4Å; Q172-A216 PolarHBondContact N-O 2.86Å; Q172-A216 PolarHBondContact O-N 2.81Å; Q172-Y218 HydrophobicContact CB-CE1 4.24Å |
| 173 | T | 95.2 | Very high | 92.2 | Very high | 17 Ų | 17 | 64.5 Ų | 64.5 | 10% | 0.104 | 33% | 0.331 | C | S | . | . | trans | -139.1 | 145.3 | 178.7 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | M171 K175 Y176 I181 D215 | M171-T173 HydrophobicContact CE-CG2 3.78Å; T173-K175 HydrophobicContact CG2-CB 4.17Å; T173-K175 PolarHBondContact O-N 3.17Å; T173-K175 PolarHBondContact OG1-N 2.85Å; T173-Y176 PolarHBondContact O-N 3.36Å; T173-Y176 VanDerWaalsContact O-O 3.11Å; T173-I181 HydrophobicContact CG2-CD1 4.04Å; T173-D215 WeakPolarHBondContact CB-OD1 3.32Å; T173-D215 PolarHBondContact OG1-OD1 2.92Å | ||
| 174 | K | 91.8 | Very high | 92.8 | Very high | 194 Ų | 194 | 65.1 Ų | 65.1 | 84% | 0.843 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17.8 | 173 | -64.7 | -179.4 | -177.9 | 174.6 | 0 | 112.4 | Y176 | K174-Y176 PolarHBondContact O-N 3.41Š|
| 175 | K | 89.4 | Confident | 93.2 | Very high | 160 Ų | 160 | 66 Ų | 66 | 70% | 0.696 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -11.4 | 178.7 | -62.7 | 178.8 | 178.2 | 177.9 | 0 | 113.1 | T173 S212 | T173-K175 HydrophobicContact CG2-CB 4.17Å; T173-K175 PolarHBondContact O-N 3.17Å; T173-K175 PolarHBondContact OG1-N 2.85Å; K175-S212 WeakPolarHBondContact CE-OG 3.48Å; K175-S212 PolarHBondContact NZ-OG 3.12Å |
| 176 | Y | 88.4 | Confident | 93.4 | Very high | 126 Ų | 126 | 67.1 Ų | 67.1 | 49% | 0.494 | 34% | 0.337 | S | S | . | . | trans | -132.5 | 119.3 | -178 | -178.8 | -112.9 | 0 | 0 | 0 | 110.2 | T173 K174 G178 I181 | T173-Y176 PolarHBondContact O-N 3.36Å; T173-Y176 VanDerWaalsContact O-O 3.11Å; K174-Y176 PolarHBondContact O-N 3.41Å; Y176-G178 PolarHBondContact O-N 2.85Å; Y176-I181 HydrophobicContact CD1-CD1 3.94Å; Y176-I181 HydrophobicContact CD1-CG1 3.61Å; Y176-I181 HydrophobicContact CE1-CG1 3.96Å; Y176-I181 HydrophobicContact CG-CD1 3.92Å; Y176-I181 HydrophobicContact CG-CG1 4.12Å | ||
| 177 | A | 80.8 | Confident | 93.3 | Very high | 116 Ų | 116 | 70 Ų | 70 | 96% | 0.959 | 35% | 0.347 | S | S | * | . | trans | -73.5 | -5.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 178 | G | 80.8 | Confident | 93 | Very high | 32 Ų | 32 | 73.7 Ų | 73.7 | 33% | 0.33 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -76 | 172.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y176 G180 | Y176-G178 PolarHBondContact O-N 2.85Å; G178-G180 VanDerWaalsContact C-N 3.26Å; G178-G180 PolarHBondContact O-N 3.01Å |
| 179 | K | 77.1 | Confident | 92.5 | Very high | 204 Ų | 204 | 80.1 Ų | 80.1 | 89% | 0.887 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -69.2 | -19.4 | -173.3 | -64.6 | -175.8 | 177 | -177.3 | 0 | 114.6 | ||
| 180 | G | 87.6 | Confident | 91.7 | Very high | 24 Ų | 24 | 81.2 Ų | 81.2 | 25% | 0.247 | 40% | 0.397 | C | S | . | . | trans | 165.2 | 159.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | M171 G178 | M171-G180 CarbonylContact O-C 3.59Å; M171-G180 WeakPolarHBondContact O-CA 3.26Å; G178-G180 VanDerWaalsContact C-N 3.26Å; G178-G180 PolarHBondContact O-N 3.01Å | ||
| 181 | I | 95.8 | Very high | 90.4 | Very high | 59 Ų | 59 | 83.4 Ų | 83.4 | 30% | 0.303 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.9 | 177.1 | -63.4 | 172.3 | 0 | 0 | 0 | 107.5 | E170 M171 T173 Y176 L183 | E170-I181 CarbonylContact C-O 3.55Å; E170-I181 WeakPolarHBondContact CA-O 3.5Å; M171-I181 HydrophobicContact CE-CB 4.06Å; M171-I181 HydrophobicContact CE-CD1 3.52Å; M171-I181 HydrophobicContact CE-CG1 4.27Å; M171-I181 HydrophobicContact CE-CG2 4.45Å; M171-I181 PolarHBondContact N-O 3.36Å; M171-I181 PolarHBondContact O-N 3.34Å; T173-I181 HydrophobicContact CG2-CD1 4.04Å; Y176-I181 HydrophobicContact CD1-CD1 3.94Å; Y176-I181 HydrophobicContact CD1-CG1 3.61Å; Y176-I181 HydrophobicContact CE1-CG1 3.96Å; Y176-I181 HydrophobicContact CG-CD1 3.92Å; Y176-I181 HydrophobicContact CG-CG1 4.12Å; I181-L183 HydrophobicContact CG2-CD2 4.21Å; I181-L183 PolarHBondContact O-N 2.93Å |
| 182 | R | 97.1 | Very high | 88.9 | Confident | 123 Ų | 123 | 90.8 Ų | 90.8 | 46% | 0.464 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 117.2 | 176.8 | -175.2 | 170.6 | -67.4 | 153.3 | 9.2 | 110.2 | E170 Q185 | E170-R182 HydrophobicContact CG-CB 4.4Å; E170-R182 HydrophobicContact CG-CG 4.48Å; E170-R182 IonicContact OE1-CZ 3.72Å; E170-R182 IonicContact OE1-NE 2.84Å; E170-R182 PolarHBondContact OE1-NE 2.88Å; E170-R182 IonicContact OE1-NH2 3.67Å; E170-R182 PolarHBondContact OE1-NH2 3.4Å; R182-Q185 VanDerWaalsContact CD-OE1 3.26Å; R182-Q185 HydrophobicContact CG-CB 4.43Å |
| 183 | L | 98.1 | Very high | 87.1 | Confident | 31 Ų | 31 | 95.4 Ų | 95.4 | 16% | 0.162 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -46.2 | -179.1 | -61.2 | -173.9 | 0 | 0 | 0 | 111.6 | I153 V169 M171 I181 F209 V217 | I153-L183 HydrophobicContact CD1-CD1 3.87Å; V169-L183 PolarHBondContact O-N 3.18Å; M171-L183 HydrophobicContact CB-CD1 3.91Å; M171-L183 HydrophobicContact CB-CD2 4.11Å; M171-L183 HydrophobicContact CB-CG 3.95Å; I181-L183 HydrophobicContact CG2-CD2 4.21Å; I181-L183 PolarHBondContact O-N 2.93Å; L183-F209 HydrophobicContact CB-CD1 4.27Å; L183-F209 HydrophobicContact CB-CD2 4.43Å; L183-F209 HydrophobicContact CB-CE1 3.83Å; L183-F209 HydrophobicContact CB-CE2 4.02Å; L183-F209 HydrophobicContact CB-CZ 3.7Å; L183-F209 HydrophobicContact CD1-CB 4.4Å; L183-F209 HydrophobicContact CD1-CD1 4.26Å; L183-F209 HydrophobicContact CD1-CD2 4.02Å; L183-F209 HydrophobicContact CD1-CE2 4.39Å; L183-F209 HydrophobicContact CD1-CG 3.94Å; L183-F209 HydrophobicContact CD2-CD1 3.85Å; L183-F209 HydrophobicContact CD2-CE1 4.07Å; L183-F209 HydrophobicContact CD2-CG 4.35Å; L183-F209 HydrophobicContact CG-CD1 4.36Å; L183-F209 HydrophobicContact CG-CE1 4.39Å; L183-V217 HydrophobicContact CD1-CG1 4.28Å |
| 184 | L | 98.5 | Very high | 85.3 | Confident | 32 Ų | 32 | 99.8 Ų | 99.8 | 17% | 0.168 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 147.7 | -177.3 | -63 | 169 | 0 | 0 | 0 | 109.8 | S168 V169 L205 A206 F209 | S168-L184 CarbonylContact C-O 3.56Å; S168-L184 WeakPolarHBondContact CA-O 3.14Å; S168-L184 WeakPolarHBondContact CB-O 3.36Å; V169-L184 HydrophobicContact CB-CB 4.27Å; V169-L184 HydrophobicContact CB-CD1 4.48Å; V169-L184 HydrophobicContact CG2-CD1 4.37Å; V169-L184 PolarHBondContact N-O 2.91Å; V169-L184 PolarHBondContact O-N 3.39Å; L184-L205 HydrophobicContact CB-CB 4.18Å; L184-L205 HydrophobicContact CB-CD1 4.01Å; L184-L205 HydrophobicContact CB-CD2 4.36Å; L184-L205 HydrophobicContact CB-CG 4.43Å; L184-L205 HydrophobicContact CD1-CB 4.06Å; L184-A206 VanDerWaalsContact CD1-C 3.43Å; L184-F209 HydrophobicContact CD1-CE2 3.98Å; L184-F209 HydrophobicContact CD1-CZ 4.39Å; L184-F209 HydrophobicContact CD2-CE2 4.11Å; L184-F209 HydrophobicContact CD2-CZ 3.75Å; L184-F209 HydrophobicContact CG-CE2 3.85Å; L184-F209 HydrophobicContact CG-CZ 3.77Å |
| 185 | Q | 98 | Very high | 83.4 | Confident | 63 Ų | 63 | 97.9 Ų | 97.9 | 29% | 0.294 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 136.2 | 173.8 | -170.3 | 171.5 | 9.8 | 0 | 0 | 112.4 | H167 R182 R187 | H167-Q185 CarbonylContact O-C 3.52Å; H167-Q185 WeakPolarHBondContact O-CA 3.47Å; R182-Q185 VanDerWaalsContact CD-OE1 3.26Å; R182-Q185 HydrophobicContact CG-CB 4.43Å; Q185-R187 HydrophobicContact CG-CG 4.3Å; Q185-R187 VanDerWaalsContact NE2-NE 3.14Å |
| 186 | A | 97.6 | Very high | 81.7 | Confident | 28 Ų | 28 | 93.9 Ų | 93.9 | 23% | 0.231 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 151.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | H167 S203 L205 | H167-A186 PolarHBondContact N-O 3.49Å; H167-A186 PolarHBondContact O-N 3.48Å; A186-S203 WeakPolarHBondContact CB-OG 3.11Å; A186-L205 HydrophobicContact CB-CD2 3.8Å; A186-L205 HydrophobicContact CB-CG 4.41Å |
| 187 | R | 95.6 | Very high | 80.6 | Confident | 140 Ų | 140 | 91.3 Ų | 91.3 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 131.2 | 175.9 | -52.7 | -169.1 | -179.7 | 174.3 | 2.8 | 108.7 | F165 Y166 Q185 Y189 | F165-R187 WeakPolarHBondContact O-CA 3.49Å; Y166-R187 HydrophobicContact CD1-CB 3.89Å; Y166-R187 HydrophobicContact CD1-CG 3.63Å; Y166-R187 HydrophobicContact CE1-CB 4.11Å; Y166-R187 HydrophobicContact CE1-CG 3.98Å; Q185-R187 HydrophobicContact CG-CG 4.3Å; Q185-R187 VanDerWaalsContact NE2-NE 3.14Å; R187-Y189 HydrophobicContact CB-CD2 4.49Å; R187-Y189 HydrophobicContact CB-CE2 3.75Å; R187-Y189 VanDerWaalsContact CD-OH 3.29Å; R187-Y189 WeakPolarHBondContact CD-OH 3.46Å |
| 188 | E | 91.4 | Very high | 80 | Confident | 80 Ų | 80 | 91.6 Ų | 91.6 | 37% | 0.374 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.5 | 175.5 | -173.5 | 60.6 | -141.3 | 0 | 0 | 108.2 | F159 L161 A164 F165 | F159-E188 HydrophobicContact CE2-CB 4.26Å; F159-E188 HydrophobicContact CE2-CG 4.21Å; F159-E188 HydrophobicContact CZ-CB 4.04Å; F159-E188 HydrophobicContact CZ-CG 4.13Å; L161-E188 HydrophobicContact CD2-CG 3.82Å; A164-E188 CarbonylContact C-O 3.55Å; A164-E188 WeakPolarHBondContact CA-O 3.49Å; F165-E188 HydrophobicContact CB-CB 4.31Å; F165-E188 PolarHBondContact N-O 2.92Å; F165-E188 PolarHBondContact O-N 3.3Å |
| 189 | Y | 88 | Confident | 80.2 | Confident | 135 Ų | 135 | 92.2 Ų | 92.2 | 53% | 0.529 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 102.8 | 179.9 | -63.3 | -77.7 | 0 | 0 | 0 | 108.7 | A164 Y166 R187 | A164-Y189 HydrophobicContact CB-CD1 3.72Å; A164-Y189 HydrophobicContact CB-CE1 3.8Å; Y166-Y189 HydrophobicContact CE1-CE1 4.04Å; Y166-Y189 AromaticContact CE1-CZ 3.99Å; R187-Y189 HydrophobicContact CB-CD2 4.49Å; R187-Y189 HydrophobicContact CB-CE2 3.75Å; R187-Y189 VanDerWaalsContact CD-OH 3.29Å; R187-Y189 WeakPolarHBondContact CD-OH 3.46Å |
| 190 | S | 81.5 | Confident | 80.8 | Confident | 24 Ų | 24 | 87.4 Ų | 87.4 | 17% | 0.168 | 45% | 0.453 | C | S | . | . | trans | -105.8 | 145.1 | 177.5 | 52.7 | 0 | 0 | 0 | 0 | 111.3 | G162 G163 | G162-S190 PolarHBondContact N-OG 2.9Å; G163-S190 WeakPolarHBondContact CA-O 3.06Å; G163-S190 PolarHBondContact N-OG 3.05Å; G163-S190 PolarHBondContact O-N 3.48Å; G163-S190 PolarHBondContact O-OG 3.25Å | ||
| 191 | S | 71.9 | Confident | 81 | Confident | 66 Ų | 66 | 87.8 Ų | 87.8 | 46% | 0.462 | 45% | 0.452 | S | S | . | . | trans | -80.6 | 140.2 | 175.1 | 95.9 | 0 | 0 | 0 | 0 | 109.8 | K193 | S191-K193 PolarHBondContact O-N 3.11Å; S191-K193 VanDerWaalsContact O-N 3.17Å; S191-K193 PolarHBondContact OG-N 3.45Å | ||
| 192 | K | 64.8 | Low | 81 | Confident | 172 Ų | 172 | 89.4 Ų | 89.4 | 75% | 0.748 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -2.4 | 173.8 | -71.3 | -171.2 | 177.2 | -175 | 0 | 113.7 | G162 D194 | G162-K192 WeakPolarHBondContact O-CE 3.44Å; G162-K192 WeakPolarHBondContact O-CG 3.11Å; K192-D194 VanDerWaalsContact C-N 3.35Å |
| 193 | K | 60.6 | Low | 81 | Confident | 178 Ų | 178 | 84.3 Ų | 84.3 | 77% | 0.774 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -0.9 | -172.8 | -71.5 | -171.2 | 178.2 | -177.4 | 0 | 113.9 | S191 N195 | S191-K193 PolarHBondContact O-N 3.11Å; S191-K193 VanDerWaalsContact O-N 3.17Å; S191-K193 PolarHBondContact OG-N 3.45Å; K193-N195 PolarHBondContact O-N 2.76Å |
| 194 | D | 57.4 | Low | 81 | Confident | 108 Ų | 108 | 88.1 Ų | 88.1 | 58% | 0.578 | 46% | 0.46 | S | S | * | . | trans | -75 | 69.8 | 172.8 | -65.3 | -35.2 | 0 | 0 | 0 | 110.1 | K192 G196 | K192-D194 VanDerWaalsContact C-N 3.35Å; D194-G196 PolarHBondContact O-N 2.84Å | ||
| 195 | N | 51.6 | Low | 81 | Confident | 155 Ų | 155 | 87.5 Ų | 87.5 | 83% | 0.829 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 38.5 | -171.4 | -79.2 | -23 | 0 | 0 | 0 | 114.4 | K193 | K193-N195 PolarHBondContact O-N 2.76Š|
| 196 | G | 53.9 | Low | 81.1 | Confident | 75 Ų | 75 | 86.1 Ų | 86.1 | 77% | 0.773 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | -43.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | D194 | D194-G196 PolarHBondContact O-N 2.84Š|
| 197 | A | 64.2 | Low | 81.1 | Confident | 72 Ų | 72 | 85.6 Ų | 85.6 | 60% | 0.595 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -153.2 | 146.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | S199 | A197-S199 PolarHBondContact O-N 3.3Å; A197-S199 PolarHBondContact O-OG 3.05Å; A197-S199 VanDerWaalsContact O-OG 3.08Å |
| 198 | Q | 68.8 | Low | 81.3 | Confident | 123 Ų | 123 | 82.3 Ų | 82.3 | 58% | 0.575 | 45% | 0.449 | S | S | * | . | trans | -56 | 107.4 | 167.7 | -168.5 | 168.9 | -4.9 | 0 | 0 | 107.4 | T160 Y200 | T160-Q198 HydrophobicContact CG2-CG 4.16Å; T160-Q198 VanDerWaalsContact CG2-NE2 3.27Å; Q198-Y200 HydrophobicContact CB-CE1 4.49Å; Q198-Y200 HydrophobicContact CB-CE2 4.32Å; Q198-Y200 HydrophobicContact CG-CD1 4.45Å; Q198-Y200 HydrophobicContact CG-CE1 3.65Å; Q198-Y200 HydrophobicContact CG-CE2 4.33Å; Q198-Y200 WeakPolarHBondContact CG-OH 3.49Å; Q198-Y200 WeakPolarHBondContact O-CD2 3.39Å; Q198-Y200 WeakPolarHBondContact O-CE2 3.29Å; Q198-Y200 PolarHBondContact OE1-OH 3.24Å | ||
| 199 | S | 84.1 | Confident | 81.6 | Confident | 44 Ų | 44 | 80.7 Ų | 80.7 | 31% | 0.308 | 44% | 0.44 | S | S | . | . | trans | -92.2 | 135.7 | -175.9 | -62.7 | 0 | 0 | 0 | 0 | 108 | L161 A197 | L161-S199 WeakPolarHBondContact CB-O 3.34Å; L161-S199 PolarHBondContact N-O 2.84Å; A197-S199 PolarHBondContact O-N 3.3Å; A197-S199 PolarHBondContact O-OG 3.05Å; A197-S199 VanDerWaalsContact O-OG 3.08Å | ||
| 200 | Y | 90.6 | Very high | 82.1 | Confident | 104 Ų | 104 | 79.3 Ų | 79.3 | 41% | 0.408 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 151.1 | -177.7 | -49.6 | -82.2 | 0 | 0 | 0 | 109.6 | Y158 F159 T160 Q198 M228 | Y158-Y200 HydrophobicContact CE2-CG 4.41Å; Y158-Y200 AromaticContact CZ-CG 3.93Å; Y158-Y200 WeakPolarHBondContact OH-CB 3.26Å; Y158-Y200 VanDerWaalsContact OH-CG 3.27Å; F159-Y200 WeakPolarHBondContact O-CA 3.42Å; T160-Y200 HydrophobicContact CG2-CD1 3.85Å; T160-Y200 HydrophobicContact CG2-CE1 3.81Å; Q198-Y200 HydrophobicContact CB-CE1 4.49Å; Q198-Y200 HydrophobicContact CB-CE2 4.32Å; Q198-Y200 HydrophobicContact CG-CD1 4.45Å; Q198-Y200 HydrophobicContact CG-CE1 3.65Å; Q198-Y200 HydrophobicContact CG-CE2 4.33Å; Q198-Y200 WeakPolarHBondContact CG-OH 3.49Å; Q198-Y200 WeakPolarHBondContact O-CD2 3.39Å; Q198-Y200 WeakPolarHBondContact O-CE2 3.29Å; Q198-Y200 PolarHBondContact OE1-OH 3.24Å; Y200-M228 HydrophobicContact CD1-CG 3.77Å; Y200-M228 HydrophobicContact CD1-SD 4.19Å; Y200-M228 HydrophobicContact CE1-CG 3.98Å; Y200-M228 HydrophobicContact CE1-SD 3.76Å |
| 201 | S | 92.6 | Very high | 82.9 | Confident | 32 Ų | 32 | 78.2 Ų | 78.2 | 22% | 0.224 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 168.3 | 174.6 | -169.4 | 0 | 0 | 0 | 0 | 110.1 | Y158 F159 | Y158-S201 WeakPolarHBondContact CD2-O 3.31Å; F159-S201 WeakPolarHBondContact CD1-O 3.43Å; F159-S201 PolarHBondContact N-O 3.38Å; F159-S201 PolarHBondContact O-N 2.94Å |
| 202 | N | 94.8 | Very high | 84.1 | Confident | 93 Ų | 93 | 75.5 Ų | 75.5 | 50% | 0.497 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 156.8 | 171.3 | 67.5 | 66.4 | 0 | 0 | 0 | 110.8 | V157 Y158 | V157-N202 CarbonylContact O-C 3.58Å; V157-N202 WeakPolarHBondContact O-CA 3.4Å; V157-N202 WeakPolarHBondContact O-CB 3.33Å; Y158-N202 HydrophobicContact CD2-CB 4.25Å |
| 203 | S | 97.2 | Very high | 85.6 | Confident | 16 Ų | 16 | 72.7 Ų | 72.7 | 11% | 0.112 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 132.5 | 173.9 | 176.9 | 0 | 0 | 0 | 0 | 109 | K156 V157 H167 A186 | K156-S203 CarbonylContact C-O 3.59Å; K156-S203 VanDerWaalsContact CA-O 3.31Å; K156-S203 WeakPolarHBondContact CA-O 3.09Å; V157-S203 PolarHBondContact N-O 2.84Å; V157-S203 PolarHBondContact O-N 2.78Å; H167-S203 WeakPolarHBondContact ND1-CB 3.5Å; H167-S203 PolarHBondContact ND1-OG 2.59Å; A186-S203 WeakPolarHBondContact CB-OG 3.11Å |
| 204 | F | 98.4 | Very high | 87.4 | Confident | 111 Ų | 111 | 68.2 Ų | 68.2 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.7 | 173.9 | -174.1 | -94.9 | 0 | 0 | 0 | 109.8 | Y154 S155 K156 A206 | Y154-F204 HydrophobicContact CD2-CE2 4.39Å; S155-F204 CarbonylContact O-C 3.47Å; S155-F204 WeakPolarHBondContact O-CA 3.49Å; K156-F204 HydrophobicContact CB-CD2 3.93Å; K156-F204 HydrophobicContact CG-CD2 4.33Å; F204-A206 HydrophobicContact CE1-CB 3.64Å; F204-A206 HydrophobicContact CZ-CB 4.09Å |
| 205 | L | 98.7 | Very high | 89.3 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 9% | 0.094 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137.3 | 175.7 | -68.8 | 178.4 | 0 | 0 | 0 | 108.4 | Y154 S155 H167 V169 L184 A186 | Y154-L205 CarbonylContact C-O 3.58Å; Y154-L205 WeakPolarHBondContact CA-O 3.4Å; S155-L205 PolarHBondContact N-O 2.77Å; S155-L205 PolarHBondContact O-N 3.19Å; H167-L205 HydrophobicContact CB-CD1 4.5Å; H167-L205 WeakPolarHBondContact O-CD1 3.45Å; V169-L205 HydrophobicContact CG2-CD1 4.47Å; L184-L205 HydrophobicContact CB-CB 4.18Å; L184-L205 HydrophobicContact CB-CD1 4.01Å; L184-L205 HydrophobicContact CB-CD2 4.36Å; L184-L205 HydrophobicContact CB-CG 4.43Å; L184-L205 HydrophobicContact CD1-CB 4.06Å; A186-L205 HydrophobicContact CB-CD2 3.8Å; A186-L205 HydrophobicContact CB-CG 4.41Å |
| 206 | A | 98.7 | Very high | 91.5 | Very high | 34 Ų | 34 | 56.5 Ų | 56.5 | 28% | 0.281 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 155.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y152 I153 L184 F204 | Y152-A206 HydrophobicContact CE1-CB 4.12Å; Y152-A206 HydrophobicContact CE2-CB 4.12Å; Y152-A206 WeakPolarHBondContact OH-CB 3.43Å; I153-A206 CarbonylContact O-C 3.5Å; I153-A206 WeakPolarHBondContact O-CA 3.39Å; I153-A206 WeakPolarHBondContact O-CB 3.3Å; L184-A206 VanDerWaalsContact CD1-C 3.43Å; F204-A206 HydrophobicContact CE1-CB 3.64Å; F204-A206 HydrophobicContact CZ-CB 4.09Å |
| 207 | G | 98.6 | Very high | 93.6 | Very high | 17 Ų | 17 | 52.9 Ų | 52.9 | 18% | 0.175 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | 165 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I153 | I153-G207 PolarHBondContact N-O 2.74Å; I153-G207 PolarHBondContact O-N 2.95Å |
| 208 | V | 98.8 | Very high | 95.2 | Very high | 72 Ų | 72 | 50.3 Ų | 50.3 | 44% | 0.436 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 129.3 | 178.1 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | Y150 Y151 Y152 I242 | Y150-V208 HydrophobicContact CD1-CG1 4.13Å; Y151-V208 CarbonylContact O-C 3.58Å; Y151-V208 VanDerWaalsContact O-CA 3.27Å; Y151-V208 WeakPolarHBondContact O-CA 3.43Å; Y152-V208 HydrophobicContact CD2-CG2 3.91Å; V208-I242 HydrophobicContact CG1-CD1 3.63Å |
| 209 | F | 98.5 | Very high | 96.7 | Very high | 45 Ų | 45 | 44.5 Ų | 44.5 | 20% | 0.197 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 143.9 | -179.4 | -59.8 | -84.6 | 0 | 0 | 0 | 110.8 | Y150 Y151 I153 L183 L184 L211 | Y150-F209 WeakPolarHBondContact CA-O 3.3Å; Y151-F209 PolarHBondContact N-O 2.65Å; Y151-F209 PolarHBondContact O-N 2.8Å; I153-F209 HydrophobicContact CD1-CB 4.34Å; I153-F209 HydrophobicContact CD1-CD2 3.8Å; I153-F209 HydrophobicContact CD1-CG 4.43Å; I153-F209 HydrophobicContact CG1-CD2 4.34Å; L183-F209 HydrophobicContact CB-CD1 4.27Å; L183-F209 HydrophobicContact CB-CD2 4.43Å; L183-F209 HydrophobicContact CB-CE1 3.83Å; L183-F209 HydrophobicContact CB-CE2 4.02Å; L183-F209 HydrophobicContact CB-CZ 3.7Å; L183-F209 HydrophobicContact CD1-CB 4.4Å; L183-F209 HydrophobicContact CD1-CD1 4.26Å; L183-F209 HydrophobicContact CD1-CD2 4.02Å; L183-F209 HydrophobicContact CD1-CE2 4.39Å; L183-F209 HydrophobicContact CD1-CG 3.94Å; L183-F209 HydrophobicContact CD2-CD1 3.85Å; L183-F209 HydrophobicContact CD2-CE1 4.07Å; L183-F209 HydrophobicContact CD2-CG 4.35Å; L183-F209 HydrophobicContact CG-CD1 4.36Å; L183-F209 HydrophobicContact CG-CE1 4.39Å; L184-F209 HydrophobicContact CD1-CE2 3.98Å; L184-F209 HydrophobicContact CD1-CZ 4.39Å; L184-F209 HydrophobicContact CD2-CE2 4.11Å; L184-F209 HydrophobicContact CD2-CZ 3.75Å; L184-F209 HydrophobicContact CG-CE2 3.85Å; L184-F209 HydrophobicContact CG-CZ 3.77Å; F209-L211 HydrophobicContact CB-CD2 4.26Å |
| 210 | Y | 98.1 | Very high | 97.3 | Very high | 107 Ų | 107 | 44.5 Ų | 44.5 | 42% | 0.42 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 124.9 | 166.1 | -174.4 | -87 | 0 | 0 | 0 | 108.7 | E148 G149 Y150 | E148-Y210 PolarHBondContact OE2-OH 2.96Å; G149-Y210 WeakPolarHBondContact O-CA 3.23Å; Y150-Y210 HydrophobicContact CD1-CD2 4.46Å; Y150-Y210 HydrophobicContact CD2-CD2 4.25Å; Y150-Y210 HydrophobicContact CE1-CD2 4.23Å; Y150-Y210 HydrophobicContact CE2-CD2 4Å; Y150-Y210 HydrophobicContact CG-CD2 4.47Å; Y150-Y210 AromaticContact CZ-CD2 3.99Å |
| 211 | L | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 135.4 | 176.9 | -55.3 | 177.5 | 0 | 0 | 0 | 109.3 | I145 E148 G149 Y151 I153 M171 F209 D215 V217 | I145-L211 HydrophobicContact CD1-CD1 3.58Å; I145-L211 HydrophobicContact CG1-CB 3.9Å; I145-L211 HydrophobicContact CG1-CD1 3.6Å; I145-L211 HydrophobicContact CG1-CG 4.39Å; I145-L211 HydrophobicContact CG2-CB 4.24Å; E148-L211 WeakPolarHBondContact CA-O 3.41Å; G149-L211 PolarHBondContact N-O 2.82Å; G149-L211 PolarHBondContact O-N 3.05Å; Y151-L211 HydrophobicContact CD2-CB 3.99Å; Y151-L211 HydrophobicContact CD2-CD1 3.97Å; Y151-L211 HydrophobicContact CD2-CG 4.18Å; Y151-L211 HydrophobicContact CE2-CB 4.44Å; Y151-L211 HydrophobicContact CG-CD1 3.96Å; I153-L211 HydrophobicContact CD1-CD1 3.91Å; M171-L211 HydrophobicContact CG-CD2 4.29Å; M171-L211 HydrophobicContact SD-CD2 3.55Å; M171-L211 VanDerWaalsContact SD-CD2 3.55Å; F209-L211 HydrophobicContact CB-CD2 4.26Å; L211-D215 HydrophobicContact CB-CB 4.43Å; L211-V217 HydrophobicContact CD1-CG1 4.05Å; L211-V217 HydrophobicContact CD2-CG1 4.15Å |
| 212 | S | 97.7 | Very high | 97.7 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 7% | 0.07 | 21% | 0.205 | C | C | . | . | trans | -84.5 | 159.1 | 175.3 | -38.5 | 0 | 0 | 0 | 0 | 109.6 | K175 N214 D215 | K175-S212 WeakPolarHBondContact CE-OG 3.48Å; K175-S212 PolarHBondContact NZ-OG 3.12Å; S212-N214 PolarHBondContact O-N 3.03Å; S212-D215 WeakPolarHBondContact CA-OD2 3.44Å; S212-D215 WeakPolarHBondContact CB-OD2 3.44Å; S212-D215 PolarHBondContact N-OD2 2.89Å; S212-D215 VanDerWaalsContact O-CB 3.3Å; S212-D215 WeakPolarHBondContact O-CB 3.28Å; S212-D215 PolarHBondContact O-N 2.89Å; S212-D215 PolarHBondContact OG-OD2 3.05Å; S212-D215 VanDerWaalsContact OG-OD2 3.05Å | ||
| 213 | Q | 97.3 | Very high | 97.7 | Very high | 113 Ų | 113 | 37.2 Ų | 37.2 | 53% | 0.528 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 136.3 | 166.8 | -173.4 | 179.1 | 60.3 | 0 | 0 | 110.7 | Q146 D215 | Q146-Q213 WeakPolarHBondContact O-CG 3.44Å; Q146-Q213 PolarHBondContact O-NE2 2.9Å; Q213-D215 PolarHBondContact O-N 3.31Å |
| 214 | N | 96.7 | Very high | 97.6 | Very high | 84 Ų | 84 | 37.2 Ų | 37.2 | 45% | 0.449 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 6.3 | -174.2 | -49.7 | -65.5 | 0 | 0 | 0 | 115.8 | I145 S212 | I145-N214 PolarHBondContact O-N 2.87Å; S212-N214 PolarHBondContact O-N 3.03Å |
| 215 | D | 97.9 | Very high | 97.4 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | trans | -66.1 | 140.4 | 163.5 | -69.6 | -15.8 | 0 | 0 | 0 | 108.4 | I145 M171 T173 L211 S212 Q213 | I145-D215 WeakPolarHBondContact CB-O 3.32Å; I145-D215 WeakPolarHBondContact CG1-O 3.36Å; I145-D215 PolarHBondContact N-O 3.38Å; M171-D215 HydrophobicContact CG-CB 4.39Å; M171-D215 HydrophobicContact SD-CB 4.37Å; T173-D215 WeakPolarHBondContact CB-OD1 3.32Å; T173-D215 PolarHBondContact OG1-OD1 2.92Å; L211-D215 HydrophobicContact CB-CB 4.43Å; S212-D215 WeakPolarHBondContact CA-OD2 3.44Å; S212-D215 WeakPolarHBondContact CB-OD2 3.44Å; S212-D215 PolarHBondContact N-OD2 2.89Å; S212-D215 VanDerWaalsContact O-CB 3.3Å; S212-D215 WeakPolarHBondContact O-CB 3.28Å; S212-D215 PolarHBondContact O-N 2.89Å; S212-D215 PolarHBondContact OG-OD2 3.05Å; S212-D215 VanDerWaalsContact OG-OD2 3.05Å; Q213-D215 PolarHBondContact O-N 3.31Å | ||
| 216 | A | 97.7 | Very high | 97.1 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 7% | 0.074 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | K142 L143 V144 M171 Q172 | K142-A216 HydrophobicContact CB-CB 4.05Å; K142-A216 HydrophobicContact CD-CB 4.16Å; K142-A216 HydrophobicContact CG-CB 4.46Å; L143-A216 CarbonylContact O-C 3.58Å; L143-A216 WeakPolarHBondContact O-CA 3.16Å; V144-A216 HydrophobicContact CG2-CB 4.3Å; M171-A216 CarbonylContact C-O 3.59Å; M171-A216 WeakPolarHBondContact CA-O 3.26Å; Q172-A216 HydrophobicContact CB-CB 4.4Å; Q172-A216 PolarHBondContact N-O 2.86Å; Q172-A216 PolarHBondContact O-N 2.81Å |
| 217 | V | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 139.4 | -179.3 | -67.9 | 0 | 0 | 0 | 0 | 110.9 | K142 L143 I153 E170 M171 L183 L211 F237 | K142-V217 WeakPolarHBondContact CA-O 3.12Å; L143-V217 HydrophobicContact CB-CG2 3.97Å; L143-V217 HydrophobicContact CD2-CG2 4.29Å; L143-V217 PolarHBondContact N-O 3.01Å; L143-V217 PolarHBondContact O-N 2.93Å; I153-V217 HydrophobicContact CD1-CG1 4.13Å; E170-V217 WeakPolarHBondContact O-CA 3.38Å; M171-V217 HydrophobicContact CB-CG1 4.1Å; M171-V217 HydrophobicContact CG-CG1 4.11Å; L183-V217 HydrophobicContact CD1-CG1 4.28Å; L211-V217 HydrophobicContact CD1-CG1 4.05Å; L211-V217 HydrophobicContact CD2-CG1 4.15Å; V217-F237 HydrophobicContact CB-CZ 4.23Å; V217-F237 HydrophobicContact CG2-CZ 3.87Å |
| 218 | Y | 98.4 | Very high | 96.7 | Very high | 18 Ų | 18 | 38.3 Ų | 38.3 | 7% | 0.071 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 162.2 | -176.1 | 60.7 | -85.2 | 0 | 0 | 0 | 112 | V122 K142 E170 Q172 H220 | V122-Y218 HydrophobicContact CG1-CD2 4.07Å; V122-Y218 HydrophobicContact CG2-CD2 4.38Å; V122-Y218 HydrophobicContact CG2-CE2 4.45Å; K142-Y218 HydrophobicContact CG-CD1 3.98Å; K142-Y218 HydrophobicContact CG-CG 4.2Å; E170-Y218 HydrophobicContact CB-CD2 4.32Å; E170-Y218 HydrophobicContact CB-CE1 3.98Å; E170-Y218 HydrophobicContact CB-CE2 3.66Å; E170-Y218 VanDerWaalsContact CB-CZ 3.45Å; E170-Y218 WeakPolarHBondContact CB-OH 3.25Å; E170-Y218 HydrophobicContact CG-CE2 4.3Å; E170-Y218 PolarHBondContact N-O 3.46Å; E170-Y218 PolarHBondContact O-N 3.27Å; E170-Y218 PolarHBondContact OE2-OH 3.11Å; Q172-Y218 HydrophobicContact CB-CE1 4.24Å; Y218-H220 HydrophobicContact CE2-CB 4.34Å |
| 219 | V | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 124.3 | 179.8 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | M123 W125 S155 V157 V221 F237 | M123-V219 HydrophobicContact CB-CB 4.14Å; M123-V219 HydrophobicContact CB-CG1 4.32Å; M123-V219 HydrophobicContact CG-CB 4.35Å; M123-V219 HydrophobicContact CG-CG1 3.98Å; M123-V219 PolarHBondContact N-O 3.18Å; W125-V219 HydrophobicContact CZ2-CB 3.93Å; W125-V219 HydrophobicContact CZ2-CG1 4.49Å; W125-V219 HydrophobicContact CZ2-CG2 3.69Å; S155-V219 WeakPolarHBondContact OG-CG2 3.36Å; V157-V219 HydrophobicContact CG1-CG1 4.26Å; V219-V221 HydrophobicContact CG1-CG1 4.46Å; V219-F237 HydrophobicContact CG2-CB 4.01Å; V219-F237 HydrophobicContact CG2-CD1 4.08Å; V219-F237 HydrophobicContact CG2-CD2 3.46Å; V219-F237 VanDerWaalsContact CG2-CD2 3.46Å; V219-F237 HydrophobicContact CG2-CE1 4.42Å; V219-F237 HydrophobicContact CG2-CE2 3.86Å; V219-F237 HydrophobicContact CG2-CG 3.6Å; V219-F237 HydrophobicContact CG2-CZ 4.31Å |
| 220 | H | 98 | Very high | 95.5 | Very high | 44 Ų | 44 | 44.4 Ų | 44.4 | 20% | 0.204 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 136.8 | 176.8 | 179.8 | -70.7 | 0 | 0 | 0 | 109.9 | H121 S168 E170 Y218 | H121-H220 WeakPolarHBondContact CB-NE2 3.37Å; H121-H220 CarbonylContact O-C 3.45Å; H121-H220 VanDerWaalsContact O-CA 3.28Å; H121-H220 WeakPolarHBondContact O-CA 3.48Å; S168-H220 PolarHBondContact N-O 3.39Å; S168-H220 PolarHBondContact O-N 3.05Å; S168-H220 PolarHBondContact OG-O 2.81Å; E170-H220 HydrophobicContact CG-CB 4.23Å; Y218-H220 HydrophobicContact CE2-CB 4.34Å |
| 221 | V | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 160.2 | 175.5 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | H121 M123 V157 F165 Y166 V219 N223 T224 I227 | H121-V221 PolarHBondContact O-N 3.19Å; M123-V221 HydrophobicContact CG-CG1 4.04Å; M123-V221 HydrophobicContact CG-CG2 4.2Å; M123-V221 HydrophobicContact SD-CG1 4.38Å; V157-V221 HydrophobicContact CG1-CG1 4.47Å; F165-V221 HydrophobicContact CE2-CB 4.11Å; F165-V221 HydrophobicContact CE2-CG1 4.48Å; F165-V221 HydrophobicContact CZ-CB 4.02Å; F165-V221 HydrophobicContact CZ-CG1 3.91Å; Y166-V221 CarbonylContact O-C 3.51Å; Y166-V221 WeakPolarHBondContact O-CA 3.36Å; Y166-V221 WeakPolarHBondContact O-CB 3.16Å; V219-V221 HydrophobicContact CG1-CG1 4.46Å; V221-N223 VanDerWaalsContact C-N 3.3Å; V221-N223 PolarHBondContact O-N 2.64Å; V221-T224 HydrophobicContact CG2-CG2 3.46Å; V221-T224 VanDerWaalsContact CG2-CG2 3.46Å; V221-I227 HydrophobicContact CG1-CD1 4.16Å; V221-I227 HydrophobicContact CG2-CD1 4.26Å; V221-I227 HydrophobicContact CG2-CG1 4.35Å |
| 222 | S | 94.9 | Very high | 94.4 | Very high | 25 Ų | 25 | 46.7 Ų | 46.7 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -61.9 | -35.7 | 179.6 | 52 | 0 | 0 | 0 | 0 | 113.5 | H121 F165 Y166 | H121-S222 PolarHBondContact CD2-O 3.29Å; F165-S222 WeakPolarHBondContact CA-OG 3.13Å; F165-S222 VanDerWaalsContact CD2-OG 3.26Å; F165-S222 WeakPolarHBondContact CD2-OG 3.36Å; Y166-S222 PolarHBondContact N-OG 2.93Å; Y166-S222 VanDerWaalsContact N-OG 3.15Å; Y166-S222 PolarHBondContact O-N 3.22Å |
| 223 | N | 93.6 | Very high | 94 | Very high | 52 Ų | 52 | 53.2 Ų | 53.2 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | trans | -161.8 | 121.4 | 173.5 | -176.2 | -7.9 | 0 | 0 | 0 | 109.3 | V221 T225 Q226 | V221-N223 VanDerWaalsContact C-N 3.3Å; V221-N223 PolarHBondContact O-N 2.64Å; N223-T225 VanDerWaalsContact CG-OG1 3.26Å; N223-T225 PolarHBondContact ND2-OG1 2.86Å; N223-T225 PolarHBondContact O-N 2.97Å; N223-T225 WeakPolarHBondContact OD1-CG2 3.5Å; N223-T225 PolarHBondContact OD1-N 2.82Å; N223-T225 PolarHBondContact OD1-OG1 2.91Å; N223-T225 VanDerWaalsContact OD1-OG1 3.08Å; N223-Q226 HydrophobicContact CB-CG 4.43Å; N223-Q226 PolarHBondContact O-N 3.15Å | ||
| 224 | T | 95.4 | Very high | 93.8 | Very high | 16 Ų | 16 | 49.4 Ų | 49.4 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -69.5 | -16.8 | -179 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | H118 G119 T120 V221 Q226 I227 | H118-T224 HydrophobicContact CB-CG2 3.9Å; G119-T224 WeakPolarHBondContact O-CB 3.15Å; G119-T224 WeakPolarHBondContact O-CG2 3.33Å; G119-T224 PolarHBondContact O-OG1 2.88Å; T120-T224 PolarHBondContact O-N 3.29Å; T120-T224 PolarHBondContact O-OG1 2.91Å; V221-T224 HydrophobicContact CG2-CG2 3.46Å; V221-T224 VanDerWaalsContact CG2-CG2 3.46Å; T224-Q226 PolarHBondContact O-N 3.25Å; T224-I227 WeakPolarHBondContact O-CB 3.1Å; T224-I227 WeakPolarHBondContact O-CG1 3.4Å; T224-I227 PolarHBondContact O-N 3.23Å; T224-I227 VanDerWaalsContact O-N 3.11Å |
| 225 | T | 93.5 | Very high | 93.8 | Very high | 109 Ų | 109 | 45.4 Ų | 45.4 | 67% | 0.669 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -68.8 | -14.4 | 174.7 | 73.5 | 0 | 0 | 0 | 0 | 113.1 | N223 | N223-T225 VanDerWaalsContact CG-OG1 3.26Å; N223-T225 PolarHBondContact ND2-OG1 2.86Å; N223-T225 PolarHBondContact O-N 2.97Å; N223-T225 WeakPolarHBondContact OD1-CG2 3.5Å; N223-T225 PolarHBondContact OD1-N 2.82Å; N223-T225 PolarHBondContact OD1-OG1 2.91Å; N223-T225 VanDerWaalsContact OD1-OG1 3.08Å |
| 226 | Q | 93.5 | Very high | 93.8 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 21% | 0.206 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -87 | -9 | 175.3 | -64.1 | 179.4 | 4.2 | 0 | 0 | 112.4 | F159 T160 F165 N223 T224 M228 | F159-Q226 CarbonylContact C-O 3.52Å; F159-Q226 WeakPolarHBondContact CA-O 3.39Å; F159-Q226 WeakPolarHBondContact CB-O 3.34Å; T160-Q226 PolarHBondContact N-O 3.27Å; T160-Q226 PolarHBondContact OG1-O 3.38Å; F165-Q226 HydrophobicContact CD2-CB 4.47Å; F165-Q226 HydrophobicContact CE2-CB 4.45Å; N223-Q226 HydrophobicContact CB-CG 4.43Å; N223-Q226 PolarHBondContact O-N 3.15Å; T224-Q226 PolarHBondContact O-N 3.25Å; Q226-M228 PolarHBondContact O-N 3.22Å |
| 227 | I | 94.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -73.9 | 126.1 | -178.5 | -57.6 | -63 | 0 | 0 | 0 | 109.5 | M123 V157 F159 F165 V221 T224 R229 | M123-I227 HydrophobicContact SD-CB 4.46Å; M123-I227 HydrophobicContact SD-CD1 3.74Å; M123-I227 HydrophobicContact SD-CG1 3.69Å; M123-I227 HydrophobicContact SD-CG2 4.05Å; V157-I227 HydrophobicContact CB-CD1 4.34Å; F159-I227 HydrophobicContact CB-CD1 4.36Å; F165-I227 HydrophobicContact CE2-CD1 4.09Å; F165-I227 HydrophobicContact CZ-CD1 3.89Å; V221-I227 HydrophobicContact CG1-CD1 4.16Å; V221-I227 HydrophobicContact CG2-CD1 4.26Å; V221-I227 HydrophobicContact CG2-CG1 4.35Å; T224-I227 WeakPolarHBondContact O-CB 3.1Å; T224-I227 WeakPolarHBondContact O-CG1 3.4Å; T224-I227 PolarHBondContact O-N 3.23Å; T224-I227 VanDerWaalsContact O-N 3.11Å; I227-R229 HydrophobicContact CG2-CG 4.3Å |
| 228 | M | 93.7 | Very high | 93.9 | Very high | 40 Ų | 40 | 45.3 Ų | 45.3 | 20% | 0.197 | 22% | 0.221 | C | C | . | . | trans | -92.6 | 130.6 | 179.6 | -69.8 | -62.6 | 95 | 0 | 0 | 110.2 | Y158 T160 Y200 Q226 N235 | Y158-M228 HydrophobicContact CD1-CB 3.43Å; Y158-M228 VanDerWaalsContact CD1-CB 3.43Å; Y158-M228 HydrophobicContact CD1-CG 4.39Å; Y158-M228 HydrophobicContact CE1-CB 3.7Å; Y158-M228 HydrophobicContact CE1-CG 4.34Å; Y158-M228 HydrophobicContact CG-CB 4.22Å; Y158-M228 PolarHBondContact O-N 2.95Å; T160-M228 HydrophobicContact CG2-CE 3.55Å; T160-M228 HydrophobicContact CG2-CG 3.79Å; T160-M228 HydrophobicContact CG2-SD 3.45Å; T160-M228 WeakPolarHBondContact CG2-SD 3.34Å; Y200-M228 HydrophobicContact CD1-CG 3.77Å; Y200-M228 HydrophobicContact CD1-SD 4.19Å; Y200-M228 HydrophobicContact CE1-CG 3.98Å; Y200-M228 HydrophobicContact CE1-SD 3.76Å; Q226-M228 PolarHBondContact O-N 3.22Å; M228-N235 PolarHBondContact O-ND2 3.03Å | ||
| 229 | R | 89.3 | Confident | 93.9 | Very high | 106 Ų | 106 | 44.4 Ų | 44.4 | 40% | 0.4 | 22% | 0.217 | S | C | . | . | trans | -123.8 | 79.9 | -171.8 | -50.1 | -176.4 | 67.4 | -154.6 | -20.2 | 107.9 | D112 G113 V116 I227 | D112-R229 VanDerWaalsContact CG-NE 3.33Å; D112-R229 IonicContact OD1-CZ 3.62Å; D112-R229 IonicContact OD1-NE 3.24Å; D112-R229 PolarHBondContact OD1-NE 3.28Å; D112-R229 IonicContact OD1-NH2 3.05Å; D112-R229 PolarHBondContact OD1-NH2 3.08Å; D112-R229 WeakPolarHBondContact OD2-CB 3.3Å; D112-R229 VanDerWaalsContact OD2-CG 3.23Å; D112-R229 WeakPolarHBondContact OD2-CG 3.48Å; D112-R229 IonicContact OD2-CZ 3.17Å; D112-R229 IonicContact OD2-NE 3.05Å; D112-R229 PolarHBondContact OD2-NE 3.23Å; D112-R229 IonicContact OD2-NH2 2.65Å; G113-R229 PolarHBondContact O-NH2 3.33Å; V116-R229 PolarHBondContact O-NH1 3.18Å; I227-R229 HydrophobicContact CG2-CG 4.3Å | ||
| 230 | H | 82.9 | Confident | 93.9 | Very high | 140 Ų | 140 | 48.4 Ų | 48.4 | 65% | 0.648 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -106.4 | -48 | 176.9 | -174.5 | 63.2 | 0 | 0 | 0 | 111.2 | E234 | H230-E234 VanDerWaalsContact CB-OE2 3.3Å; H230-E234 WeakPolarHBondContact CB-OE2 3.44Å; H230-E234 PolarHBondContact N-OE2 3.16Å |
| 231 | K | 88.4 | Confident | 93.9 | Very high | 95 Ų | 95 | 47.6 Ų | 47.6 | 41% | 0.413 | 23% | 0.231 | S | C | . | . | trans | -129.2 | 145.6 | 175.6 | -58.2 | -71.6 | -178.1 | -177.7 | 0 | 111 | Y233 E234 | K231-Y233 HydrophobicContact CB-CD1 3.99Å; K231-Y233 HydrophobicContact CB-CD2 4.17Å; K231-Y233 HydrophobicContact CB-CE1 3.57Å; K231-Y233 HydrophobicContact CB-CE2 3.76Å; K231-Y233 HydrophobicContact CB-CG 4.28Å; K231-Y233 VanDerWaalsContact CB-CZ 3.45Å; K231-Y233 HydrophobicContact CD-CE1 4.23Å; K231-Y233 HydrophobicContact CG-CE1 3.99Å; K231-Y233 HydrophobicContact CG-CE2 4.19Å; K231-Y233 WeakPolarHBondContact CG-OH 3.16Å; K231-Y233 PolarHBondContact O-N 3.02Å; K231-E234 HydrophobicContact CB-CG 4.07Å; K231-E234 PolarHBondContact N-OE2 3.08Å; K231-E234 WeakPolarHBondContact O-CB 3.39Å; K231-E234 PolarHBondContact O-N 2.96Å; K231-E234 VanDerWaalsContact O-N 3.11Å | ||
| 232 | S | 84.4 | Confident | 93.9 | Very high | 59 Ų | 59 | 52.9 Ų | 52.9 | 41% | 0.413 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -58.8 | -31.6 | -178.1 | 51.8 | 0 | 0 | 0 | 0 | 113.2 | T111 D112 E234 | T111-S232 WeakPolarHBondContact CB-O 3.39Å; D112-S232 WeakPolarHBondContact O-CB 3.37Å; S232-E234 VanDerWaalsContact C-N 3.33Å; S232-E234 PolarHBondContact O-N 3.31Å |
| 233 | Y | 88.4 | Confident | 93.8 | Very high | 147 Ų | 147 | 54.3 Ų | 54.3 | 58% | 0.576 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -82.2 | -1.7 | -179.6 | 56.1 | -105.4 | 0 | 0 | 0 | 115 | K231 | K231-Y233 HydrophobicContact CB-CD1 3.99Å; K231-Y233 HydrophobicContact CB-CD2 4.17Å; K231-Y233 HydrophobicContact CB-CE1 3.57Å; K231-Y233 HydrophobicContact CB-CE2 3.76Å; K231-Y233 HydrophobicContact CB-CG 4.28Å; K231-Y233 VanDerWaalsContact CB-CZ 3.45Å; K231-Y233 HydrophobicContact CD-CE1 4.23Å; K231-Y233 HydrophobicContact CG-CE1 3.99Å; K231-Y233 HydrophobicContact CG-CE2 4.19Å; K231-Y233 WeakPolarHBondContact CG-OH 3.16Å; K231-Y233 PolarHBondContact O-N 3.02Å |
| 234 | E | 93.9 | Very high | 93.8 | Very high | 33 Ų | 33 | 54.4 Ų | 54.4 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -79.6 | -32 | 177.1 | -71.3 | 173.1 | 154.4 | 0 | 0 | 112 | K156 Y158 H230 K231 S232 | K156-E234 WeakPolarHBondContact CE-O 3.43Å; Y158-E234 HydrophobicContact CD1-CB 4.27Å; Y158-E234 HydrophobicContact CD1-CG 4.49Å; Y158-E234 HydrophobicContact CG-CB 4.41Å; H230-E234 VanDerWaalsContact CB-OE2 3.3Å; H230-E234 WeakPolarHBondContact CB-OE2 3.44Å; H230-E234 PolarHBondContact N-OE2 3.16Å; K231-E234 HydrophobicContact CB-CG 4.07Å; K231-E234 PolarHBondContact N-OE2 3.08Å; K231-E234 WeakPolarHBondContact O-CB 3.39Å; K231-E234 PolarHBondContact O-N 2.96Å; K231-E234 VanDerWaalsContact O-N 3.11Å; S232-E234 VanDerWaalsContact C-N 3.33Å; S232-E234 PolarHBondContact O-N 3.31Å |
| 235 | N | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -119 | 116.3 | 175.6 | -57.4 | -65 | 0 | 0 | 0 | 108.7 | D112 M123 W125 K156 V157 Y158 M228 | D112-N235 HydrophobicContact CB-CB 3.94Å; D112-N235 PolarHBondContact N-O 2.94Å; M123-N235 HydrophobicContact CE-CB 4.32Å; W125-N235 HydrophobicContact CZ3-CB 4.36Å; K156-N235 CarbonylContact O-C 3.52Å; K156-N235 VanDerWaalsContact O-CA 3.3Å; K156-N235 WeakPolarHBondContact O-CA 3.29Å; V157-N235 WeakPolarHBondContact CA-OD1 3.17Å; Y158-N235 PolarHBondContact N-OD1 2.98Å; M228-N235 PolarHBondContact O-ND2 3.03Å |
| 236 | V | 98 | Very high | 93.8 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 9% | 0.085 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 151.9 | -179.4 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | L110 T111 W125 Y154 S155 K156 | L110-V236 CarbonylContact O-C 3.51Å; L110-V236 VanDerWaalsContact O-CA 3.31Å; L110-V236 WeakPolarHBondContact O-CA 3.38Å; T111-V236 HydrophobicContact CG2-CG1 4.14Å; W125-V236 VanDerWaalsContact CZ3-C 3.49Å; Y154-V236 HydrophobicContact CE2-CG2 4.37Å; S155-V236 CarbonylContact C-O 3.58Å; S155-V236 WeakPolarHBondContact CA-O 3.36Å; K156-V236 HydrophobicContact CB-CG2 3.72Å; K156-V236 PolarHBondContact N-O 2.87Å; K156-V236 PolarHBondContact O-N 3.02Å |
| 237 | F | 98.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 137.9 | 173 | 172.1 | -130.7 | 0 | 0 | 0 | 109.4 | L110 W125 L143 I153 Y154 V169 V217 V219 | L110-F237 WeakPolarHBondContact CA-O 3.41Å; L110-F237 VanDerWaalsContact CB-O 3.3Å; L110-F237 WeakPolarHBondContact CB-O 3.47Å; L110-F237 HydrophobicContact CD1-CD1 3.95Å; L110-F237 PolarHBondContact N-O 3.29Å; L110-F237 PolarHBondContact O-N 2.8Å; W125-F237 HydrophobicContact CD2-CB 3.94Å; W125-F237 VanDerWaalsContact CE2-CB 3.41Å; W125-F237 AromaticContact CE2-CD1 3.82Å; W125-F237 AromaticContact CE2-CG 3.99Å; W125-F237 HydrophobicContact CE3-CB 4.16Å; W125-F237 HydrophobicContact CH2-CB 3.39Å; W125-F237 HydrophobicContact CZ2-CB 3.15Å; W125-F237 HydrophobicContact CZ2-CD1 4.18Å; W125-F237 AromaticContact CZ2-CG 3.9Å; W125-F237 HydrophobicContact CZ2-CG 3.9Å; W125-F237 HydrophobicContact CZ3-CB 3.91Å; W125-F237 AromaticContact NE1-CD1 3.47Å; L143-F237 HydrophobicContact CB-CE1 3.96Å; L143-F237 HydrophobicContact CB-CZ 4.44Å; I153-F237 HydrophobicContact CG2-CE2 3.76Å; Y154-F237 WeakPolarHBondContact O-CA 3.26Å; Y154-F237 VanDerWaalsContact O-CD2 3.26Å; Y154-F237 WeakPolarHBondContact O-CD2 3.34Å; V169-F237 HydrophobicContact CG1-CE2 4.33Å; V217-F237 HydrophobicContact CB-CZ 4.23Å; V217-F237 HydrophobicContact CG2-CZ 3.87Å; V219-F237 HydrophobicContact CG2-CB 4.01Å; V219-F237 HydrophobicContact CG2-CD1 4.08Å; V219-F237 HydrophobicContact CG2-CD2 3.46Å; V219-F237 VanDerWaalsContact CG2-CD2 3.46Å; V219-F237 HydrophobicContact CG2-CE1 4.42Å; V219-F237 HydrophobicContact CG2-CE2 3.86Å; V219-F237 HydrophobicContact CG2-CG 3.6Å; V219-F237 HydrophobicContact CG2-CZ 4.31Å |
| 238 | G | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 171 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A108 Y154 | A108-G238 CarbonylContact O-C 3.55Å; A108-G238 WeakPolarHBondContact O-CA 3.44Å; Y154-G238 WeakPolarHBondContact CD1-O 3.19Å; Y154-G238 VanDerWaalsContact CE1-C 3.48Å; Y154-G238 PolarHBondContact N-O 2.92Å; Y154-G238 PolarHBondContact O-N 2.97Å |
| 239 | A | 98.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 153.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | V107 A108 M136 L143 Y151 Y152 I153 | V107-A239 CarbonylContact C-O 3.49Å; V107-A239 WeakPolarHBondContact CA-O 3.31Å; A108-A239 PolarHBondContact N-O 2.75Å; A108-A239 PolarHBondContact O-N 2.87Å; M136-A239 HydrophobicContact CE-CB 4.32Å; M136-A239 VanDerWaalsContact CE-O 3.31Å; M136-A239 WeakPolarHBondContact CE-O 3.45Å; M136-A239 HydrophobicContact SD-CB 4.44Å; L143-A239 HydrophobicContact CD2-CB 3.84Å; Y151-A239 HydrophobicContact CD1-CB 4.31Å; Y152-A239 CarbonylContact O-C 3.59Å; Y152-A239 WeakPolarHBondContact O-CA 3.13Å; I153-A239 HydrophobicContact CG1-CB 4.24Å |
| 240 | F | 98.6 | Very high | 94 | Very high | 83 Ų | 83 | 54.6 Ų | 54.6 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 146.8 | 165.6 | 60.6 | -92.3 | 0 | 0 | 0 | 110.3 | P106 V107 Y151 Y152 Y154 I242 | P106-F240 WeakPolarHBondContact O-CA 3.37Å; V107-F240 HydrophobicContact CB-CB 4.26Å; V107-F240 HydrophobicContact CG2-CB 4.09Å; Y151-F240 CarbonylContact C-O 3.49Å; Y151-F240 WeakPolarHBondContact CA-O 3.45Å; Y152-F240 HydrophobicContact CD1-CD1 4.08Å; Y152-F240 AromaticContact CD1-CE1 3.27Å; Y152-F240 HydrophobicContact CD1-CE1 3.27Å; Y152-F240 AromaticContact CD1-CZ 3.6Å; Y152-F240 HydrophobicContact CD1-CZ 3.6Å; Y152-F240 HydrophobicContact CE1-CE1 4.03Å; Y152-F240 HydrophobicContact CE1-CZ 4.41Å; Y152-F240 AromaticContact CG-CE1 3.84Å; Y152-F240 HydrophobicContact CG-CE1 3.84Å; Y152-F240 HydrophobicContact CG-CE2 4.41Å; Y152-F240 AromaticContact CG-CZ 3.69Å; Y152-F240 HydrophobicContact CG-CZ 3.69Å; Y152-F240 PolarHBondContact N-O 3.17Å; Y152-F240 PolarHBondContact O-N 3.38Å; Y154-F240 HydrophobicContact CE1-CD1 4.45Å; F240-I242 HydrophobicContact CD2-CG2 4.22Å; F240-I242 HydrophobicContact CE2-CG2 3.86Å |
| 241 | M | 98.4 | Very high | 95 | Very high | 28 Ų | 28 | 47.5 Ų | 47.5 | 14% | 0.138 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 133.6 | 176.4 | -167.5 | -174.4 | -159.1 | 0 | 0 | 110 | K105 P106 K147 E148 Y150 Y151 | K105-M241 HydrophobicContact CB-CB 4.32Å; K105-M241 WeakPolarHBondContact CD-O 3.44Å; P106-M241 HydrophobicContact CB-CB 4.22Å; P106-M241 HydrophobicContact CG-CB 4.15Å; P106-M241 HydrophobicContact CG-SD 3.96Å; P106-M241 PolarHBondContact O-N 2.83Å; K147-M241 HydrophobicContact CD-CE 4.18Å; K147-M241 HydrophobicContact CD-SD 3.9Å; K147-M241 HydrophobicContact CG-CE 4.11Å; K147-M241 HydrophobicContact CG-SD 4.34Å; E148-M241 WeakPolarHBondContact O-CE 3.21Å; Y150-M241 WeakPolarHBondContact O-CA 3.42Å; Y151-M241 HydrophobicContact CD1-CB 4.23Å; Y151-M241 HydrophobicContact CE1-CB 3.84Å; Y151-M241 HydrophobicContact CE1-CG 4.46Å; Y151-M241 HydrophobicContact CE2-CG 4.34Å |
| 242 | I | 96.3 | Very high | 95.6 | Very high | 111 Ų | 111 | 43.2 Ų | 43.2 | 57% | 0.569 | 21% | 0.209 | S | C | * | . | trans | -90.9 | 0 | 176.3 | 59.3 | 167.6 | 0 | 0 | 0 | 112.7 | K105 Y150 V208 F240 | K105-I242 PolarHBondContact NZ-OXT 2.81Å; Y150-I242 VanDerWaalsContact CB-CG1 3.45Å; Y150-I242 HydrophobicContact CG-CD1 4.48Å; Y150-I242 WeakPolarHBondContact O-CG1 3.49Å; Y150-I242 PolarHBondContact O-N 3.48Å; V208-I242 HydrophobicContact CG1-CD1 3.63Å; F240-I242 HydrophobicContact CD2-CG2 4.22Å; F240-I242 HydrophobicContact CE2-CG2 3.86Å |
Retrieved 242 of 242 residues in 61.6 ms
(Link to these results)