| 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 | 40.6 | Very low | 53.5 | Low | 243 Ų | 243 | 163.5 Ų | 163.5 | 100% | 1.197 | 82% | 0.818 | S | S | * | * | 0 | 127.4 | 0 | -70.6 | 163.2 | 162.7 | 0 | 0 | 107.9 | |||||
| 2 | F | 46.3 | Very low | 53.7 | Low | 215 Ų | 215 | 162.1 Ų | 162.1 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | trans | -106.1 | 122.1 | 175.6 | -80.4 | -81.5 | 0 | 0 | 0 | 110.1 | ||||
| 3 | Q | 46.1 | Very low | 54.1 | Low | 179 Ų | 179 | 161.5 Ų | 161.5 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 128.7 | 173.7 | -72.5 | -73.6 | 11 | 0 | 0 | 110 | T5 | Q3-T5 PolarHBondContact O-N 3.43Š|
| 4 | P | 52.3 | Low | 54.5 | Low | 110 Ų | 110 | 155.9 Ų | 155.9 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 124.8 | 174.9 | 30 | -32.7 | 0 | 0 | 0 | 110.4 | ||
| 5 | T | 53.6 | Low | 55.1 | Low | 122 Ų | 122 | 154.5 Ų | 154.5 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 129.6 | 176.8 | 47.3 | 0 | 0 | 0 | 0 | 111.2 | Q3 K7 | Q3-T5 PolarHBondContact O-N 3.43Å; T5-K7 PolarHBondContact O-N 3.15Å |
| 6 | P | 54.7 | Low | 55.1 | Low | 123 Ų | 123 | 151.8 Ų | 151.8 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 117 | 179.5 | 27.1 | -33.2 | 0 | 0 | 0 | 110.1 | R8 | P6-R8 PolarHBondContact O-N 3.26Š|
| 7 | K | 56.7 | Low | 54.8 | Low | 197 Ų | 197 | 148.8 Ų | 148.8 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | trans | -69.1 | 113 | 176.1 | -65.5 | 177.9 | -178.2 | 176.5 | 0 | 108.6 | T5 C9 | T5-K7 PolarHBondContact O-N 3.15Å; K7-C9 PolarHBondContact O-N 3.35Å; K7-C9 VanDerWaalsContact O-N 3.1Å | ||
| 8 | R | 58.5 | Low | 54.4 | Low | 248 Ų | 248 | 149.5 Ų | 149.5 | 94% | 0.936 | 78% | 0.777 | S | S | * | * | trans | -53.9 | 116.1 | -179 | -67.7 | -178.1 | -177.1 | 158.7 | 0.7 | 110.6 | P6 | P6-R8 PolarHBondContact O-N 3.26Š| ||
| 9 | C | 56.7 | Low | 54.3 | Low | 112 Ų | 112 | 147.8 Ų | 147.8 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | -66.1 | 134.5 | 170.3 | -62.4 | 0 | 0 | 0 | 0 | 109.3 | K7 T11 | K7-C9 PolarHBondContact O-N 3.35Å; K7-C9 VanDerWaalsContact O-N 3.1Å; C9-T11 PolarHBondContact O-N 3.43Å; C9-T11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | F | 52.6 | Low | 53.4 | Low | 179 Ų | 179 | 148.5 Ų | 148.5 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -80.4 | 95.7 | 179.6 | -158.7 | -83 | 0 | 0 | 0 | 109.5 | L15 | F10-L15 HydrophobicContact CE1-CD1 3.95Å; F10-L15 HydrophobicContact CZ-CD1 4.24Å | ||
| 11 | T | 70.4 | Confident | 53.2 | Low | 70 Ų | 70 | 146.9 Ų | 146.9 | 43% | 0.429 | 77% | 0.772 | S | S | . | * | trans | -85.4 | 150.6 | 177.4 | 59.1 | 0 | 0 | 0 | 0 | 111.5 | C9 E13 S14 | C9-T11 PolarHBondContact O-N 3.43Å; C9-T11 VanDerWaalsContact O-N 3.14Å; T11-E13 PolarHBondContact O-N 3.06Å; T11-S14 WeakPolarHBondContact O-CB 3.33Å; T11-S14 PolarHBondContact O-N 3.13Å | ||
| 12 | I | 56.3 | Low | 53.1 | Low | 147 Ų | 147 | 143 Ų | 143 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -68.5 | -27.6 | -174.5 | -52.9 | 175.7 | 0 | 0 | 0 | 111.3 | S14 L15 | I12-S14 PolarHBondContact O-N 3.45Å; I12-L15 WeakPolarHBondContact O-CB 3.35Å; I12-L15 PolarHBondContact O-N 3.49Å; I12-L15 VanDerWaalsContact O-N 3.07Å |
| 13 | E | 58.2 | Low | 53.1 | Low | 154 Ų | 154 | 138.2 Ų | 138.2 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -58 | -29.6 | 176.5 | -62.1 | 160.2 | 151.6 | 0 | 0 | 112.5 | T11 L15 V16 | T11-E13 PolarHBondContact O-N 3.06Å; E13-L15 PolarHBondContact O-N 3.06Å; E13-V16 PolarHBondContact O-N 3.13Å |
| 14 | S | 60.6 | Low | 52.7 | Low | 84 Ų | 84 | 136.2 Ų | 136.2 | 59% | 0.587 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -65.3 | -4.9 | 176.5 | -167.1 | 0 | 0 | 0 | 0 | 114.4 | T11 I12 | T11-S14 WeakPolarHBondContact O-CB 3.33Å; T11-S14 PolarHBondContact O-N 3.13Å; I12-S14 PolarHBondContact O-N 3.45Å |
| 15 | L | 62.4 | Low | 52 | Low | 134 Ų | 134 | 136.4 Ų | 136.4 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -95.3 | -9.3 | 171.7 | -106 | 75.2 | 0 | 0 | 0 | 114.1 | F10 I12 E13 | F10-L15 HydrophobicContact CE1-CD1 3.95Å; F10-L15 HydrophobicContact CZ-CD1 4.24Å; I12-L15 WeakPolarHBondContact O-CB 3.35Å; I12-L15 PolarHBondContact O-N 3.49Å; I12-L15 VanDerWaalsContact O-N 3.07Å; E13-L15 PolarHBondContact O-N 3.06Å |
| 16 | V | 56.2 | Low | 51.1 | Low | 112 Ų | 112 | 141.2 Ų | 141.2 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | trans | -109 | 5 | -165 | -172.7 | 0 | 0 | 0 | 0 | 112.8 | E13 K18 | E13-V16 PolarHBondContact O-N 3.13Å; V16-K18 PolarHBondContact O-N 2.77Å | ||
| 17 | A | 50.4 | Low | 50.5 | Low | 101 Ų | 101 | 140.3 Ų | 140.3 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | trans | -69.2 | 88.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 18 | K | 47.7 | Very low | 49.6 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 70% | 0.7 | 76% | 0.755 | S | S | * | * | trans | -120.3 | 114.6 | -179.1 | -175.5 | 68.3 | 177.4 | 123.8 | 0 | 110.4 | V16 | V16-K18 PolarHBondContact O-N 2.77Š| ||
| 19 | D | 50.8 | Low | 49 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 63% | 0.631 | 75% | 0.752 | S | S | * | * | trans | 55.7 | 116.3 | 162.8 | -48.6 | -17.3 | 0 | 0 | 0 | 120.1 | ||||
| 20 | N | 37.7 | Very low | 48.4 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | -160.5 | 166.8 | 137.5 | -115.7 | -11.3 | 0 | 0 | 0 | 109.7 | ||||
| 21 | P | 47.7 | Very low | 48.1 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | trans | -104.6 | 174.1 | -139.1 | 0.3 | 23.3 | 0 | 0 | 0 | 116.3 | ||||
| 22 | L | 39.9 | Very low | 46.9 | Very low | 163 Ų | 163 | 145 Ų | 145 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -70.3 | 164.3 | 172.2 | -54.9 | 171.3 | 0 | 0 | 0 | 111.8 | ||||
| 23 | P | 45.9 | Very low | 46.3 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | -143 | 147.6 | 85.7 | 34.1 | -17.6 | 0 | 0 | 0 | 116.2 | |||||
| 24 | V | 37.4 | Very low | 45.5 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | 65.6 | 130.4 | 145 | 173.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 25 | S | 37.9 | Very low | 44.4 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | cis | -155.8 | -173.3 | 20.8 | -151.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 26 | R | 33.7 | Very low | 43.6 | Very low | 224 Ų | 224 | 142.8 Ų | 142.8 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | 90.4 | 71.2 | 155.4 | -150.1 | 175.4 | -158.2 | 162.1 | 5.8 | 119.5 | ||||
| 27 | S | 43 | Very low | 43.1 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | 39.9 | 101.5 | 126.2 | 64 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 28 | E | 38.5 | Very low | 42.6 | Very low | 203 Ų | 203 | 148.2 Ų | 148.2 | 95% | 0.949 | 80% | 0.802 | S | S | * | * | -161.2 | 137 | 125.4 | -120.2 | -177.8 | 95.9 | 0 | 0 | 108.7 | |||||
| 29 | E | 44.3 | Very low | 42 | Very low | 187 Ų | 187 | 145 Ų | 145 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -127.8 | 119.1 | -176.8 | -172.3 | 166.4 | -160.4 | 0 | 0 | 111.1 | ||||
| 30 | P | 45.2 | Very low | 41.3 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | trans | -80.3 | 141.2 | -173.9 | 31 | -34.7 | 0 | 0 | 0 | 113 | R32 | P30-R32 PolarHBondContact O-N 3.07Š| ||
| 31 | I | 44.8 | Very low | 41.1 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -52.5 | 125.9 | -174.9 | -62 | 160.1 | 0 | 0 | 0 | 112.5 | ||||
| 32 | R | 45.9 | Very low | 40.7 | Very low | 232 Ų | 232 | 143 Ų | 143 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | trans | -108.5 | 127.9 | 159.9 | -73.2 | -178.8 | 169.2 | 174.3 | -2 | 109.3 | P30 A34 | P30-R32 PolarHBondContact O-N 3.07Å; R32-A34 PolarHBondContact O-N 3.18Å | ||
| 33 | P | 44.8 | Very low | 40.6 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -67.8 | 124.1 | 174.4 | 27.7 | -32.8 | 0 | 0 | 0 | 110 | ||||
| 34 | A | 40.2 | Very low | 40.3 | Very low | 88 Ų | 88 | 145.4 Ų | 145.4 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -73.2 | 143.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R32 L36 | R32-A34 PolarHBondContact O-N 3.18Å; A34-L36 PolarHBondContact O-N 3.41Å | ||
| 35 | A | 37.8 | Very low | 40.6 | Very low | 104 Ų | 104 | 146.2 Ų | 146.2 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -76.3 | 103.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | S37 | A35-S37 PolarHBondContact O-N 3.04Å; A35-S37 VanDerWaalsContact O-N 3.16Å | ||
| 36 | L | 46.2 | Very low | 41.3 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -73.9 | 101.9 | 173.5 | -87.5 | 163.9 | 0 | 0 | 0 | 110.5 | A34 Y38 | A34-L36 PolarHBondContact O-N 3.41Å; L36-Y38 HydrophobicContact CD2-CD2 4.12Å; L36-Y38 HydrophobicContact CD2-CE2 3.98Å | ||
| 37 | S | 45.3 | Very low | 41.6 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -93.5 | 111.5 | 167.1 | -177 | 0 | 0 | 0 | 0 | 109.6 | A35 | A35-S37 PolarHBondContact O-N 3.04Å; A35-S37 VanDerWaalsContact O-N 3.16Å | ||
| 38 | Y | 39 | Very low | 41.6 | Very low | 216 Ų | 216 | 146.6 Ų | 146.6 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | trans | -138.8 | 149.2 | 164 | -82.5 | -72.3 | 0 | 0 | 0 | 110.2 | L36 | L36-Y38 HydrophobicContact CD2-CD2 4.12Å; L36-Y38 HydrophobicContact CD2-CE2 3.98Å | ||
| 39 | A | 36.4 | Very low | 41.5 | Very low | 94 Ų | 94 | 144 Ų | 144 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -103.1 | 143.8 | -162.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 40 | N | 36.2 | Very low | 40.9 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 26.3 | 113.8 | 136.8 | -176.1 | 34.3 | 0 | 0 | 0 | 118.8 | ||||
| 41 | S | 33.3 | Very low | 40.4 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | -152.6 | 145 | 129 | -159.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 42 | S | 39.1 | Very low | 40.3 | Very low | 88 Ų | 88 | 142.8 Ų | 142.8 | 62% | 0.615 | 79% | 0.788 | S | S | * | * | trans | -71 | 141.4 | -172.7 | -45.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 43 | Q | 38.5 | Very low | 39.7 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | -157 | 133.1 | 127.8 | -114.3 | 166.1 | 61.4 | 0 | 0 | 115.2 | |||||
| 44 | M | 38.3 | Very low | 39.5 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -53.1 | 145.6 | -177.3 | 48.2 | -123.8 | 52.7 | 0 | 0 | 118.8 | ||||
| 45 | N | 45.2 | Very low | 39.2 | Very low | 155 Ų | 155 | 137 Ų | 137 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | -170.3 | 166.6 | 112.1 | -97.3 | -40.9 | 0 | 0 | 0 | 113.1 | |||||
| 46 | P | 52.6 | Low | 39.3 | Very low | 95 Ų | 95 | 144.4 Ų | 144.4 | 62% | 0.617 | 80% | 0.797 | S | S | * | * | trans | -103.2 | -161.6 | -155.2 | 41.8 | -39.8 | 0 | 0 | 0 | 116 | ||||
| 47 | F | 38.9 | Very low | 38.8 | Very low | 194 Ų | 194 | 140.5 Ų | 140.5 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | 76.8 | 103.1 | -171.9 | -51.7 | -75.8 | 0 | 0 | 0 | 112.8 | ||||
| 48 | L | 43.4 | Very low | 38.4 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | cis | -149.9 | 153.2 | 43.7 | -137.1 | 73.9 | 0 | 0 | 0 | 112.9 | ||||
| 49 | N | 36.3 | Very low | 38.5 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -68.4 | 149 | 155.7 | -71.1 | -8.9 | 0 | 0 | 0 | 108.7 | ||||
| 50 | G | 31.8 | Very low | 38.4 | Very low | 62 Ų | 62 | 142.6 Ų | 142.6 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | cis | 99.9 | 125.5 | 9.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 51 | F | 35.4 | Very low | 38.3 | Very low | 203 Ų | 203 | 143.4 Ų | 143.4 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -163.7 | 154.2 | 149.9 | -128.2 | -89.5 | 0 | 0 | 0 | 111.7 | ||||
| 52 | H | 41.5 | Very low | 39.4 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -94.3 | 151 | 175.9 | -52.7 | -111.8 | 0 | 0 | 0 | 109.5 | ||||
| 53 | S | 33.9 | Very low | 39.1 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -140.3 | 90.8 | 170.3 | -163.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 54 | S | 39.8 | Very low | 39.4 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | trans | -91.6 | 112.1 | 155.5 | -67 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 55 | G | 33.6 | Very low | 39.7 | Very low | 69 Ų | 69 | 142.8 Ų | 142.8 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -140.9 | 110.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 56 | R | 41.8 | Very low | 39.3 | Very low | 261 Ų | 261 | 144.8 Ų | 144.8 | 99% | 0.985 | 80% | 0.8 | S | S | * | * | trans | -88.7 | 141.7 | 156.2 | -80.7 | -172.6 | 172.2 | -161.4 | 0 | 108.5 | ||||
| 57 | G | 35.2 | Very low | 38.7 | Very low | 74 Ų | 74 | 144.1 Ų | 144.1 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | trans | -172.2 | 100.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 58 | V | 36 | Very low | 38.2 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 87% | 0.873 | 80% | 0.803 | S | S | * | * | trans | -141.7 | 102 | 169 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 59 | Y | 41.1 | Very low | 37.8 | Very low | 232 Ų | 232 | 141.1 Ų | 141.1 | 91% | 0.91 | 80% | 0.804 | S | S | * | * | trans | -158.4 | 152.3 | 163.8 | -101.7 | -85.2 | 0 | 0 | 0 | 104.2 | ||||
| 60 | S | 35.4 | Very low | 38 | Very low | 89 Ų | 89 | 140.3 Ų | 140.3 | 62% | 0.622 | 80% | 0.804 | S | S | * | * | cis | -150.7 | 160.9 | 7.1 | -166.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 61 | N | 33.8 | Very low | 38.2 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -167.9 | 160.6 | 148.2 | -102.8 | -17.7 | 0 | 0 | 0 | 110.2 | ||||
| 62 | P | 55.2 | Low | 38.4 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 64% | 0.643 | 80% | 0.801 | S | S | * | * | trans | -125.4 | -173.5 | -141.9 | 38.6 | -22.1 | 0 | 0 | 0 | 116.1 | ||||
| 63 | D | 32.8 | Very low | 38.1 | Very low | 132 Ų | 132 | 141 Ų | 141 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | 79.7 | 111.1 | 159.1 | -65.4 | -49.8 | 0 | 0 | 0 | 121.7 | ||||
| 64 | L | 45.7 | Very low | 38.1 | Very low | 145 Ų | 145 | 142 Ų | 142 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | 58.4 | 115.2 | 131.6 | -55.8 | 173.4 | 0 | 0 | 0 | 120.4 | ||||
| 65 | V | 44.1 | Very low | 38 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | -162.3 | 163.4 | 102.2 | -92.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 66 | F | 37.4 | Very low | 38.2 | Very low | 198 Ų | 198 | 143.2 Ų | 143.2 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | -61.8 | 168.4 | 176.7 | -85.6 | -126.8 | 0 | 0 | 0 | 114.5 | ||||
| 67 | A | 39.4 | Very low | 37.9 | Very low | 80 Ų | 80 | 134.3 Ų | 134.3 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | cis | -175.2 | -177.2 | -19.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 68 | E | 28.7 | Very low | 38.4 | Very low | 186 Ų | 186 | 137.7 Ų | 137.7 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | 69.5 | 112.3 | 147.3 | -159.1 | 172.1 | 137.7 | 0 | 0 | 121.3 | ||||
| 69 | A | 35.8 | Very low | 39.5 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | trans | -154.8 | 154.7 | 148.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 70 | V | 39.5 | Very low | 39.6 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | -115.3 | 160 | -163.2 | 165 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 71 | S | 35.5 | Very low | 40 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 60% | 0.601 | 78% | 0.78 | S | S | * | * | trans | 84.8 | 144.4 | 168 | -140.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 72 | H | 40.9 | Very low | 40.2 | Very low | 183 Ų | 183 | 133.1 Ų | 133.1 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | cis | -132.5 | 173.6 | 18.1 | -81.6 | -96.6 | 0 | 0 | 0 | 114.4 | ||||
| 73 | Q | 34.4 | Very low | 39.5 | Very low | 186 Ų | 186 | 135 Ų | 135 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -90.7 | 143.2 | 179.2 | -69.2 | 179.2 | -24.3 | 0 | 0 | 114.9 | ||||
| 74 | N | 33.3 | Very low | 40.4 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | 23.1 | 127.2 | 129.7 | -164.7 | 47.1 | 0 | 0 | 0 | 120.8 | |||||
| 75 | N | 38.2 | Very low | 41.3 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 68% | 0.684 | 79% | 0.785 | S | S | * | * | 169.6 | 157.1 | 97.1 | -159.5 | 14.7 | 0 | 0 | 0 | 114.2 | |||||
| 76 | S | 38.4 | Very low | 42 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | 14.8 | 117.8 | 157.6 | 60.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 77 | G | 34.6 | Very low | 42.6 | Very low | 73 Ų | 73 | 129.4 Ų | 129.4 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | 132.1 | 175.6 | 69.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 78 | V | 46.5 | Very low | 42.7 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | cis | -153 | 169.9 | -5.1 | -93.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 79 | P | 59.3 | Low | 43.6 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -105.9 | -161.6 | -156.7 | 42.4 | -38 | 0 | 0 | 0 | 116.7 | ||||
| 80 | V | 41.8 | Very low | 43.7 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | 91.9 | 133.3 | -176.3 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 81 | H | 44 | Very low | 44.1 | Very low | 179 Ų | 179 | 130.9 Ų | 130.9 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | cis | -136.3 | 167 | 25.2 | -136.2 | -73.2 | 0 | 0 | 0 | 113.7 | ||||
| 82 | S | 37.9 | Very low | 45 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -120.8 | 153.4 | 179.2 | -51.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 83 | V | 41 | Very low | 45.4 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | 159.1 | 149 | 140.9 | 155.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 84 | P | 52.4 | Low | 45.7 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | trans | -115.3 | -140.7 | -171.2 | 46.5 | -32.5 | 0 | 0 | 0 | 115 | ||||
| 85 | P | 64.2 | Low | 46 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -117.1 | -140.8 | -139.5 | 32.3 | -4.3 | 0 | 0 | 0 | 112 | ||||
| 86 | P | 58.7 | Low | 46 | Very low | 89 Ų | 89 | 125.9 Ų | 125.9 | 58% | 0.578 | 78% | 0.782 | S | S | * | * | cis | -147 | 178.5 | -6.7 | 44.7 | -24.6 | 0 | 0 | 0 | 120 | ||||
| 87 | H | 50.3 | Low | 46.1 | Very low | 182 Ų | 182 | 129.2 Ų | 129.2 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | 68.1 | 166.9 | 160.1 | -45.7 | -50.5 | 0 | 0 | 0 | 118.6 | ||||
| 88 | A | 41.9 | Very low | 46.7 | Very low | 89 Ų | 89 | 131 Ų | 131 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | cis | -153.8 | 157 | 4.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 89 | L | 46.7 | Very low | 47 | Very low | 170 Ų | 170 | 128.8 Ų | 128.8 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | 7.5 | 142.2 | 149.3 | -57.7 | 167.7 | 0 | 0 | 0 | 124.4 | ||||
| 90 | A | 37.7 | Very low | 46.6 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | 178.6 | 159.7 | 122.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 91 | H | 49.2 | Very low | 47.1 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | trans | -118.9 | 172.5 | 172.8 | -66.3 | -105.8 | 0 | 0 | 0 | 111.5 | ||||
| 92 | P | 53.3 | Low | 47.5 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | -147.4 | -166.3 | 99.9 | 38.9 | -21 | 0 | 0 | 0 | 115.7 | |||||
| 93 | L | 49.6 | Very low | 48.3 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -119.3 | 148.1 | -166.5 | -72.2 | 157.7 | 0 | 0 | 0 | 114.5 | ||||
| 94 | S | 40.3 | Very low | 48.4 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 88% | 0.881 | 77% | 0.772 | S | S | * | * | trans | 178.7 | 170.4 | 146.4 | -82.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 95 | S | 38.9 | Very low | 48.4 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | -172.8 | 125.5 | -56.3 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 96 | S | 39.5 | Very low | 47.6 | Very low | 87 Ų | 87 | 136.4 Ų | 136.4 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | trans | 49.5 | 123.3 | 163.6 | -159.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 97 | H | 39.5 | Very low | 46.9 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | 166.8 | 127 | 106.4 | -82.5 | 103.1 | 0 | 0 | 0 | 113.4 | |||||
| 98 | S | 48.7 | Very low | 46.6 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | 19.7 | 164.1 | 144.8 | -65.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 99 | P | 52.6 | Low | 46.6 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | cis | -143 | 178 | -37.4 | 41.4 | -23.9 | 0 | 0 | 0 | 115.4 | ||||
| 100 | H | 49.8 | Very low | 46.9 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | trans | 54.6 | 100.6 | 159.6 | -59.8 | -61.9 | 0 | 0 | 0 | 121.4 | ||||
| 101 | H | 53.3 | Low | 47.8 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | trans | -110.5 | 72.4 | 151.9 | -71.7 | -70.9 | 0 | 0 | 0 | 111.3 | ||||
| 102 | L | 52.5 | Low | 48.2 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 1.6 | -175.6 | -75.1 | 175 | 0 | 0 | 0 | 115.6 | ||
| 103 | F | 54 | Low | 48.4 | Very low | 208 Ų | 208 | 138 Ų | 138 | 91% | 0.912 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.6 | 50.9 | 176.9 | -84.4 | -83.9 | 0 | 0 | 0 | 112.7 | S105 | F103-S105 PolarHBondContact O-N 3.34Š|
| 104 | A | 43.6 | Very low | 49.3 | Very low | 80 Ų | 80 | 135.9 Ų | 135.9 | 66% | 0.661 | 73% | 0.733 | S | S | * | * | trans | -73.5 | 117 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q106 | A104-Q106 VanDerWaalsContact C-N 3.31Å; A104-Q106 PolarHBondContact O-N 3.39Å | ||
| 105 | S | 51.9 | Low | 50.4 | Low | 125 Ų | 125 | 133.6 Ų | 133.6 | 87% | 0.874 | 72% | 0.715 | S | S | * | * | trans | -70.7 | 86.3 | 175.8 | -171.5 | 0 | 0 | 0 | 0 | 110.2 | F103 Q107 | F103-S105 PolarHBondContact O-N 3.34Å; S105-Q107 PolarHBondContact O-N 3.12Å | ||
| 106 | Q | 47.1 | Very low | 51.8 | Low | 171 Ų | 171 | 135.9 Ų | 135.9 | 80% | 0.799 | 71% | 0.707 | S | S | * | * | trans | -63.9 | 116 | 169.8 | -85.5 | -114.2 | 58 | 0 | 0 | 109.4 | A104 R108 | A104-Q106 VanDerWaalsContact C-N 3.31Å; A104-Q106 PolarHBondContact O-N 3.39Å; Q106-R108 PolarHBondContact O-N 2.76Å | ||
| 107 | Q | 43.8 | Very low | 53.2 | Low | 167 Ų | 167 | 133.9 Ų | 133.9 | 78% | 0.78 | 69% | 0.689 | S | S | * | * | trans | -29.5 | 123.9 | 160 | -76.1 | -77 | 13.2 | 0 | 0 | 111.3 | S105 D109 | S105-Q107 PolarHBondContact O-N 3.12Å; Q107-D109 VanDerWaalsContact C-N 3.28Å; Q107-D109 PolarHBondContact O-N 2.82Å | ||
| 108 | R | 44.4 | Very low | 54.3 | Low | 234 Ų | 234 | 128.5 Ų | 128.5 | 88% | 0.883 | 67% | 0.666 | S | S | * | * | trans | -74 | 88.7 | 170.5 | -76.4 | -171.8 | -179.5 | 173.7 | 2.1 | 108.9 | Q106 P110 | Q106-R108 PolarHBondContact O-N 2.76Å; R108-P110 WeakPolarHBondContact O-CD 3.5Å; R108-P110 VanDerWaalsContact O-N 3.11Å | ||
| 109 | D | 42 | Very low | 54.8 | Low | 116 Ų | 116 | 127.9 Ų | 127.9 | 62% | 0.62 | 65% | 0.65 | S | S | * | * | trans | -48.2 | 115.2 | 164.9 | -123.9 | -49.8 | 0 | 0 | 0 | 109.4 | Q107 S111 | Q107-D109 VanDerWaalsContact C-N 3.28Å; Q107-D109 PolarHBondContact O-N 2.82Å; D109-S111 PolarHBondContact O-N 3.41Å; D109-S111 PolarHBondContact OD1-OG 2.95Å | ||
| 110 | P | 53.3 | Low | 54.9 | Low | 125 Ų | 125 | 131.6 Ų | 131.6 | 81% | 0.812 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -0.6 | 178.3 | -20.3 | 34.3 | 0 | 0 | 0 | 113.1 | R108 | R108-P110 WeakPolarHBondContact O-CD 3.5Å; R108-P110 VanDerWaalsContact O-N 3.11Å |
| 111 | S | 57.1 | Low | 55.1 | Low | 85 Ų | 85 | 131.7 Ų | 131.7 | 59% | 0.594 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 4.6 | -157.3 | -49 | 0 | 0 | 0 | 0 | 114.5 | D109 F113 | D109-S111 PolarHBondContact O-N 3.41Å; D109-S111 PolarHBondContact OD1-OG 2.95Å; S111-F113 PolarHBondContact O-N 3.27Å |
| 112 | T | 56.7 | Low | 55.2 | Low | 93 Ų | 93 | 130.5 Ų | 130.5 | 57% | 0.571 | 64% | 0.635 | S | S | * | * | trans | -73.7 | 62.4 | 169.1 | -51.5 | 0 | 0 | 0 | 0 | 110.4 | Y114 | T112-Y114 VanDerWaalsContact C-N 3.28Å; T112-Y114 HydrophobicContact CG2-CD2 4.1Å; T112-Y114 HydrophobicContact CG2-CE1 4.03Å; T112-Y114 HydrophobicContact CG2-CE2 3.55Å; T112-Y114 PolarHBondContact O-N 3.16Å | ||
| 113 | F | 58.5 | Low | 55.4 | Low | 149 Ų | 149 | 131.8 Ų | 131.8 | 65% | 0.654 | 63% | 0.631 | S | S | * | * | trans | -74.6 | 72.6 | -173.5 | -169.8 | -89.8 | 0 | 0 | 0 | 110 | S111 P115 I118 | S111-F113 PolarHBondContact O-N 3.27Å; F113-P115 WeakPolarHBondContact O-CD 3.31Å; F113-I118 HydrophobicContact CD1-CD1 3.86Å; F113-I118 HydrophobicContact CD2-CD1 3.37Å; F113-I118 HydrophobicContact CE1-CD1 3.75Å; F113-I118 HydrophobicContact CE2-CD1 3.27Å; F113-I118 HydrophobicContact CG-CD1 3.67Å; F113-I118 HydrophobicContact CZ-CD1 3.47Å; F113-I118 VanDerWaalsContact CZ-CD1 3.47Å | ||
| 114 | Y | 67.1 | Low | 55.3 | Low | 122 Ų | 122 | 128.6 Ų | 128.6 | 48% | 0.478 | 62% | 0.623 | S | S | . | * | trans | -58.6 | 106.1 | 176.1 | -69.5 | -63.8 | 0 | 0 | 0 | 110.1 | T112 W116 L117 I118 | T112-Y114 VanDerWaalsContact C-N 3.28Å; T112-Y114 HydrophobicContact CG2-CD2 4.1Å; T112-Y114 HydrophobicContact CG2-CE1 4.03Å; T112-Y114 HydrophobicContact CG2-CE2 3.55Å; T112-Y114 PolarHBondContact O-N 3.16Å; Y114-W116 VanDerWaalsContact C-N 3.3Å; Y114-W116 HydrophobicContact CD1-CZ2 4.12Å; Y114-W116 AromaticContact CD1-NE1 3.61Å; Y114-W116 HydrophobicContact CG-CZ2 4.07Å; Y114-W116 AromaticContact CG-NE1 3.98Å; Y114-W116 PolarHBondContact O-N 2.97Å; Y114-L117 HydrophobicContact CD2-CD2 4.09Å; Y114-L117 WeakPolarHBondContact O-CB 3.42Å; Y114-L117 PolarHBondContact O-N 3.17Å; Y114-I118 PolarHBondContact O-N 3.2Å | ||
| 115 | P | 63.4 | Low | 55.6 | Low | 78 Ų | 78 | 127.5 Ų | 127.5 | 51% | 0.506 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71.6 | -30.9 | -167 | 28.4 | -34.1 | 0 | 0 | 0 | 111.4 | F113 L117 H119 | F113-P115 WeakPolarHBondContact O-CD 3.31Å; P115-L117 VanDerWaalsContact C-N 3.3Å; P115-L117 PolarHBondContact O-N 2.91Å; P115-H119 WeakPolarHBondContact O-CB 3.48Å; P115-H119 PolarHBondContact O-CD2 2.96Å; P115-H119 VanDerWaalsContact O-CD2 3.25Å; P115-H119 PolarHBondContact O-N 3.32Å |
| 116 | W | 68.2 | Low | 55.4 | Low | 157 Ų | 157 | 130.7 Ų | 130.7 | 60% | 0.595 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.2 | -33.9 | 172.9 | 59.4 | -95.6 | 0 | 0 | 0 | 112.6 | Y114 R120 | Y114-W116 VanDerWaalsContact C-N 3.3Å; Y114-W116 HydrophobicContact CD1-CZ2 4.12Å; Y114-W116 AromaticContact CD1-NE1 3.61Å; Y114-W116 HydrophobicContact CG-CZ2 4.07Å; Y114-W116 AromaticContact CG-NE1 3.98Å; Y114-W116 PolarHBondContact O-N 2.97Å; W116-R120 PolarHBondContact O-N 3.32Å |
| 117 | L | 69.2 | Low | 55.5 | Low | 46 Ų | 46 | 132 Ų | 132 | 24% | 0.241 | 62% | 0.618 | C | S | . | * | H | α-helix | trans | -74 | -45.9 | -177.7 | -174.4 | 62.7 | 0 | 0 | 0 | 110.6 | Y114 P115 H119 R120 Y121 | Y114-L117 HydrophobicContact CD2-CD2 4.09Å; Y114-L117 WeakPolarHBondContact O-CB 3.42Å; Y114-L117 PolarHBondContact O-N 3.17Å; P115-L117 VanDerWaalsContact C-N 3.3Å; P115-L117 PolarHBondContact O-N 2.91Å; L117-H119 VanDerWaalsContact C-N 3.31Å; L117-H119 PolarHBondContact O-N 3.09Å; L117-R120 WeakPolarHBondContact O-CA 3.5Å; L117-R120 WeakPolarHBondContact O-CB 3.44Å; L117-R120 PolarHBondContact O-N 3.49Å; L117-Y121 HydrophobicContact CD1-CD2 4.17Å; L117-Y121 HydrophobicContact CD1-CE2 3.43Å; L117-Y121 VanDerWaalsContact CD1-CE2 3.43Å; L117-Y121 HydrophobicContact CD2-CE2 4.09Å; L117-Y121 HydrophobicContact CG-CD2 3.97Å; L117-Y121 HydrophobicContact CG-CE2 3.46Å; L117-Y121 VanDerWaalsContact CG-CE2 3.46Å; L117-Y121 WeakPolarHBondContact O-CD2 3.4Å; L117-Y121 PolarHBondContact O-N 3.45Å |
| 118 | I | 64.1 | Low | 55.4 | Low | 58 Ų | 58 | 133.6 Ų | 133.6 | 30% | 0.297 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.4 | -36.9 | 175.4 | -66.4 | 172.7 | 0 | 0 | 0 | 111.2 | F113 Y114 R120 R122 | F113-I118 HydrophobicContact CD1-CD1 3.86Å; F113-I118 HydrophobicContact CD2-CD1 3.37Å; F113-I118 HydrophobicContact CE1-CD1 3.75Å; F113-I118 HydrophobicContact CE2-CD1 3.27Å; F113-I118 HydrophobicContact CG-CD1 3.67Å; F113-I118 HydrophobicContact CZ-CD1 3.47Å; F113-I118 VanDerWaalsContact CZ-CD1 3.47Å; Y114-I118 PolarHBondContact O-N 3.2Å; I118-R120 VanDerWaalsContact C-N 3.31Å; I118-R120 PolarHBondContact O-N 2.9Å; I118-R122 PolarHBondContact O-N 2.97Å; I118-R122 VanDerWaalsContact O-N 3.17Å |
| 119 | H | 58.4 | Low | 55.1 | Low | 98 Ų | 98 | 131.7 Ų | 131.7 | 45% | 0.454 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.8 | -30.7 | 170.4 | -88.4 | -62.1 | 0 | 0 | 0 | 113.4 | P115 L117 Y123 | P115-H119 WeakPolarHBondContact O-CB 3.48Å; P115-H119 PolarHBondContact O-CD2 2.96Å; P115-H119 VanDerWaalsContact O-CD2 3.25Å; P115-H119 PolarHBondContact O-N 3.32Å; L117-H119 VanDerWaalsContact C-N 3.31Å; L117-H119 PolarHBondContact O-N 3.09Å; H119-Y123 WeakPolarHBondContact O-CD2 3.03Å; H119-Y123 WeakPolarHBondContact O-CE2 3.49Å |
| 120 | R | 55.1 | Low | 55.3 | Low | 176 Ų | 176 | 129.9 Ų | 129.9 | 66% | 0.664 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.7 | -48.2 | 175.9 | -160.1 | 178.2 | -165 | -172.9 | 3.5 | 111.7 | W116 L117 I118 R122 Y123 | W116-R120 PolarHBondContact O-N 3.32Å; L117-R120 WeakPolarHBondContact O-CA 3.5Å; L117-R120 WeakPolarHBondContact O-CB 3.44Å; L117-R120 PolarHBondContact O-N 3.49Å; I118-R120 VanDerWaalsContact C-N 3.31Å; I118-R120 PolarHBondContact O-N 2.9Å; R120-R122 PolarHBondContact O-N 3.44Å; R120-Y123 PolarHBondContact O-N 3.49Å |
| 121 | Y | 53.8 | Low | 54.8 | Low | 153 Ų | 153 | 131 Ų | 131 | 60% | 0.6 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.9 | -35.9 | -179.2 | -68.4 | -53.2 | 0 | 0 | 0 | 113.1 | L117 Y123 L124 G125 | L117-Y121 HydrophobicContact CD1-CD2 4.17Å; L117-Y121 HydrophobicContact CD1-CE2 3.43Å; L117-Y121 VanDerWaalsContact CD1-CE2 3.43Å; L117-Y121 HydrophobicContact CD2-CE2 4.09Å; L117-Y121 HydrophobicContact CG-CD2 3.97Å; L117-Y121 HydrophobicContact CG-CE2 3.46Å; L117-Y121 VanDerWaalsContact CG-CE2 3.46Å; L117-Y121 WeakPolarHBondContact O-CD2 3.4Å; L117-Y121 PolarHBondContact O-N 3.45Å; Y121-Y123 PolarHBondContact O-N 3.37Å; Y121-Y123 VanDerWaalsContact O-N 3.07Å; Y121-L124 PolarHBondContact O-N 2.99Å; Y121-G125 PolarHBondContact O-N 3.07Å |
| 122 | R | 55 | Low | 54.4 | Low | 161 Ų | 161 | 134.7 Ų | 134.7 | 61% | 0.608 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -10.1 | 176.6 | -152.7 | -167.1 | -68.6 | -125.5 | -5.1 | 114.5 | I118 R120 | I118-R122 PolarHBondContact O-N 2.97Å; I118-R122 VanDerWaalsContact O-N 3.17Å; R120-R122 PolarHBondContact O-N 3.44Å |
| 123 | Y | 55.8 | Low | 54 | Low | 165 Ų | 165 | 136.6 Ų | 136.6 | 65% | 0.647 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | 4.2 | 172.1 | -61.6 | -56.4 | 0 | 0 | 0 | 113.8 | H119 R120 Y121 | H119-Y123 WeakPolarHBondContact O-CD2 3.03Å; H119-Y123 WeakPolarHBondContact O-CE2 3.49Å; R120-Y123 PolarHBondContact O-N 3.49Å; Y121-Y123 PolarHBondContact O-N 3.37Å; Y121-Y123 VanDerWaalsContact O-N 3.07Å |
| 124 | L | 52.3 | Low | 53.4 | Low | 141 Ų | 141 | 132.7 Ų | 132.7 | 74% | 0.738 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -124.8 | 14.2 | -178.8 | -146.1 | 71.9 | 0 | 0 | 0 | 112.7 | Y121 | Y121-L124 PolarHBondContact O-N 2.99Š|
| 125 | G | 49.8 | Very low | 52.8 | Low | 57 Ų | 57 | 132.1 Ų | 132.1 | 59% | 0.588 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -90.7 | -7.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | Y121 | Y121-G125 PolarHBondContact O-N 3.07Š|
| 126 | H | 49.2 | Very low | 52.1 | Low | 193 Ų | 193 | 134.8 Ų | 134.8 | 89% | 0.894 | 66% | 0.659 | S | S | * | * | trans | -141.2 | 91.8 | 176 | -68.7 | -78.1 | 0 | 0 | 0 | 110.9 | ||||
| 127 | R | 47.9 | Very low | 51.1 | Low | 198 Ų | 198 | 130.8 Ų | 130.8 | 75% | 0.747 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -136.7 | -16.5 | 160 | -171.9 | 159.2 | -175.9 | 171.4 | 1 | 114.5 | ||
| 128 | F | 42.8 | Very low | 50.4 | Low | 201 Ų | 201 | 136.2 Ų | 136.2 | 88% | 0.882 | 68% | 0.677 | S | S | * | * | trans | -132.6 | 93.2 | 172.1 | -88.5 | -83.6 | 0 | 0 | 0 | 111.6 | ||||
| 129 | Q | 37.5 | Very low | 49.9 | Very low | 193 Ų | 193 | 139.6 Ų | 139.6 | 90% | 0.902 | 70% | 0.695 | S | S | * | * | trans | -149.8 | 99.5 | 144.3 | -169.1 | 145.5 | 56.2 | 0 | 0 | 106.6 | ||||
| 130 | G | 47 | Very low | 49.7 | Very low | 78 Ų | 78 | 141.4 Ų | 141.4 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | trans | -88.1 | 115.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 131 | N | 41.3 | Very low | 49.4 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 80% | 0.802 | 71% | 0.711 | S | S | * | * | trans | -157.1 | 159.3 | 135.9 | -154.3 | 12.8 | 0 | 0 | 0 | 109.3 | ||||
| 132 | E | 48.9 | Very low | 49.2 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | trans | -57.9 | 130.7 | -177.5 | -55.9 | -60.7 | 94.7 | 0 | 0 | 112.9 | ||||
| 133 | T | 49 | Very low | 49.1 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 82% | 0.816 | 70% | 0.697 | S | S | * | * | trans | 172.5 | 141.6 | 132.8 | 28.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 134 | S | 46 | Very low | 49 | Very low | 67 Ų | 67 | 132.4 Ų | 132.4 | 47% | 0.469 | 71% | 0.709 | S | S | . | * | trans | 56.9 | 114.9 | 159.2 | -163.8 | 0 | 0 | 0 | 0 | 120.5 | E136 | S134-E136 VanDerWaalsContact C-N 3.34Å; S134-E136 PolarHBondContact O-N 3.44Å | ||
| 135 | P | 53.5 | Low | 49.3 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 72% | 0.721 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -21.9 | 173.6 | 30.1 | -34.7 | 0 | 0 | 0 | 114.3 | S137 | P135-S137 VanDerWaalsContact C-N 3.32Å; P135-S137 PolarHBondContact O-N 3.2Å |
| 136 | E | 48.8 | Very low | 49.9 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 62% | 0.621 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -41.1 | -179.6 | -78.5 | -79.8 | 106.1 | 0 | 0 | 112.9 | S134 F138 L139 | S134-E136 VanDerWaalsContact C-N 3.34Å; S134-E136 PolarHBondContact O-N 3.44Å; E136-F138 PolarHBondContact O-N 3.17Å; E136-F138 VanDerWaalsContact O-N 3.15Å; E136-L139 PolarHBondContact O-N 2.85Å |
| 137 | S | 48.3 | Very low | 50.7 | Low | 73 Ų | 73 | 131.7 Ų | 131.7 | 51% | 0.51 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -61.9 | -29 | -170.6 | -167 | 0 | 0 | 0 | 0 | 113.4 | P135 L139 | P135-S137 VanDerWaalsContact C-N 3.32Å; P135-S137 PolarHBondContact O-N 3.2Å; S137-L139 PolarHBondContact O-N 3.34Å |
| 138 | F | 53.7 | Low | 51.8 | Low | 160 Ų | 160 | 128.4 Ų | 128.4 | 70% | 0.702 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -72.4 | -24.3 | -176.6 | -76.7 | -86.1 | 0 | 0 | 0 | 114.4 | E136 | E136-F138 PolarHBondContact O-N 3.17Å; E136-F138 VanDerWaalsContact O-N 3.15Å |
| 139 | L | 54.8 | Low | 53.4 | Low | 129 Ų | 129 | 127.6 Ų | 127.6 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -80.2 | -47 | -175.7 | -62 | -178.2 | 0 | 0 | 0 | 111.8 | E136 S137 | E136-L139 PolarHBondContact O-N 2.85Å; S137-L139 PolarHBondContact O-N 3.34Å |
| 140 | L | 53.3 | Low | 55.2 | Low | 137 Ų | 137 | 129.8 Ų | 129.8 | 72% | 0.717 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -73.3 | -44.9 | -173.8 | -60.8 | 177.8 | 0 | 0 | 0 | 112.4 | N142 | L140-N142 PolarHBondContact O-N 3.01Å; L140-N142 VanDerWaalsContact O-N 3.13Å |
| 141 | H | 49.4 | Very low | 56.7 | Low | 160 Ų | 160 | 133.7 Ų | 133.7 | 74% | 0.741 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -9.6 | -165.6 | -134 | -55.3 | 0 | 0 | 0 | 115.2 | ||
| 142 | N | 49.8 | Very low | 58.8 | Low | 73 Ų | 73 | 138 Ų | 138 | 39% | 0.39 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.4 | -8.7 | -169.9 | -149.3 | -11.8 | 0 | 0 | 0 | 113.6 | L140 R146 | L140-N142 PolarHBondContact O-N 3.01Å; L140-N142 VanDerWaalsContact O-N 3.13Å; N142-R146 VanDerWaalsContact CG-CZ 3.48Å; N142-R146 PolarHBondContact ND2-NH1 2.93Å; N142-R146 PolarHBondContact O-NE 3.1Å; N142-R146 PolarHBondContact O-NH2 2.95Å; N142-R146 WeakPolarHBondContact OD1-CD 3.4Å; N142-R146 PolarHBondContact OD1-NE 2.86Å; N142-R146 VanDerWaalsContact OD1-NE 3.13Å; N142-R146 PolarHBondContact OD1-NH1 3.07Å |
| 143 | A | 52.7 | Low | 60.5 | Low | 63 Ų | 63 | 134.5 Ų | 134.5 | 52% | 0.521 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.3 | -52.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 144 | L | 54 | Low | 62.6 | Low | 170 Ų | 170 | 132.7 Ų | 132.7 | 89% | 0.89 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -27.1 | -165.9 | -56.9 | 177.8 | 0 | 0 | 0 | 114.5 | R146 | L144-R146 PolarHBondContact O-N 3.44Š|
| 145 | A | 57.3 | Low | 65 | Low | 65 Ų | 65 | 131.8 Ų | 131.8 | 54% | 0.537 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | -7.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 146 | R | 63.2 | Low | 67.1 | Low | 150 Ų | 150 | 128.9 Ų | 128.9 | 57% | 0.566 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -101.6 | 109.5 | -175.3 | -64.7 | -172.8 | -66.5 | -163.4 | -0.2 | 110.3 | N142 L144 | N142-R146 VanDerWaalsContact CG-CZ 3.48Å; N142-R146 PolarHBondContact ND2-NH1 2.93Å; N142-R146 PolarHBondContact O-NE 3.1Å; N142-R146 PolarHBondContact O-NH2 2.95Å; N142-R146 WeakPolarHBondContact OD1-CD 3.4Å; N142-R146 PolarHBondContact OD1-NE 2.86Å; N142-R146 VanDerWaalsContact OD1-NE 3.13Å; N142-R146 PolarHBondContact OD1-NH1 3.07Å; L144-R146 PolarHBondContact O-N 3.44Å |
| 147 | K | 66.1 | Low | 69.4 | Low | 160 Ų | 160 | 127.6 Ų | 127.6 | 70% | 0.696 | 66% | 0.657 | S | S | * | * | trans | -42.8 | 128.5 | 171.2 | -95.7 | 85.8 | 168.8 | 177.7 | 0 | 109.9 | K149 | K147-K149 PolarHBondContact O-N 3.12Š| ||
| 148 | P | 70.6 | Confident | 71.8 | Confident | 129 Ų | 129 | 127.7 Ų | 127.7 | 84% | 0.838 | 66% | 0.657 | S | S | * | * | trans | -49.9 | 117 | 179.1 | -31.5 | 36.8 | 0 | 0 | 0 | 112.2 | R150 | P148-R150 PolarHBondContact O-N 3.34Š| ||
| 149 | K | 76.4 | Confident | 73.9 | Confident | 184 Ų | 184 | 121.9 Ų | 121.9 | 80% | 0.8 | 63% | 0.632 | S | S | * | * | trans | -76.1 | 108.3 | -174.4 | -148.7 | 162.5 | -174.4 | 172.1 | 0 | 107.2 | K147 I151 | K147-K149 PolarHBondContact O-N 3.12Å; K149-I151 PolarHBondContact O-N 2.97Å | ||
| 150 | R | 75.3 | Confident | 76 | Confident | 240 Ų | 240 | 118.7 Ų | 118.7 | 91% | 0.906 | 62% | 0.616 | S | S | * | * | trans | -44.3 | 115.4 | -174.2 | -72.9 | -175 | -179.3 | 168.2 | 0.3 | 110.9 | P148 R152 | P148-R150 PolarHBondContact O-N 3.34Å; R150-R152 PolarHBondContact O-N 2.88Å | ||
| 151 | I | 79.5 | Confident | 78.1 | Confident | 160 Ų | 160 | 118.3 Ų | 118.3 | 82% | 0.821 | 61% | 0.613 | S | S | * | * | trans | -60.5 | 132.2 | 179.4 | -60 | 175.8 | 0 | 0 | 0 | 108.2 | K149 T153 | K149-I151 PolarHBondContact O-N 2.97Å; I151-T153 PolarHBondContact O-N 3.38Å | ||
| 152 | R | 84.4 | Confident | 80.4 | Confident | 239 Ų | 239 | 117.1 Ų | 117.1 | 90% | 0.902 | 60% | 0.603 | S | S | * | * | trans | -81.2 | 110.6 | 175.9 | -70 | -177.3 | 175 | -175.2 | -1.5 | 108.7 | R150 A154 | R150-R152 PolarHBondContact O-N 2.88Å; R152-A154 PolarHBondContact O-N 3.35Å | ||
| 153 | T | 84.1 | Confident | 82.8 | Confident | 89 Ų | 89 | 113.7 Ų | 113.7 | 55% | 0.546 | 58% | 0.584 | S | S | . | * | trans | -68.1 | 119.9 | 169.8 | 56.2 | 0 | 0 | 0 | 0 | 109.6 | I151 | I151-T153 PolarHBondContact O-N 3.38Š| ||
| 154 | A | 93.3 | Very high | 84.9 | Confident | 95 Ų | 95 | 113.7 Ų | 113.7 | 79% | 0.785 | 57% | 0.573 | S | S | * | * | trans | -79.3 | 157.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | R152 | R152-A154 PolarHBondContact O-N 3.35Š| ||
| 155 | F | 97 | Very high | 87.1 | Confident | 48 Ų | 48 | 110.2 Ų | 110.2 | 21% | 0.211 | 55% | 0.552 | C | S | . | * | trans | -108.7 | 144.7 | 170.4 | -58.3 | -53.6 | 0 | 0 | 0 | 109.3 | Q159 L160 L187 Q191 W195 | F155-Q159 HydrophobicContact CB-CB 4.37Å; F155-L160 HydrophobicContact CB-CD2 3.99Å; F155-L160 HydrophobicContact CB-CG 4.12Å; F155-L160 HydrophobicContact CD2-CD2 4.22Å; F155-L187 HydrophobicContact CD1-CD1 4.12Å; F155-L187 HydrophobicContact CD1-CD2 3.74Å; F155-L187 HydrophobicContact CE1-CD1 4.11Å; F155-L187 HydrophobicContact CE1-CD2 3.7Å; F155-Q191 HydrophobicContact CE1-CB 4.12Å; F155-Q191 HydrophobicContact CE1-CG 4.21Å; F155-Q191 HydrophobicContact CZ-CB 3.99Å; F155-Q191 HydrophobicContact CZ-CG 4.22Å; F155-W195 AromaticContact CD2-CD1 3.79Å; F155-W195 HydrophobicContact CE2-CB 4.33Å; F155-W195 AromaticContact CE2-CD1 3.75Å; F155-W195 HydrophobicContact CE2-CG 4.42Å | ||
| 156 | S | 97.8 | Very high | 89 | Confident | 50 Ų | 50 | 108 Ų | 108 | 35% | 0.35 | 53% | 0.534 | S | S | . | . | trans | -61.2 | 147.1 | 173.9 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | S158 Q159 L160 | S156-S158 PolarHBondContact O-N 3.44Å; S156-S158 VanDerWaalsContact O-N 3.16Å; S156-S158 PolarHBondContact OG-N 3.07Å; S156-S158 PolarHBondContact OG-OG 2.93Å; S156-Q159 WeakPolarHBondContact O-CA 3.28Å; S156-Q159 WeakPolarHBondContact O-CB 3.41Å; S156-Q159 PolarHBondContact O-N 2.89Å; S156-L160 PolarHBondContact O-N 3.41Å | ||
| 157 | P | 97.6 | Very high | 90.6 | Very high | 106 Ų | 106 | 101 Ų | 101 | 69% | 0.688 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -50 | -37.2 | 169.5 | -27.7 | 35.8 | 0 | 0 | 0 | 113.5 | L160 L161 | P157-L160 PolarHBondContact O-N 2.68Å; P157-L161 WeakPolarHBondContact O-CB 3.22Å; P157-L161 PolarHBondContact O-N 2.89Å |
| 158 | S | 97.8 | Very high | 92.2 | Very high | 75 Ų | 75 | 100 Ų | 100 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.7 | -29.9 | 177.4 | 59.6 | 0 | 0 | 0 | 0 | 113.7 | S156 R162 | S156-S158 PolarHBondContact O-N 3.44Å; S156-S158 VanDerWaalsContact O-N 3.16Å; S156-S158 PolarHBondContact OG-N 3.07Å; S156-S158 PolarHBondContact OG-OG 2.93Å; S158-R162 PolarHBondContact O-N 3.46Å |
| 159 | Q | 98.1 | Very high | 93.4 | Very high | 38 Ų | 38 | 101.2 Ų | 101.2 | 18% | 0.178 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -71.9 | -43.9 | 171.1 | -69.9 | 169.9 | -36.4 | 0 | 0 | 110.5 | F155 S156 R162 L163 L185 | F155-Q159 HydrophobicContact CB-CB 4.37Å; S156-Q159 WeakPolarHBondContact O-CA 3.28Å; S156-Q159 WeakPolarHBondContact O-CB 3.41Å; S156-Q159 PolarHBondContact O-N 2.89Å; Q159-R162 PolarHBondContact O-N 3.37Å; Q159-L163 WeakPolarHBondContact O-CB 3.15Å; Q159-L163 WeakPolarHBondContact O-CD1 3.45Å; Q159-L163 VanDerWaalsContact O-CG 3.22Å; Q159-L163 WeakPolarHBondContact O-CG 3.49Å; Q159-L163 PolarHBondContact O-N 3.04Å; Q159-L185 HydrophobicContact CG-CB 4.44Å; Q159-L185 PolarHBondContact NE2-O 2.98Å |
| 160 | L | 98.3 | Very high | 94.4 | Very high | 62 Ų | 62 | 94.8 Ų | 94.8 | 33% | 0.325 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.6 | -48.4 | 177.7 | -67.6 | 174.2 | 0 | 0 | 0 | 111.6 | F155 S156 P157 R162 L163 E164 | F155-L160 HydrophobicContact CB-CD2 3.99Å; F155-L160 HydrophobicContact CB-CG 4.12Å; F155-L160 HydrophobicContact CD2-CD2 4.22Å; S156-L160 PolarHBondContact O-N 3.41Å; P157-L160 PolarHBondContact O-N 2.68Å; L160-R162 VanDerWaalsContact C-N 3.34Å; L160-R162 PolarHBondContact O-N 3.48Å; L160-L163 WeakPolarHBondContact O-CB 3.46Å; L160-L163 PolarHBondContact O-N 3.44Å; L160-L163 VanDerWaalsContact O-N 3.12Å; L160-E164 WeakPolarHBondContact O-CG 3.24Å; L160-E164 PolarHBondContact O-N 3Å |
| 161 | L | 98.3 | Very high | 95.5 | Very high | 128 Ų | 128 | 86.7 Ų | 86.7 | 67% | 0.67 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -54.7 | -47.2 | 177.6 | -171.3 | 82.9 | 0 | 0 | 0 | 112.2 | P157 E164 H165 | P157-L161 WeakPolarHBondContact O-CB 3.22Å; P157-L161 PolarHBondContact O-N 2.89Å; L161-E164 PolarHBondContact O-N 3.21Å; L161-H165 PolarHBondContact O-N 2.83Å |
| 162 | R | 98.1 | Very high | 96.3 | Very high | 136 Ų | 136 | 86 Ų | 86 | 51% | 0.513 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.7 | -32.4 | 178.8 | -73 | -175.2 | 177.8 | -174.4 | 2 | 112.9 | S158 Q159 L160 A166 T184 L185 | S158-R162 PolarHBondContact O-N 3.46Å; Q159-R162 PolarHBondContact O-N 3.37Å; L160-R162 VanDerWaalsContact C-N 3.34Å; L160-R162 PolarHBondContact O-N 3.48Å; R162-A166 WeakPolarHBondContact O-CB 3.45Å; R162-A166 PolarHBondContact O-N 2.91Å; R162-A166 VanDerWaalsContact O-N 3.09Å; R162-T184 PolarHBondContact NH1-O 3.35Å; R162-L185 HydrophobicContact CB-CD2 3.65Å; R162-L185 VanDerWaalsContact CD-CD2 3.46Å; R162-L185 HydrophobicContact CG-CD2 4.18Å |
| 163 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.7 | -36.3 | 173.2 | -71.9 | 163.9 | 0 | 0 | 0 | 111.8 | Q159 L160 F167 L181 L185 L187 V192 W195 F196 | Q159-L163 WeakPolarHBondContact O-CB 3.15Å; Q159-L163 WeakPolarHBondContact O-CD1 3.45Å; Q159-L163 VanDerWaalsContact O-CG 3.22Å; Q159-L163 WeakPolarHBondContact O-CG 3.49Å; Q159-L163 PolarHBondContact O-N 3.04Å; L160-L163 WeakPolarHBondContact O-CB 3.46Å; L160-L163 PolarHBondContact O-N 3.44Å; L160-L163 VanDerWaalsContact O-N 3.12Å; L163-F167 WeakPolarHBondContact O-CB 3.05Å; L163-F167 PolarHBondContact O-N 3.06Å; L163-L181 HydrophobicContact CD2-CD2 4.09Å; L163-L181 HydrophobicContact CD2-CG 4.33Å; L163-L185 HydrophobicContact CD1-CD1 4.32Å; L163-L185 HydrophobicContact CD2-CD1 3.61Å; L163-L185 HydrophobicContact CG-CD1 3.61Å; L163-L187 HydrophobicContact CD1-CD1 4.19Å; L163-V192 HydrophobicContact CD2-CG1 4.4Å; L163-W195 VanDerWaalsContact C-CH2 3.49Å; L163-W195 HydrophobicContact CB-CD2 3.91Å; L163-W195 HydrophobicContact CB-CE3 3.89Å; L163-W195 HydrophobicContact CB-CH2 3.69Å; L163-W195 HydrophobicContact CB-CZ2 3.68Å; L163-W195 HydrophobicContact CB-CZ3 3.79Å; L163-W195 HydrophobicContact CD1-CD2 3.94Å; L163-W195 HydrophobicContact CD1-CG 3.9Å; L163-W195 HydrophobicContact CD2-CD2 4.4Å; L163-W195 HydrophobicContact CD2-CE3 4.25Å; L163-W195 HydrophobicContact CG-CD2 4.3Å; L163-W195 HydrophobicContact CG-CE3 4.46Å; L163-W195 WeakPolarHBondContact O-CH2 3.32Å; L163-W195 WeakPolarHBondContact O-CZ3 3.45Å; L163-F196 HydrophobicContact CD2-CE2 3.94Å |
| 164 | E | 98.4 | Very high | 97.5 | Very high | 63 Ų | 63 | 75 Ų | 75 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72.3 | -45.9 | 177.5 | -68.7 | -171 | 131.4 | 0 | 0 | 112 | L160 L161 A166 F167 E168 W195 R199 | L160-E164 WeakPolarHBondContact O-CG 3.24Å; L160-E164 PolarHBondContact O-N 3Å; L161-E164 PolarHBondContact O-N 3.21Å; E164-A166 VanDerWaalsContact C-N 3.27Å; E164-A166 PolarHBondContact O-N 3.25Å; E164-F167 WeakPolarHBondContact O-CA 3.49Å; E164-F167 WeakPolarHBondContact O-CB 3.46Å; E164-F167 PolarHBondContact O-N 3.48Å; E164-E168 WeakPolarHBondContact O-CG 3.22Å; E164-E168 PolarHBondContact O-N 2.86Å; E164-W195 HydrophobicContact CB-CH2 4.47Å; E164-W195 HydrophobicContact CG-CH2 3.62Å; E164-W195 HydrophobicContact CG-CZ2 3.56Å; E164-R199 IonicContact OE1-CZ 3.16Å; E164-R199 IonicContact OE1-NE 3.03Å; E164-R199 PolarHBondContact OE1-NE 3.17Å; E164-R199 VanDerWaalsContact OE1-NE 3.16Å; E164-R199 IonicContact OE1-NH2 3.74Å |
| 165 | H | 98.3 | Very high | 97.7 | Very high | 98 Ų | 98 | 72.6 Ų | 72.6 | 45% | 0.454 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.3 | -30.5 | 172 | 170 | -131.4 | 0 | 0 | 0 | 113.6 | L161 K169 | L161-H165 PolarHBondContact O-N 2.83Å; H165-K169 PolarHBondContact CE1-NZ 2.95Å; H165-K169 VanDerWaalsContact CE1-NZ 3.34Å; H165-K169 WeakPolarHBondContact NE2-CE 3.45Å; H165-K169 PolarHBondContact NE2-NZ 3.33Å |
| 166 | A | 97.6 | Very high | 97.7 | Very high | 18 Ų | 18 | 73.6 Ų | 73.6 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -72.6 | -39.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R162 E164 K169 N170 L181 F196 | R162-A166 WeakPolarHBondContact O-CB 3.45Å; R162-A166 PolarHBondContact O-N 2.91Å; R162-A166 VanDerWaalsContact O-N 3.09Å; E164-A166 VanDerWaalsContact C-N 3.27Å; E164-A166 PolarHBondContact O-N 3.25Å; A166-K169 PolarHBondContact O-N 3.16Å; A166-N170 PolarHBondContact O-N 3.21Å; A166-L181 HydrophobicContact CB-CD1 4.28Å; A166-L181 HydrophobicContact CB-CD2 3.83Å; A166-F196 HydrophobicContact CB-CZ 4.13Å |
| 167 | F | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.018 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64 | -39 | 178 | -177.4 | -95.6 | 0 | 0 | 0 | 112.9 | L163 E164 K169 N170 H171 W195 F196 R199 R200 F203 | L163-F167 WeakPolarHBondContact O-CB 3.05Å; L163-F167 PolarHBondContact O-N 3.06Å; E164-F167 WeakPolarHBondContact O-CA 3.49Å; E164-F167 WeakPolarHBondContact O-CB 3.46Å; E164-F167 PolarHBondContact O-N 3.48Å; F167-K169 PolarHBondContact O-N 3.37Å; F167-N170 CarbonylContact O-C 3.21Å; F167-N170 PolarHBondContact O-N 3.35Å; F167-H171 AromaticContact CD1-CD2 3.59Å; F167-H171 AromaticContact CD1-NE2 3.99Å; F167-H171 AromaticContact CD2-CD2 4Å; F167-H171 AromaticContact CE1-CD2 3.2Å; F167-H171 WeakPolarHBondContact CE1-CD2 3.22Å; F167-H171 AromaticContact CE1-NE2 3.43Å; F167-H171 WeakPolarHBondContact CE1-NE2 3.32Å; F167-H171 HydrophobicContact CE2-CB 4.13Å; F167-H171 AromaticContact CE2-CD2 3.64Å; F167-H171 AromaticContact CG-CD2 3.97Å; F167-H171 HydrophobicContact CZ-CB 4.36Å; F167-H171 AromaticContact CZ-CD2 3.22Å; F167-H171 WeakPolarHBondContact CZ-CD2 3.23Å; F167-H171 AromaticContact CZ-CG 3.94Å; F167-H171 AromaticContact CZ-NE2 3.78Å; F167-H171 PolarHBondContact O-CD2 2.93Å; F167-H171 PolarHBondContact O-N 3.42Å; F167-W195 HydrophobicContact CB-CH2 4.21Å; F167-W195 HydrophobicContact CB-CZ3 4.05Å; F167-W195 HydrophobicContact CD2-CZ3 4.34Å; F167-W195 HydrophobicContact CG-CZ3 4.43Å; F167-F196 HydrophobicContact CB-CE1 3.97Å; F167-F196 HydrophobicContact CB-CZ 4.28Å; F167-F196 AromaticContact CD2-CD1 3.79Å; F167-F196 HydrophobicContact CD2-CD1 3.79Å; F167-F196 AromaticContact CD2-CE1 3.8Å; F167-F196 HydrophobicContact CD2-CE1 3.8Å; F167-F196 HydrophobicContact CG-CE1 4.38Å; F167-R199 HydrophobicContact CB-CG 4.47Å; F167-R199 HydrophobicContact CD1-CG 3.72Å; F167-R199 HydrophobicContact CD2-CB 3.98Å; F167-R199 HydrophobicContact CD2-CG 3.61Å; F167-R199 HydrophobicContact CE1-CG 3.73Å; F167-R199 HydrophobicContact CE2-CB 3.87Å; F167-R199 HydrophobicContact CE2-CG 3.63Å; F167-R199 HydrophobicContact CG-CB 4.5Å; F167-R199 HydrophobicContact CG-CG 3.66Å; F167-R199 HydrophobicContact CZ-CB 4.3Å; F167-R199 HydrophobicContact CZ-CG 3.69Å; F167-R200 HydrophobicContact CE2-CG 3.79Å; F167-R200 HydrophobicContact CZ-CG 4.29Å; F167-F203 HydrophobicContact CE1-CB 4.26Å; F167-F203 HydrophobicContact CE1-CD2 4.3Å; F167-F203 HydrophobicContact CE1-CG 4.3Å; F167-F203 HydrophobicContact CZ-CB 4.03Å; F167-F203 HydrophobicContact CZ-CG 4.29Å |
| 168 | E | 97.9 | Very high | 97.7 | Very high | 137 Ų | 137 | 71.9 Ų | 71.9 | 64% | 0.64 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.6 | -33.2 | 175.8 | -73.6 | 159.6 | -172.7 | 0 | 0 | 112.8 | E164 | E164-E168 WeakPolarHBondContact O-CG 3.22Å; E164-E168 PolarHBondContact O-N 2.86Å |
| 169 | K | 97.3 | Very high | 97.8 | Very high | 156 Ų | 156 | 74.2 Ų | 74.2 | 68% | 0.678 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -80.8 | -39.7 | 175.7 | -63.9 | 179.1 | -174.7 | -178.9 | 0 | 112.4 | H165 A166 F167 | H165-K169 PolarHBondContact CE1-NZ 2.95Å; H165-K169 VanDerWaalsContact CE1-NZ 3.34Å; H165-K169 WeakPolarHBondContact NE2-CE 3.45Å; H165-K169 PolarHBondContact NE2-NZ 3.33Å; A166-K169 PolarHBondContact O-N 3.16Å; F167-K169 PolarHBondContact O-N 3.37Å |
| 170 | N | 97 | Very high | 97.8 | Very high | 49 Ų | 49 | 78.7 Ų | 78.7 | 26% | 0.262 | 39% | 0.389 | S | S | . | . | trans | -149.8 | 115 | -178.5 | 177.6 | 13.8 | 0 | 0 | 0 | 111.3 | A166 F167 Y172 E177 F196 | A166-N170 PolarHBondContact O-N 3.21Å; F167-N170 CarbonylContact O-C 3.21Å; F167-N170 PolarHBondContact O-N 3.35Å; N170-Y172 PolarHBondContact ND2-O 2.86Å; N170-Y172 PolarHBondContact O-N 3.1Å; N170-Y172 VanDerWaalsContact O-N 3.1Å; N170-Y172 PolarHBondContact OD1-N 3.26Å; N170-E177 PolarHBondContact ND2-OE1 2.79Å; N170-E177 VanDerWaalsContact ND2-OE1 3.09Å; N170-E177 PolarHBondContact ND2-OE2 3.12Å; N170-F196 WeakPolarHBondContact O-CE1 3.2Å | ||
| 171 | H | 97.4 | Very high | 97.8 | Very high | 69 Ų | 69 | 76.8 Ų | 76.8 | 32% | 0.319 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -66.3 | -8.8 | 175.7 | -66 | 152.5 | 0 | 0 | 0 | 114.5 | F167 R200 F203 | F167-H171 AromaticContact CD1-CD2 3.59Å; F167-H171 AromaticContact CD1-NE2 3.99Å; F167-H171 AromaticContact CD2-CD2 4Å; F167-H171 AromaticContact CE1-CD2 3.2Å; F167-H171 WeakPolarHBondContact CE1-CD2 3.22Å; F167-H171 AromaticContact CE1-NE2 3.43Å; F167-H171 WeakPolarHBondContact CE1-NE2 3.32Å; F167-H171 HydrophobicContact CE2-CB 4.13Å; F167-H171 AromaticContact CE2-CD2 3.64Å; F167-H171 AromaticContact CG-CD2 3.97Å; F167-H171 HydrophobicContact CZ-CB 4.36Å; F167-H171 AromaticContact CZ-CD2 3.22Å; F167-H171 WeakPolarHBondContact CZ-CD2 3.23Å; F167-H171 AromaticContact CZ-CG 3.94Å; F167-H171 AromaticContact CZ-NE2 3.78Å; F167-H171 PolarHBondContact O-CD2 2.93Å; F167-H171 PolarHBondContact O-N 3.42Å; H171-R200 WeakPolarHBondContact O-CD 3.29Å; H171-R200 PolarHBondContact O-NH1 2.95Å; H171-F203 AromaticContact CE1-CE1 3.89Å; H171-F203 AromaticContact CE1-CZ 3.9Å |
| 172 | Y | 98 | Very high | 97.8 | Very high | 147 Ų | 147 | 71 Ų | 71 | 58% | 0.576 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -138.1 | 80.4 | -171.6 | -67.6 | -89 | 0 | 0 | 0 | 114.2 | N170 V174 | N170-Y172 PolarHBondContact ND2-O 2.86Å; N170-Y172 PolarHBondContact O-N 3.1Å; N170-Y172 VanDerWaalsContact O-N 3.1Å; N170-Y172 PolarHBondContact OD1-N 3.26Å; Y172-V174 PolarHBondContact O-N 3.33Å |
| 173 | V | 96.9 | Very high | 97.8 | Very high | 6 Ų | 6 | 72.2 Ų | 72.2 | 4% | 0.036 | 36% | 0.361 | C | S | . | . | trans | -69 | 127.2 | 175.7 | -60.6 | 0 | 0 | 0 | 0 | 114.3 | E177 R178 L181 V192 F196 | V173-E177 VanDerWaalsContact CA-OE2 3.29Å; V173-E177 WeakPolarHBondContact CA-OE2 3.36Å; V173-E177 HydrophobicContact CB-CG 4.33Å; V173-E177 HydrophobicContact CG1-CG 4.08Å; V173-R178 HydrophobicContact CB-CB 4.45Å; V173-R178 HydrophobicContact CG2-CB 4.37Å; V173-R178 HydrophobicContact CG2-CG 4.28Å; V173-R178 PolarHBondContact O-NE 2.94Å; V173-R178 PolarHBondContact O-NH2 3.01Å; V173-L181 HydrophobicContact CG1-CD2 4.23Å; V173-V192 HydrophobicContact CG2-CG1 3.89Å; V173-F196 HydrophobicContact CB-CE1 4.39Å; V173-F196 HydrophobicContact CB-CZ 4.4Å; V173-F196 HydrophobicContact CG1-CD1 4.11Å; V173-F196 HydrophobicContact CG1-CD2 4.46Å; V173-F196 HydrophobicContact CG1-CE1 3.51Å; V173-F196 HydrophobicContact CG1-CE2 3.92Å; V173-F196 HydrophobicContact CG1-CZ 3.41Å; V173-F196 VanDerWaalsContact CG1-CZ 3.41Å; V173-F196 HydrophobicContact CG2-CB 4.37Å; V173-F196 HydrophobicContact CG2-CD1 3.95Å; V173-F196 HydrophobicContact CG2-CD2 3.56Å; V173-F196 HydrophobicContact CG2-CE1 4.13Å; V173-F196 HydrophobicContact CG2-CE2 3.78Å; V173-F196 HydrophobicContact CG2-CG 3.67Å; V173-F196 HydrophobicContact CG2-CZ 4.06Å | ||
| 174 | V | 96.9 | Very high | 97.7 | Very high | 90 Ų | 90 | 76 Ų | 76 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | trans | -130 | 162.8 | -174.8 | -68.1 | 0 | 0 | 0 | 0 | 112.6 | Y172 A176 E177 R178 | Y172-V174 PolarHBondContact O-N 3.33Å; V174-A176 PolarHBondContact O-N 3.34Å; V174-E177 PolarHBondContact N-OE2 3.2Å; V174-E177 WeakPolarHBondContact O-CB 3.34Å; V174-E177 PolarHBondContact O-N 3.14Å; V174-E177 VanDerWaalsContact O-N 3.12Å; V174-R178 PolarHBondContact O-N 3Å; V174-R178 VanDerWaalsContact O-N 3.14Å | ||
| 175 | G | 96.4 | Very high | 97.7 | Very high | 45 Ų | 45 | 73.4 Ų | 73.4 | 46% | 0.464 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | 39.6 | -116.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | K179 | G175-K179 PolarHBondContact O-N 3.16Å |
| 176 | A | 97.3 | Very high | 97.7 | Very high | 69 Ų | 69 | 74.2 Ų | 74.2 | 57% | 0.57 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.9 | -42 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V174 R178 K179 Q180 | V174-A176 PolarHBondContact O-N 3.34Å; A176-R178 VanDerWaalsContact C-N 3.3Å; A176-R178 PolarHBondContact O-N 2.97Å; A176-K179 WeakPolarHBondContact O-CB 3.47Å; A176-K179 PolarHBondContact O-N 3.29Å; A176-K179 VanDerWaalsContact O-N 3.07Å; A176-Q180 WeakPolarHBondContact O-CG 3.48Å; A176-Q180 PolarHBondContact O-N 2.93Å |
| 177 | E | 97.4 | Very high | 97.7 | Very high | 66 Ų | 66 | 74.3 Ų | 74.3 | 31% | 0.308 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 178.5 | 179.7 | -168.9 | -157 | 0 | 0 | 110.9 | N170 V173 V174 K179 Q180 L181 | N170-E177 PolarHBondContact ND2-OE1 2.79Å; N170-E177 VanDerWaalsContact ND2-OE1 3.09Å; N170-E177 PolarHBondContact ND2-OE2 3.12Å; V173-E177 VanDerWaalsContact CA-OE2 3.29Å; V173-E177 WeakPolarHBondContact CA-OE2 3.36Å; V173-E177 HydrophobicContact CB-CG 4.33Å; V173-E177 HydrophobicContact CG1-CG 4.08Å; V174-E177 PolarHBondContact N-OE2 3.2Å; V174-E177 WeakPolarHBondContact O-CB 3.34Å; V174-E177 PolarHBondContact O-N 3.14Å; V174-E177 VanDerWaalsContact O-N 3.12Å; E177-K179 PolarHBondContact O-N 3.09Å; E177-Q180 PolarHBondContact O-N 3.34Å; E177-L181 WeakPolarHBondContact O-CB 3.48Å; E177-L181 PolarHBondContact O-N 2.95Å |
| 178 | R | 98.5 | Very high | 97.6 | Very high | 53 Ų | 53 | 77.8 Ų | 77.8 | 20% | 0.2 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 175.4 | -168.9 | -171.7 | -57.4 | 142.8 | 2.7 | 112.2 | V173 V174 A176 A182 E189 V192 | V173-R178 HydrophobicContact CB-CB 4.45Å; V173-R178 HydrophobicContact CG2-CB 4.37Å; V173-R178 HydrophobicContact CG2-CG 4.28Å; V173-R178 PolarHBondContact O-NE 2.94Å; V173-R178 PolarHBondContact O-NH2 3.01Å; V174-R178 PolarHBondContact O-N 3Å; V174-R178 VanDerWaalsContact O-N 3.14Å; A176-R178 VanDerWaalsContact C-N 3.3Å; A176-R178 PolarHBondContact O-N 2.97Å; R178-A182 WeakPolarHBondContact O-CB 3.5Å; R178-A182 PolarHBondContact O-N 2.76Å; R178-E189 WeakPolarHBondContact CD-OE2 3.35Å; R178-E189 HydrophobicContact CG-CB 4.4Å; R178-E189 HydrophobicContact CG-CG 4.26Å; R178-E189 IonicContact NH1-OE2 3.77Å; R178-V192 HydrophobicContact CG-CB 4.3Å; R178-V192 HydrophobicContact CG-CG1 4.03Å |
| 179 | K | 98.4 | Very high | 97.6 | Very high | 125 Ų | 125 | 74.6 Ų | 74.6 | 54% | 0.543 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 178.1 | -74.7 | 178 | 174.6 | -173.2 | 0 | 111.8 | G175 A176 E177 A182 H183 E189 | G175-K179 PolarHBondContact O-N 3.16Å; A176-K179 WeakPolarHBondContact O-CB 3.47Å; A176-K179 PolarHBondContact O-N 3.29Å; A176-K179 VanDerWaalsContact O-N 3.07Å; E177-K179 PolarHBondContact O-N 3.09Å; K179-A182 PolarHBondContact O-N 2.88Å; K179-H183 WeakPolarHBondContact O-CB 3.39Å; K179-H183 PolarHBondContact O-N 3.03Å; K179-E189 WeakPolarHBondContact CE-OE1 3.1Å; K179-E189 HydrophobicContact CG-CG 4.1Å; K179-E189 VanDerWaalsContact CG-OE1 3.24Å; K179-E189 WeakPolarHBondContact CG-OE1 3.19Å |
| 180 | Q | 98.3 | Very high | 97.6 | Very high | 131 Ų | 131 | 71.1 Ų | 71.1 | 61% | 0.612 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.2 | -46.1 | 175.7 | -72.3 | 174.5 | -25.9 | 0 | 0 | 111.5 | A176 E177 H183 T184 | A176-Q180 WeakPolarHBondContact O-CG 3.48Å; A176-Q180 PolarHBondContact O-N 2.93Å; E177-Q180 PolarHBondContact O-N 3.34Å; Q180-H183 PolarHBondContact O-N 3.3Å; Q180-T184 VanDerWaalsContact O-CB 3.23Å; Q180-T184 WeakPolarHBondContact O-CB 3.43Å; Q180-T184 PolarHBondContact O-N 2.92Å; Q180-T184 PolarHBondContact O-OG1 3.17Å |
| 181 | L | 97.9 | Very high | 97.7 | Very high | 23 Ų | 23 | 71 Ų | 71 | 12% | 0.12 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.9 | -36.9 | 179.2 | -172 | 59 | 0 | 0 | 0 | 112.4 | L163 A166 V173 E177 L185 V192 F196 | L163-L181 HydrophobicContact CD2-CD2 4.09Å; L163-L181 HydrophobicContact CD2-CG 4.33Å; A166-L181 HydrophobicContact CB-CD1 4.28Å; A166-L181 HydrophobicContact CB-CD2 3.83Å; V173-L181 HydrophobicContact CG1-CD2 4.23Å; E177-L181 WeakPolarHBondContact O-CB 3.48Å; E177-L181 PolarHBondContact O-N 2.95Å; L181-L185 HydrophobicContact CD1-CD1 3.71Å; L181-L185 HydrophobicContact CD1-CG 4.17Å; L181-L185 HydrophobicContact CG-CD1 4.04Å; L181-L185 WeakPolarHBondContact O-CB 3.42Å; L181-L185 WeakPolarHBondContact O-CG 3.41Å; L181-L185 PolarHBondContact O-N 2.93Å; L181-V192 HydrophobicContact CD2-CG1 4.05Å; L181-V192 HydrophobicContact CG-CG1 4.43Å; L181-F196 HydrophobicContact CD2-CE2 3.71Å; L181-F196 HydrophobicContact CD2-CZ 4.01Å |
| 182 | A | 98.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 67.7 Ų | 67.7 | 5% | 0.05 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.7 | -53.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | R178 K179 T184 L185 S186 L187 E189 V192 | R178-A182 WeakPolarHBondContact O-CB 3.5Å; R178-A182 PolarHBondContact O-N 2.76Å; K179-A182 PolarHBondContact O-N 2.88Å; A182-T184 PolarHBondContact O-N 3.17Å; A182-L185 PolarHBondContact O-N 2.89Å; A182-S186 PolarHBondContact O-N 3.23Å; A182-L187 CarbonylContact C-O 3.35Å; A182-L187 WeakPolarHBondContact CA-O 3.34Å; A182-L187 VanDerWaalsContact CB-O 3.31Å; A182-L187 WeakPolarHBondContact CB-O 3.47Å; A182-L187 PolarHBondContact O-N 3.37Å; A182-L187 VanDerWaalsContact O-O 3.1Å; A182-E189 HydrophobicContact CB-CG 4.24Å; A182-V192 HydrophobicContact CB-CG2 4.04Å |
| 183 | H | 98.3 | Very high | 97.7 | Very high | 161 Ų | 161 | 65.7 Ų | 65.7 | 75% | 0.745 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -58.1 | -49 | 177 | -176.4 | -92 | 0 | 0 | 0 | 112.3 | K179 Q180 L185 S186 | K179-H183 WeakPolarHBondContact O-CB 3.39Å; K179-H183 PolarHBondContact O-N 3.03Å; Q180-H183 PolarHBondContact O-N 3.3Å; H183-L185 PolarHBondContact O-N 3.36Å; H183-L185 VanDerWaalsContact O-N 3.09Å; H183-S186 PolarHBondContact O-N 2.85Å; H183-S186 VanDerWaalsContact O-N 3.17Å |
| 184 | T | 97.8 | Very high | 97.7 | Very high | 79 Ų | 79 | 68.8 Ų | 68.8 | 49% | 0.485 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.3 | -14.9 | -176.4 | -55.8 | 0 | 0 | 0 | 0 | 114 | R162 Q180 A182 | R162-T184 PolarHBondContact NH1-O 3.35Å; Q180-T184 VanDerWaalsContact O-CB 3.23Å; Q180-T184 WeakPolarHBondContact O-CB 3.43Å; Q180-T184 PolarHBondContact O-N 2.92Å; Q180-T184 PolarHBondContact O-OG1 3.17Å; A182-T184 PolarHBondContact O-N 3.17Å |
| 185 | L | 97.6 | Very high | 97.8 | Very high | 10 Ų | 10 | 65.6 Ų | 65.6 | 5% | 0.052 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 0.8 | -179.9 | -59.7 | -179.4 | 0 | 0 | 0 | 113.5 | Q159 R162 L163 L181 A182 H183 L187 | Q159-L185 HydrophobicContact CG-CB 4.44Å; Q159-L185 PolarHBondContact NE2-O 2.98Å; R162-L185 HydrophobicContact CB-CD2 3.65Å; R162-L185 VanDerWaalsContact CD-CD2 3.46Å; R162-L185 HydrophobicContact CG-CD2 4.18Å; L163-L185 HydrophobicContact CD1-CD1 4.32Å; L163-L185 HydrophobicContact CD2-CD1 3.61Å; L163-L185 HydrophobicContact CG-CD1 3.61Å; L181-L185 HydrophobicContact CD1-CD1 3.71Å; L181-L185 HydrophobicContact CD1-CG 4.17Å; L181-L185 HydrophobicContact CG-CD1 4.04Å; L181-L185 WeakPolarHBondContact O-CB 3.42Å; L181-L185 WeakPolarHBondContact O-CG 3.41Å; L181-L185 PolarHBondContact O-N 2.93Å; A182-L185 PolarHBondContact O-N 2.89Å; H183-L185 PolarHBondContact O-N 3.36Å; H183-L185 VanDerWaalsContact O-N 3.09Å; L185-L187 VanDerWaalsContact C-N 3.26Å; L185-L187 HydrophobicContact CB-CB 4.42Å; L185-L187 HydrophobicContact CB-CD1 4Å; L185-L187 HydrophobicContact CB-CG 3.93Å; L185-L187 HydrophobicContact CD1-CD1 4.23Å; L185-L187 PolarHBondContact O-N 2.77Å |
| 186 | S | 97.9 | Very high | 97.9 | Very high | 114 Ų | 114 | 63.5 Ų | 63.5 | 80% | 0.797 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 42.9 | -169.6 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | A182 H183 | A182-S186 PolarHBondContact O-N 3.23Å; H183-S186 PolarHBondContact O-N 2.85Å; H183-S186 VanDerWaalsContact O-N 3.17Å |
| 187 | L | 97.1 | Very high | 97.9 | Very high | 21 Ų | 21 | 64.8 Ų | 64.8 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | trans | -118 | 157.2 | 178.3 | -65.3 | -178.2 | 0 | 0 | 0 | 110.8 | F155 L163 A182 L185 Q191 V192 | F155-L187 HydrophobicContact CD1-CD1 4.12Å; F155-L187 HydrophobicContact CD1-CD2 3.74Å; F155-L187 HydrophobicContact CE1-CD1 4.11Å; F155-L187 HydrophobicContact CE1-CD2 3.7Å; L163-L187 HydrophobicContact CD1-CD1 4.19Å; A182-L187 CarbonylContact C-O 3.35Å; A182-L187 WeakPolarHBondContact CA-O 3.34Å; A182-L187 VanDerWaalsContact CB-O 3.31Å; A182-L187 WeakPolarHBondContact CB-O 3.47Å; A182-L187 PolarHBondContact O-N 3.37Å; A182-L187 VanDerWaalsContact O-O 3.1Å; L185-L187 VanDerWaalsContact C-N 3.26Å; L185-L187 HydrophobicContact CB-CB 4.42Å; L185-L187 HydrophobicContact CB-CD1 4Å; L185-L187 HydrophobicContact CB-CG 3.93Å; L185-L187 HydrophobicContact CD1-CD1 4.23Å; L185-L187 PolarHBondContact O-N 2.77Å; L187-Q191 HydrophobicContact CB-CB 4.5Å; L187-V192 HydrophobicContact CB-CG2 4.15Å; L187-V192 HydrophobicContact CD1-CG2 4.45Å | ||
| 188 | T | 97.9 | Very high | 97.9 | Very high | 77 Ų | 77 | 66.4 Ų | 66.4 | 47% | 0.472 | 34% | 0.343 | S | S | . | . | trans | -76.5 | 150.4 | 169.7 | 62.3 | 0 | 0 | 0 | 0 | 111.6 | T190 Q191 V192 | T188-T190 PolarHBondContact O-N 2.77Å; T188-T190 VanDerWaalsContact O-N 3.1Å; T188-Q191 PolarHBondContact O-N 3.43Å; T188-Q191 WeakPolarHBondContact OG1-CB 3.4Å; T188-Q191 WeakPolarHBondContact OG1-CG 3.34Å; T188-Q191 PolarHBondContact OG1-N 3.15Å; T188-Q191 VanDerWaalsContact OG1-N 3.12Å; T188-Q191 PolarHBondContact OG1-OE1 3.37Å; T188-V192 PolarHBondContact O-N 3.18Å | ||
| 189 | E | 98 | Very high | 97.9 | Very high | 69 Ų | 69 | 65.8 Ų | 65.8 | 32% | 0.322 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -51 | -35.1 | 170.3 | -79.9 | -162.6 | -117.4 | 0 | 0 | 112.5 | R178 K179 A182 K193 | R178-E189 WeakPolarHBondContact CD-OE2 3.35Å; R178-E189 HydrophobicContact CG-CB 4.4Å; R178-E189 HydrophobicContact CG-CG 4.26Å; R178-E189 IonicContact NH1-OE2 3.77Å; K179-E189 WeakPolarHBondContact CE-OE1 3.1Å; K179-E189 HydrophobicContact CG-CG 4.1Å; K179-E189 VanDerWaalsContact CG-OE1 3.24Å; K179-E189 WeakPolarHBondContact CG-OE1 3.19Å; A182-E189 HydrophobicContact CB-CG 4.24Å; E189-K193 VanDerWaalsContact O-CB 3.22Å; E189-K193 WeakPolarHBondContact O-CB 3.14Å; E189-K193 PolarHBondContact O-N 3.5Å |
| 190 | T | 97.3 | Very high | 97.9 | Very high | 83 Ų | 83 | 61.9 Ų | 61.9 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.7 | -40 | 178.3 | -70.1 | 0 | 0 | 0 | 0 | 112.2 | T188 K193 V194 | T188-T190 PolarHBondContact O-N 2.77Å; T188-T190 VanDerWaalsContact O-N 3.1Å; T190-K193 PolarHBondContact O-N 3.14Å; T190-V194 HydrophobicContact CG2-CG2 4.47Å; T190-V194 WeakPolarHBondContact O-CB 3.3Å; T190-V194 VanDerWaalsContact O-CG2 3.28Å; T190-V194 WeakPolarHBondContact O-CG2 3.42Å; T190-V194 PolarHBondContact O-N 2.94Å |
| 191 | Q | 97.4 | Very high | 97.8 | Very high | 47 Ų | 47 | 59.3 Ų | 59.3 | 22% | 0.22 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63 | -45 | 172.9 | -78.7 | 160.5 | -53.4 | 0 | 0 | 111.3 | F155 L187 T188 V194 W195 | F155-Q191 HydrophobicContact CE1-CB 4.12Å; F155-Q191 HydrophobicContact CE1-CG 4.21Å; F155-Q191 HydrophobicContact CZ-CB 3.99Å; F155-Q191 HydrophobicContact CZ-CG 4.22Å; L187-Q191 HydrophobicContact CB-CB 4.5Å; T188-Q191 PolarHBondContact O-N 3.43Å; T188-Q191 WeakPolarHBondContact OG1-CB 3.4Å; T188-Q191 WeakPolarHBondContact OG1-CG 3.34Å; T188-Q191 PolarHBondContact OG1-N 3.15Å; T188-Q191 VanDerWaalsContact OG1-N 3.12Å; T188-Q191 PolarHBondContact OG1-OE1 3.37Å; Q191-V194 PolarHBondContact O-N 2.84Å; Q191-W195 WeakPolarHBondContact O-CB 3.38Å; Q191-W195 PolarHBondContact O-N 3.32Å |
| 192 | V | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.2 | -49 | 175.3 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | L163 V173 R178 L181 A182 L187 T188 V194 W195 F196 | L163-V192 HydrophobicContact CD2-CG1 4.4Å; V173-V192 HydrophobicContact CG2-CG1 3.89Å; R178-V192 HydrophobicContact CG-CB 4.3Å; R178-V192 HydrophobicContact CG-CG1 4.03Å; L181-V192 HydrophobicContact CD2-CG1 4.05Å; L181-V192 HydrophobicContact CG-CG1 4.43Å; A182-V192 HydrophobicContact CB-CG2 4.04Å; L187-V192 HydrophobicContact CB-CG2 4.15Å; L187-V192 HydrophobicContact CD1-CG2 4.45Å; T188-V192 PolarHBondContact O-N 3.18Å; V192-V194 VanDerWaalsContact C-N 3.34Å; V192-V194 PolarHBondContact O-N 2.77Å; V192-W195 PolarHBondContact O-N 3.44Å; V192-F196 HydrophobicContact CG1-CD2 3.85Å; V192-F196 HydrophobicContact CG1-CE2 3.99Å; V192-F196 WeakPolarHBondContact O-CD2 3.43Å; V192-F196 PolarHBondContact O-N 2.86Å |
| 193 | K | 97.6 | Very high | 97.6 | Very high | 104 Ų | 104 | 66.4 Ų | 66.4 | 45% | 0.452 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.7 | -44.6 | 176.8 | -177.2 | -179.8 | 69.7 | -175.6 | 0 | 112.6 | E189 T190 Q197 | E189-K193 VanDerWaalsContact O-CB 3.22Å; E189-K193 WeakPolarHBondContact O-CB 3.14Å; E189-K193 PolarHBondContact O-N 3.5Å; T190-K193 PolarHBondContact O-N 3.14Å; K193-Q197 WeakPolarHBondContact O-CB 3.46Å; K193-Q197 PolarHBondContact O-N 2.89Å; K193-Q197 VanDerWaalsContact O-N 3.1Å |
| 194 | V | 97.7 | Very high | 97.4 | Very high | 72 Ų | 72 | 65.5 Ų | 65.5 | 44% | 0.436 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.1 | -41.9 | 178.2 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | T190 Q191 V192 Q197 N198 | T190-V194 HydrophobicContact CG2-CG2 4.47Å; T190-V194 WeakPolarHBondContact O-CB 3.3Å; T190-V194 VanDerWaalsContact O-CG2 3.28Å; T190-V194 WeakPolarHBondContact O-CG2 3.42Å; T190-V194 PolarHBondContact O-N 2.94Å; Q191-V194 PolarHBondContact O-N 2.84Å; V192-V194 VanDerWaalsContact C-N 3.34Å; V192-V194 PolarHBondContact O-N 2.77Å; V194-Q197 PolarHBondContact O-N 3.1Å; V194-N198 WeakPolarHBondContact O-CB 3.49Å; V194-N198 VanDerWaalsContact O-CG 3.25Å; V194-N198 PolarHBondContact O-N 2.95Å; V194-N198 PolarHBondContact O-ND2 3.17Å |
| 195 | W | 97.9 | Very high | 97.2 | Very high | 22 Ų | 22 | 68.6 Ų | 68.6 | 8% | 0.083 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 176.5 | -173.7 | 100 | 0 | 0 | 0 | 111.1 | F155 L163 E164 F167 Q191 V192 Q197 N198 R199 | F155-W195 AromaticContact CD2-CD1 3.79Å; F155-W195 HydrophobicContact CE2-CB 4.33Å; F155-W195 AromaticContact CE2-CD1 3.75Å; F155-W195 HydrophobicContact CE2-CG 4.42Å; L163-W195 VanDerWaalsContact C-CH2 3.49Å; L163-W195 HydrophobicContact CB-CD2 3.91Å; L163-W195 HydrophobicContact CB-CE3 3.89Å; L163-W195 HydrophobicContact CB-CH2 3.69Å; L163-W195 HydrophobicContact CB-CZ2 3.68Å; L163-W195 HydrophobicContact CB-CZ3 3.79Å; L163-W195 HydrophobicContact CD1-CD2 3.94Å; L163-W195 HydrophobicContact CD1-CG 3.9Å; L163-W195 HydrophobicContact CD2-CD2 4.4Å; L163-W195 HydrophobicContact CD2-CE3 4.25Å; L163-W195 HydrophobicContact CG-CD2 4.3Å; L163-W195 HydrophobicContact CG-CE3 4.46Å; L163-W195 WeakPolarHBondContact O-CH2 3.32Å; L163-W195 WeakPolarHBondContact O-CZ3 3.45Å; E164-W195 HydrophobicContact CB-CH2 4.47Å; E164-W195 HydrophobicContact CG-CH2 3.62Å; E164-W195 HydrophobicContact CG-CZ2 3.56Å; F167-W195 HydrophobicContact CB-CH2 4.21Å; F167-W195 HydrophobicContact CB-CZ3 4.05Å; F167-W195 HydrophobicContact CD2-CZ3 4.34Å; F167-W195 HydrophobicContact CG-CZ3 4.43Å; Q191-W195 WeakPolarHBondContact O-CB 3.38Å; Q191-W195 PolarHBondContact O-N 3.32Å; V192-W195 PolarHBondContact O-N 3.44Å; W195-Q197 PolarHBondContact O-N 3.05Å; W195-N198 CarbonylContact O-C 3.59Å; W195-N198 PolarHBondContact O-N 3.05Å; W195-N198 VanDerWaalsContact O-N 3.15Å; W195-R199 HydrophobicContact CD2-CB 4.49Å; W195-R199 HydrophobicContact CE3-CB 4.02Å; W195-R199 HydrophobicContact CH2-CB 3.81Å; W195-R199 HydrophobicContact CH2-CG 3.55Å; W195-R199 HydrophobicContact CZ2-CB 4.3Å; W195-R199 HydrophobicContact CZ2-CG 4.2Å; W195-R199 HydrophobicContact CZ3-CB 3.66Å; W195-R199 HydrophobicContact CZ3-CG 3.81Å; W195-R199 PolarHBondContact O-N 3.43Å |
| 196 | F | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 71.8 Ų | 71.8 | 0% | 0.004 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 177.7 | -91 | -97.9 | 0 | 0 | 0 | 112.6 | L163 A166 F167 N170 V173 L181 V192 N198 R199 R200 | L163-F196 HydrophobicContact CD2-CE2 3.94Å; A166-F196 HydrophobicContact CB-CZ 4.13Å; F167-F196 HydrophobicContact CB-CE1 3.97Å; F167-F196 HydrophobicContact CB-CZ 4.28Å; F167-F196 AromaticContact CD2-CD1 3.79Å; F167-F196 HydrophobicContact CD2-CD1 3.79Å; F167-F196 AromaticContact CD2-CE1 3.8Å; F167-F196 HydrophobicContact CD2-CE1 3.8Å; F167-F196 HydrophobicContact CG-CE1 4.38Å; N170-F196 WeakPolarHBondContact O-CE1 3.2Å; V173-F196 HydrophobicContact CB-CE1 4.39Å; V173-F196 HydrophobicContact CB-CZ 4.4Å; V173-F196 HydrophobicContact CG1-CD1 4.11Å; V173-F196 HydrophobicContact CG1-CD2 4.46Å; V173-F196 HydrophobicContact CG1-CE1 3.51Å; V173-F196 HydrophobicContact CG1-CE2 3.92Å; V173-F196 HydrophobicContact CG1-CZ 3.41Å; V173-F196 VanDerWaalsContact CG1-CZ 3.41Å; V173-F196 HydrophobicContact CG2-CB 4.37Å; V173-F196 HydrophobicContact CG2-CD1 3.95Å; V173-F196 HydrophobicContact CG2-CD2 3.56Å; V173-F196 HydrophobicContact CG2-CE1 4.13Å; V173-F196 HydrophobicContact CG2-CE2 3.78Å; V173-F196 HydrophobicContact CG2-CG 3.67Å; V173-F196 HydrophobicContact CG2-CZ 4.06Å; L181-F196 HydrophobicContact CD2-CE2 3.71Å; L181-F196 HydrophobicContact CD2-CZ 4.01Å; V192-F196 HydrophobicContact CG1-CD2 3.85Å; V192-F196 HydrophobicContact CG1-CE2 3.99Å; V192-F196 WeakPolarHBondContact O-CD2 3.43Å; V192-F196 PolarHBondContact O-N 2.86Å; F196-N198 VanDerWaalsContact C-N 3.34Å; F196-N198 PolarHBondContact O-N 3.34Å; F196-R199 PolarHBondContact O-N 2.91Å; F196-R200 WeakPolarHBondContact O-CG 3.22Å; F196-R200 PolarHBondContact O-N 3.35Å |
| 197 | Q | 98.2 | Very high | 96.3 | Very high | 96 Ų | 96 | 71.2 Ų | 71.2 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 174 | -175 | 56.4 | 39.6 | 0 | 0 | 112.1 | K193 V194 W195 T201 | K193-Q197 WeakPolarHBondContact O-CB 3.46Å; K193-Q197 PolarHBondContact O-N 2.89Å; K193-Q197 VanDerWaalsContact O-N 3.1Å; V194-Q197 PolarHBondContact O-N 3.1Å; W195-Q197 PolarHBondContact O-N 3.05Å; Q197-T201 WeakPolarHBondContact O-CB 3.37Å; Q197-T201 PolarHBondContact O-N 3.09Å; Q197-T201 VanDerWaalsContact O-N 3.14Å; Q197-T201 PolarHBondContact O-OG1 3.28Å |
| 198 | N | 97.6 | Very high | 95.7 | Very high | 100 Ų | 100 | 76 Ų | 76 | 54% | 0.535 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.1 | -41.3 | 175.1 | -68.8 | -20.3 | 0 | 0 | 0 | 111.8 | V194 W195 F196 T201 K202 | V194-N198 WeakPolarHBondContact O-CB 3.49Å; V194-N198 VanDerWaalsContact O-CG 3.25Å; V194-N198 PolarHBondContact O-N 2.95Å; V194-N198 PolarHBondContact O-ND2 3.17Å; W195-N198 CarbonylContact O-C 3.59Å; W195-N198 PolarHBondContact O-N 3.05Å; W195-N198 VanDerWaalsContact O-N 3.15Å; F196-N198 VanDerWaalsContact C-N 3.34Å; F196-N198 PolarHBondContact O-N 3.34Å; N198-T201 WeakPolarHBondContact O-CB 3.3Å; N198-T201 PolarHBondContact O-N 3.29Å; N198-K202 PolarHBondContact O-N 3.31Å |
| 199 | R | 98.1 | Very high | 94.9 | Very high | 40 Ų | 40 | 76.1 Ų | 76.1 | 15% | 0.151 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 178.7 | -169.3 | 67.7 | 178.5 | 87.4 | -2 | 112 | E164 F167 W195 F196 T201 K202 F203 | E164-R199 IonicContact OE1-CZ 3.16Å; E164-R199 IonicContact OE1-NE 3.03Å; E164-R199 PolarHBondContact OE1-NE 3.17Å; E164-R199 VanDerWaalsContact OE1-NE 3.16Å; E164-R199 IonicContact OE1-NH2 3.74Å; F167-R199 HydrophobicContact CB-CG 4.47Å; F167-R199 HydrophobicContact CD1-CG 3.72Å; F167-R199 HydrophobicContact CD2-CB 3.98Å; F167-R199 HydrophobicContact CD2-CG 3.61Å; F167-R199 HydrophobicContact CE1-CG 3.73Å; F167-R199 HydrophobicContact CE2-CB 3.87Å; F167-R199 HydrophobicContact CE2-CG 3.63Å; F167-R199 HydrophobicContact CG-CB 4.5Å; F167-R199 HydrophobicContact CG-CG 3.66Å; F167-R199 HydrophobicContact CZ-CB 4.3Å; F167-R199 HydrophobicContact CZ-CG 3.69Å; W195-R199 HydrophobicContact CD2-CB 4.49Å; W195-R199 HydrophobicContact CE3-CB 4.02Å; W195-R199 HydrophobicContact CH2-CB 3.81Å; W195-R199 HydrophobicContact CH2-CG 3.55Å; W195-R199 HydrophobicContact CZ2-CB 4.3Å; W195-R199 HydrophobicContact CZ2-CG 4.2Å; W195-R199 HydrophobicContact CZ3-CB 3.66Å; W195-R199 HydrophobicContact CZ3-CG 3.81Å; W195-R199 PolarHBondContact O-N 3.43Å; F196-R199 PolarHBondContact O-N 2.91Å; R199-T201 VanDerWaalsContact C-N 3.3Å; R199-T201 PolarHBondContact O-N 2.95Å; R199-K202 PolarHBondContact O-N 2.89Å; R199-F203 VanDerWaalsContact O-CB 3.32Å; R199-F203 WeakPolarHBondContact O-CB 3.42Å; R199-F203 PolarHBondContact O-N 3.43Å |
| 200 | R | 97.8 | Very high | 93.8 | Very high | 44 Ų | 44 | 80.4 Ų | 80.4 | 17% | 0.166 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.2 | -40.7 | 169.7 | -75 | -168.4 | -66.5 | -90.8 | 3.6 | 112.4 | F167 H171 F196 F203 K204 | F167-R200 HydrophobicContact CE2-CG 3.79Å; F167-R200 HydrophobicContact CZ-CG 4.29Å; H171-R200 WeakPolarHBondContact O-CD 3.29Å; H171-R200 PolarHBondContact O-NH1 2.95Å; F196-R200 WeakPolarHBondContact O-CG 3.22Å; F196-R200 PolarHBondContact O-N 3.35Å; R200-F203 PolarHBondContact O-N 2.83Å; R200-K204 WeakPolarHBondContact O-CB 3.47Å; R200-K204 PolarHBondContact O-N 3.47Å |
| 201 | T | 97.2 | Very high | 92.6 | Very high | 76 Ų | 76 | 83 Ų | 83 | 47% | 0.466 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 179.1 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | Q197 N198 R199 R205 | Q197-T201 WeakPolarHBondContact O-CB 3.37Å; Q197-T201 PolarHBondContact O-N 3.09Å; Q197-T201 VanDerWaalsContact O-N 3.14Å; Q197-T201 PolarHBondContact O-OG1 3.28Å; N198-T201 WeakPolarHBondContact O-CB 3.3Å; N198-T201 PolarHBondContact O-N 3.29Å; R199-T201 VanDerWaalsContact C-N 3.3Å; R199-T201 PolarHBondContact O-N 2.95Å; T201-R205 PolarHBondContact O-N 3.47Å |
| 202 | K | 95.7 | Very high | 90.8 | Very high | 91 Ų | 91 | 82.1 Ų | 82.1 | 40% | 0.396 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.8 | -50.8 | 171.2 | -173.7 | -167.6 | 169.4 | -173.3 | 0 | 110.8 | N198 R199 K204 R205 Q206 | N198-K202 PolarHBondContact O-N 3.31Å; R199-K202 PolarHBondContact O-N 2.89Å; K202-K204 PolarHBondContact O-N 2.85Å; K202-R205 PolarHBondContact O-N 3.4Å; K202-R205 VanDerWaalsContact O-N 3.12Å; K202-Q206 HydrophobicContact CG-CG 4.47Å; K202-Q206 WeakPolarHBondContact O-CG 3.47Å; K202-Q206 PolarHBondContact O-N 3.5Å |
| 203 | F | 95.9 | Very high | 88.5 | Confident | 87 Ų | 87 | 86.8 Ų | 86.8 | 38% | 0.382 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.6 | -48 | -179.3 | 179.7 | -99.5 | 0 | 0 | 0 | 112.5 | F167 H171 R199 R200 R205 Q206 K207 | F167-F203 HydrophobicContact CE1-CB 4.26Å; F167-F203 HydrophobicContact CE1-CD2 4.3Å; F167-F203 HydrophobicContact CE1-CG 4.3Å; F167-F203 HydrophobicContact CZ-CB 4.03Å; F167-F203 HydrophobicContact CZ-CG 4.29Å; H171-F203 AromaticContact CE1-CE1 3.89Å; H171-F203 AromaticContact CE1-CZ 3.9Å; R199-F203 VanDerWaalsContact O-CB 3.32Å; R199-F203 WeakPolarHBondContact O-CB 3.42Å; R199-F203 PolarHBondContact O-N 3.43Å; R200-F203 PolarHBondContact O-N 2.83Å; F203-R205 VanDerWaalsContact C-N 3.26Å; F203-R205 PolarHBondContact O-N 2.81Å; F203-Q206 PolarHBondContact O-N 2.75Å; F203-K207 PolarHBondContact O-N 3.39Å |
| 204 | K | 95 | Very high | 86.4 | Confident | 142 Ų | 142 | 89.7 Ų | 89.7 | 62% | 0.617 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.4 | -37.3 | 175.8 | -173.6 | 175.2 | 69.7 | 169.4 | 0 | 112.1 | R200 K202 L208 | R200-K204 WeakPolarHBondContact O-CB 3.47Å; R200-K204 PolarHBondContact O-N 3.47Å; K202-K204 PolarHBondContact O-N 2.85Å; K204-L208 HydrophobicContact CG-CD1 4.27Å; K204-L208 VanDerWaalsContact O-CG 3.31Å; K204-L208 WeakPolarHBondContact O-CG 3.22Å; K204-L208 PolarHBondContact O-N 3.17Å |
| 205 | R | 91.8 | Very high | 84.1 | Confident | 144 Ų | 144 | 91.1 Ų | 91.1 | 54% | 0.543 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.6 | -45.7 | 175.6 | -163 | -175.9 | 69.1 | -139.2 | -3.7 | 111.3 | T201 K202 F203 K207 L208 E209 | T201-R205 PolarHBondContact O-N 3.47Å; K202-R205 PolarHBondContact O-N 3.4Å; K202-R205 VanDerWaalsContact O-N 3.12Å; F203-R205 VanDerWaalsContact C-N 3.26Å; F203-R205 PolarHBondContact O-N 2.81Å; R205-K207 VanDerWaalsContact C-N 3.33Å; R205-K207 PolarHBondContact O-N 3.35Å; R205-L208 CarbonylContact O-C 3.55Å; R205-L208 PolarHBondContact O-N 3.49Å; R205-L208 VanDerWaalsContact O-N 3.12Å; R205-E209 VanDerWaalsContact CD-OE1 3.31Å; R205-E209 WeakPolarHBondContact CD-OE1 3.3Å; R205-E209 HydrophobicContact CG-CG 4.38Å; R205-E209 WeakPolarHBondContact CG-OE1 3.15Å; R205-E209 IonicContact NE-OE1 3.83Å; R205-E209 PolarHBondContact NE-OE1 2.75Å; R205-E209 IonicContact NE-OE2 3.8Å; R205-E209 VanDerWaalsContact O-CG 3.29Å; R205-E209 WeakPolarHBondContact O-CG 3.4Å; R205-E209 PolarHBondContact O-N 3.3Å |
| 206 | Q | 90.3 | Very high | 81.8 | Confident | 77 Ų | 77 | 96.2 Ų | 96.2 | 36% | 0.36 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 177.3 | -69.5 | 179.7 | -90.8 | 0 | 0 | 111.7 | K202 F203 L208 E209 E210 | K202-Q206 HydrophobicContact CG-CG 4.47Å; K202-Q206 WeakPolarHBondContact O-CG 3.47Å; K202-Q206 PolarHBondContact O-N 3.5Å; F203-Q206 PolarHBondContact O-N 2.75Å; Q206-L208 PolarHBondContact O-N 2.9Å; Q206-E209 CarbonylContact O-C 3.59Å; Q206-E209 WeakPolarHBondContact O-CA 3.36Å; Q206-E209 WeakPolarHBondContact O-CB 3.49Å; Q206-E209 PolarHBondContact O-N 3.12Å; Q206-E209 VanDerWaalsContact O-N 3.08Å; Q206-E210 WeakPolarHBondContact O-CB 3.44Å; Q206-E210 PolarHBondContact O-N 3.43Å |
| 207 | K | 87.8 | Confident | 79.5 | Confident | 102 Ų | 102 | 99.6 Ų | 99.6 | 44% | 0.443 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 176 | -177.3 | 162.8 | -178.1 | 160.5 | 0 | 113.1 | F203 R205 E209 E210 E211 | F203-K207 PolarHBondContact O-N 3.39Å; R205-K207 VanDerWaalsContact C-N 3.33Å; R205-K207 PolarHBondContact O-N 3.35Å; K207-E209 PolarHBondContact O-N 3.22Å; K207-E210 PolarHBondContact O-N 3.48Å; K207-E211 WeakPolarHBondContact CE-OE1 3.38Å; K207-E211 HydrophobicContact CG-CG 3.97Å; K207-E211 IonicContact NZ-OE1 2.82Å; K207-E211 PolarHBondContact NZ-OE1 2.9Å; K207-E211 WeakPolarHBondContact O-CB 3.47Å; K207-E211 VanDerWaalsContact O-CG 3.23Å; K207-E211 WeakPolarHBondContact O-CG 3.31Å; K207-E211 PolarHBondContact O-N 3.03Å |
| 208 | L | 83.6 | Confident | 77.2 | Confident | 123 Ų | 123 | 104.4 Ų | 104.4 | 64% | 0.644 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.4 | -17.8 | 174.1 | -69.5 | 169.9 | 0 | 0 | 0 | 113.4 | K204 R205 Q206 | K204-L208 HydrophobicContact CG-CD1 4.27Å; K204-L208 VanDerWaalsContact O-CG 3.31Å; K204-L208 WeakPolarHBondContact O-CG 3.22Å; K204-L208 PolarHBondContact O-N 3.17Å; R205-L208 CarbonylContact O-C 3.55Å; R205-L208 PolarHBondContact O-N 3.49Å; R205-L208 VanDerWaalsContact O-N 3.12Å; Q206-L208 PolarHBondContact O-N 2.9Å |
| 209 | E | 80.9 | Confident | 75.1 | Confident | 78 Ų | 78 | 106.8 Ų | 106.8 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -82.2 | -39.4 | 171.7 | -71.4 | 162.9 | 168.5 | 0 | 0 | 109.8 | R205 Q206 K207 G212 Q217 | R205-E209 VanDerWaalsContact CD-OE1 3.31Å; R205-E209 WeakPolarHBondContact CD-OE1 3.3Å; R205-E209 HydrophobicContact CG-CG 4.38Å; R205-E209 WeakPolarHBondContact CG-OE1 3.15Å; R205-E209 IonicContact NE-OE1 3.83Å; R205-E209 PolarHBondContact NE-OE1 2.75Å; R205-E209 IonicContact NE-OE2 3.8Å; R205-E209 VanDerWaalsContact O-CG 3.29Å; R205-E209 WeakPolarHBondContact O-CG 3.4Å; R205-E209 PolarHBondContact O-N 3.3Å; Q206-E209 CarbonylContact O-C 3.59Å; Q206-E209 WeakPolarHBondContact O-CA 3.36Å; Q206-E209 WeakPolarHBondContact O-CB 3.49Å; Q206-E209 PolarHBondContact O-N 3.12Å; Q206-E209 VanDerWaalsContact O-N 3.08Å; K207-E209 PolarHBondContact O-N 3.22Å; E209-G212 PolarHBondContact O-N 2.94Å; E209-Q217 PolarHBondContact O-NE2 2.88Å; E209-Q217 PolarHBondContact O-OE1 3.29Å |
| 210 | E | 75.9 | Confident | 73.1 | Confident | 159 Ų | 159 | 113.1 Ų | 113.1 | 74% | 0.743 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -71.1 | -50.1 | 179.2 | -174.1 | 170.7 | -152.5 | 0 | 0 | 114.1 | Q206 K207 G212 | Q206-E210 WeakPolarHBondContact O-CB 3.44Å; Q206-E210 PolarHBondContact O-N 3.43Å; K207-E210 PolarHBondContact O-N 3.48Å; E210-G212 PolarHBondContact O-N 3.16Å |
| 211 | E | 70.6 | Confident | 70.9 | Confident | 138 Ų | 138 | 113 Ų | 113 | 65% | 0.645 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -3.9 | 176.8 | -57.4 | -91 | -165.6 | 0 | 0 | 112.5 | K207 | K207-E211 WeakPolarHBondContact CE-OE1 3.38Å; K207-E211 HydrophobicContact CG-CG 3.97Å; K207-E211 IonicContact NZ-OE1 2.82Å; K207-E211 PolarHBondContact NZ-OE1 2.9Å; K207-E211 WeakPolarHBondContact O-CB 3.47Å; K207-E211 VanDerWaalsContact O-CG 3.23Å; K207-E211 WeakPolarHBondContact O-CG 3.31Å; K207-E211 PolarHBondContact O-N 3.03Å |
| 212 | G | 60.6 | Low | 68.9 | Low | 29 Ų | 29 | 112.5 Ų | 112.5 | 30% | 0.299 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -105.8 | 28.7 | -163.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | E209 E210 Q217 | E209-G212 PolarHBondContact O-N 2.94Å; E210-G212 PolarHBondContact O-N 3.16Å; G212-Q217 VanDerWaalsContact C-NE2 3.31Å; G212-Q217 PolarHBondContact O-NE2 2.85Å |
| 213 | S | 48.7 | Very low | 67 | Low | 97 Ų | 97 | 113.1 Ų | 113.1 | 68% | 0.678 | 56% | 0.564 | S | S | * | * | trans | 47.4 | 134.3 | 171.1 | 61 | 0 | 0 | 0 | 0 | 119.7 | S215 | S213-S215 VanDerWaalsContact C-N 3.33Å; S213-S215 PolarHBondContact O-N 3.44Å | ||
| 214 | D | 54.1 | Low | 65.4 | Low | 166 Ų | 166 | 114.8 Ų | 114.8 | 89% | 0.888 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 65.6 | -167.4 | -172.3 | 23.2 | 0 | 0 | 0 | 115.4 | ||
| 215 | S | 50.2 | Low | 64 | Low | 102 Ų | 102 | 112.1 Ų | 112.1 | 71% | 0.713 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.5 | -12.4 | -177.1 | -84.4 | 0 | 0 | 0 | 0 | 118.8 | S213 | S213-S215 VanDerWaalsContact C-N 3.33Å; S213-S215 PolarHBondContact O-N 3.44Å |
| 216 | Q | 49.1 | Very low | 62.9 | Low | 128 Ų | 128 | 108.2 Ų | 108.2 | 60% | 0.598 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -134.9 | -8 | -167.9 | -77.4 | -63.2 | -64 | 0 | 0 | 118.1 | ||
| 217 | Q | 49.8 | Very low | 61.9 | Low | 72 Ų | 72 | 112.3 Ų | 112.3 | 34% | 0.336 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -86.1 | -28.5 | -154 | -58.7 | -167 | 10.9 | 0 | 0 | 116.3 | E209 G212 K219 K220 | E209-Q217 PolarHBondContact O-NE2 2.88Å; E209-Q217 PolarHBondContact O-OE1 3.29Å; G212-Q217 VanDerWaalsContact C-NE2 3.31Å; G212-Q217 PolarHBondContact O-NE2 2.85Å; Q217-K219 PolarHBondContact O-N 3.23Å; Q217-K220 PolarHBondContact O-N 2.91Å |
| 218 | K | 50.8 | Low | 61.1 | Low | 197 Ų | 197 | 116.1 Ų | 116.1 | 86% | 0.857 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -61.4 | -5.7 | -179.9 | -146.1 | 171.8 | -171.6 | 174.5 | 0 | 114.2 | T222 | K218-T222 WeakPolarHBondContact O-CB 3.22Å; K218-T222 PolarHBondContact O-OG1 3.45Å |
| 219 | K | 52.8 | Low | 60.5 | Low | 151 Ų | 151 | 116.7 Ų | 116.7 | 66% | 0.657 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -99.3 | -29.6 | -178.7 | -66.1 | -177.4 | 179.3 | 178.2 | 0 | 115.1 | Q217 T222 H223 | Q217-K219 PolarHBondContact O-N 3.23Å; K219-T222 PolarHBondContact O-N 3.08Å; K219-H223 VanDerWaalsContact O-CB 3.22Å; K219-H223 WeakPolarHBondContact O-CB 3.29Å; K219-H223 PolarHBondContact O-N 3.4Å |
| 220 | K | 56 | Low | 59.9 | Low | 172 Ų | 172 | 119.8 Ų | 119.8 | 75% | 0.748 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.1 | -49.3 | -170.4 | -74 | -178 | -179.8 | 173.3 | 0 | 113.5 | Q217 | Q217-K220 PolarHBondContact O-N 2.91Å |
| 221 | G | 52 | Low | 59.4 | Low | 43 Ų | 43 | 116.3 Ų | 116.3 | 44% | 0.443 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.8 | -47.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | H223 H224 | G221-H223 VanDerWaalsContact C-N 3.34Å; G221-H223 PolarHBondContact O-N 3.12Å; G221-H224 PolarHBondContact O-CE1 3.37Å; G221-H224 PolarHBondContact O-N 3.21Å; G221-H224 PolarHBondContact O-ND1 2.88Å |
| 222 | T | 55.5 | Low | 59.5 | Low | 64 Ų | 64 | 112.8 Ų | 112.8 | 39% | 0.393 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -57 | -40.2 | 178.4 | -51.6 | 0 | 0 | 0 | 0 | 113.4 | K218 K219 H224 I225 N226 | K218-T222 WeakPolarHBondContact O-CB 3.22Å; K218-T222 PolarHBondContact O-OG1 3.45Å; K219-T222 PolarHBondContact O-N 3.08Å; T222-H224 PolarHBondContact O-N 3.43Å; T222-I225 PolarHBondContact O-N 3.48Å; T222-N226 VanDerWaalsContact O-CB 3.3Å; T222-N226 WeakPolarHBondContact O-CB 3.41Å; T222-N226 VanDerWaalsContact O-CG 3.26Å; T222-N226 PolarHBondContact O-N 3.01Å; T222-N226 PolarHBondContact O-OD1 3.43Å |
| 223 | H | 55.8 | Low | 59.6 | Low | 105 Ų | 105 | 120.2 Ų | 120.2 | 49% | 0.486 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.7 | -36 | -174.9 | 179.9 | -114.7 | 0 | 0 | 0 | 113.3 | K219 G221 R227 | K219-H223 VanDerWaalsContact O-CB 3.22Å; K219-H223 WeakPolarHBondContact O-CB 3.29Å; K219-H223 PolarHBondContact O-N 3.4Å; G221-H223 VanDerWaalsContact C-N 3.34Å; G221-H223 PolarHBondContact O-N 3.12Å; H223-R227 WeakPolarHBondContact O-CB 3.48Å; H223-R227 PolarHBondContact O-N 2.77Å |
| 224 | H | 62.6 | Low | 59.7 | Low | 122 Ų | 122 | 121.8 Ų | 121.8 | 57% | 0.565 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.4 | -40.5 | 176.6 | 92.4 | -80.1 | 0 | 0 | 0 | 111.8 | G221 T222 W228 | G221-H224 PolarHBondContact O-CE1 3.37Å; G221-H224 PolarHBondContact O-N 3.21Å; G221-H224 PolarHBondContact O-ND1 2.88Å; T222-H224 PolarHBondContact O-N 3.43Å; H224-W228 WeakPolarHBondContact O-CB 3.31Å; H224-W228 PolarHBondContact O-N 2.85Å |
| 225 | I | 65.5 | Low | 59.3 | Low | 86 Ų | 86 | 116.8 Ų | 116.8 | 44% | 0.441 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.7 | -44.7 | 175.2 | -74.4 | 159.5 | 0 | 0 | 0 | 110.9 | T222 W228 R229 | T222-I225 PolarHBondContact O-N 3.48Å; I225-W228 PolarHBondContact O-N 2.73Å; I225-R229 WeakPolarHBondContact O-CB 3.46Å; I225-R229 PolarHBondContact O-N 3.35Å |
| 226 | N | 69.3 | Low | 59.3 | Low | 61 Ų | 61 | 117.8 Ų | 117.8 | 33% | 0.326 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.8 | -41 | 178.7 | -72.2 | 6.8 | 0 | 0 | 0 | 111.7 | T222 W228 R229 L230 | T222-N226 VanDerWaalsContact O-CB 3.3Å; T222-N226 WeakPolarHBondContact O-CB 3.41Å; T222-N226 VanDerWaalsContact O-CG 3.26Å; T222-N226 PolarHBondContact O-N 3.01Å; T222-N226 PolarHBondContact O-OD1 3.43Å; N226-W228 VanDerWaalsContact C-N 3.3Å; N226-W228 PolarHBondContact O-N 3.06Å; N226-R229 PolarHBondContact O-N 3.19Å; N226-R229 PolarHBondContact OD1-NH1 3.07Å; N226-L230 WeakPolarHBondContact O-CB 3.23Å; N226-L230 VanDerWaalsContact O-CG 3.3Å; N226-L230 WeakPolarHBondContact O-CG 3.47Å; N226-L230 PolarHBondContact O-N 3.27Å |
| 227 | R | 67.5 | Low | 59 | Low | 163 Ų | 163 | 115 Ų | 115 | 62% | 0.615 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.9 | -39.5 | 173.2 | -179.4 | 171 | -71.8 | -125.8 | -4 | 111.5 | H223 A231 | H223-R227 WeakPolarHBondContact O-CB 3.48Å; H223-R227 PolarHBondContact O-N 2.77Å; R227-A231 VanDerWaalsContact O-CB 3.22Å; R227-A231 WeakPolarHBondContact O-CB 2.74Å; R227-A231 PolarHBondContact O-N 3.14Å |
| 228 | W | 72.1 | Confident | 58.5 | Low | 183 Ų | 183 | 116.3 Ų | 116.3 | 69% | 0.693 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.1 | -41.3 | 174.5 | -155 | 88.5 | 0 | 0 | 0 | 112 | H224 I225 N226 A231 T232 | H224-W228 WeakPolarHBondContact O-CB 3.31Å; H224-W228 PolarHBondContact O-N 2.85Å; I225-W228 PolarHBondContact O-N 2.73Å; N226-W228 VanDerWaalsContact C-N 3.3Å; N226-W228 PolarHBondContact O-N 3.06Å; W228-A231 PolarHBondContact O-N 2.82Å; W228-T232 HydrophobicContact CE3-CG2 4.02Å; W228-T232 HydrophobicContact CZ3-CG2 3.99Å; W228-T232 WeakPolarHBondContact O-CB 3.47Å; W228-T232 VanDerWaalsContact O-CG2 3.3Å; W228-T232 WeakPolarHBondContact O-CG2 3.39Å; W228-T232 PolarHBondContact O-N 3.1Å |
| 229 | R | 70.8 | Confident | 58.4 | Low | 135 Ų | 135 | 112.4 Ų | 112.4 | 51% | 0.509 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.4 | -43.1 | 175.7 | -166.5 | -174.9 | -62.7 | 106.3 | 0.2 | 112.4 | I225 N226 K233 | I225-R229 WeakPolarHBondContact O-CB 3.46Å; I225-R229 PolarHBondContact O-N 3.35Å; N226-R229 PolarHBondContact O-N 3.19Å; N226-R229 PolarHBondContact OD1-NH1 3.07Å; R229-K233 PolarHBondContact O-N 2.88Å |
| 230 | L | 67.7 | Low | 58.1 | Low | 143 Ų | 143 | 113 Ų | 113 | 75% | 0.749 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.6 | -48.3 | 175.2 | -69.6 | 167.2 | 0 | 0 | 0 | 111 | N226 T232 K233 | N226-L230 WeakPolarHBondContact O-CB 3.23Å; N226-L230 VanDerWaalsContact O-CG 3.3Å; N226-L230 WeakPolarHBondContact O-CG 3.47Å; N226-L230 PolarHBondContact O-N 3.27Å; L230-T232 VanDerWaalsContact C-N 3.32Å; L230-T232 PolarHBondContact O-N 3.03Å; L230-K233 PolarHBondContact O-N 3.2Å; L230-K233 VanDerWaalsContact O-N 3.17Å |
| 231 | A | 66.6 | Low | 57.7 | Low | 86 Ų | 86 | 113.9 Ų | 113.9 | 71% | 0.711 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.9 | -27.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R227 W228 | R227-A231 VanDerWaalsContact O-CB 3.22Å; R227-A231 WeakPolarHBondContact O-CB 2.74Å; R227-A231 PolarHBondContact O-N 3.14Å; W228-A231 PolarHBondContact O-N 2.82Å |
| 232 | T | 72.3 | Confident | 57.8 | Low | 64 Ų | 64 | 118.4 Ų | 118.4 | 39% | 0.393 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.5 | -2.4 | 175.8 | -162.5 | 0 | 0 | 0 | 0 | 113.8 | W228 L230 Q234 | W228-T232 HydrophobicContact CE3-CG2 4.02Å; W228-T232 HydrophobicContact CZ3-CG2 3.99Å; W228-T232 WeakPolarHBondContact O-CB 3.47Å; W228-T232 VanDerWaalsContact O-CG2 3.3Å; W228-T232 WeakPolarHBondContact O-CG2 3.39Å; W228-T232 PolarHBondContact O-N 3.1Å; L230-T232 VanDerWaalsContact C-N 3.32Å; L230-T232 PolarHBondContact O-N 3.03Å; T232-Q234 HydrophobicContact CG2-CB 4.15Å; T232-Q234 HydrophobicContact CG2-CG 4.08Å; T232-Q234 PolarHBondContact O-N 3.01Å |
| 233 | K | 62.5 | Low | 57.5 | Low | 185 Ų | 185 | 121.8 Ų | 121.8 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 37.2 | 38.7 | -178.3 | -149.8 | -171.1 | 178.4 | -173.3 | 0 | 115.4 | R229 L230 G235 | R229-K233 PolarHBondContact O-N 2.88Å; L230-K233 PolarHBondContact O-N 3.2Å; L230-K233 VanDerWaalsContact O-N 3.17Å; K233-G235 PolarHBondContact O-N 3.19Å |
| 234 | Q | 51.4 | Low | 57.3 | Low | 130 Ų | 130 | 122.7 Ų | 122.7 | 61% | 0.607 | 66% | 0.662 | S | S | * | * | trans | -79.4 | 57.8 | 166 | -73.4 | -95.7 | 114.1 | 0 | 0 | 109.1 | T232 | T232-Q234 HydrophobicContact CG2-CB 4.15Å; T232-Q234 HydrophobicContact CG2-CG 4.08Å; T232-Q234 PolarHBondContact O-N 3.01Å | ||
| 235 | G | 44.7 | Very low | 56.7 | Low | 60 Ų | 60 | 122.3 Ų | 122.3 | 62% | 0.619 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 131.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | K233 | K233-G235 PolarHBondContact O-N 3.19Š|
| 236 | S | 49.8 | Very low | 56.4 | Low | 123 Ų | 123 | 123 Ų | 123 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 163.6 | 160.4 | 42.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 237 | G | 43 | Very low | 55.9 | Low | 71 Ų | 71 | 127.8 Ų | 127.8 | 73% | 0.732 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 172.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 238 | S | 38.8 | Very low | 55.3 | Low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 145 | 172.9 | -153.9 | 0 | 0 | 0 | 0 | 110.7 | E240 | S238-E240 PolarHBondContact O-N 3.48Å; S238-E240 VanDerWaalsContact O-N 3.16Å |
| 239 | P | 49.6 | Very low | 54.5 | Low | 115 Ų | 115 | 128.9 Ų | 128.9 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | trans | -60.9 | 112.1 | 140.7 | 28 | -24.3 | 0 | 0 | 0 | 105.5 | ||||
| 240 | E | 47 | Very low | 53.6 | Low | 162 Ų | 162 | 128.5 Ų | 128.5 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | trans | -74.3 | 130.6 | 160.3 | -72 | -176.7 | 146.6 | 0 | 0 | 106.6 | S238 I242 | S238-E240 PolarHBondContact O-N 3.48Å; S238-E240 VanDerWaalsContact O-N 3.16Å; E240-I242 PolarHBondContact O-N 3.38Å | ||
| 241 | E | 48 | Very low | 52.8 | Low | 191 Ų | 191 | 127.7 Ų | 127.7 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | trans | -72 | 86.7 | 169.2 | -69.1 | 175.8 | 136.3 | 0 | 0 | 107.1 | D243 | E241-D243 PolarHBondContact O-N 3.16Š| ||
| 242 | I | 53.9 | Low | 52 | Low | 139 Ų | 139 | 130.2 Ų | 130.2 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -70.1 | 77.3 | 166.9 | 51.4 | 146.1 | 0 | 0 | 0 | 108.8 | E240 V244 | E240-I242 PolarHBondContact O-N 3.38Å; I242-V244 HydrophobicContact CB-CG2 4.43Å; I242-V244 PolarHBondContact O-N 3.33Å | ||
| 243 | D | 47.8 | Very low | 50.7 | Low | 134 Ų | 134 | 134.3 Ų | 134.3 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | -68.1 | 82 | 171 | -174.6 | 28.7 | 0 | 0 | 0 | 109.7 | E241 T245 | E241-D243 PolarHBondContact O-N 3.16Å; D243-T245 PolarHBondContact O-N 3.2Å; D243-T245 VanDerWaalsContact O-N 3.17Å | ||
| 244 | V | 51.9 | Low | 50 | Low | 125 Ų | 125 | 130.9 Ų | 130.9 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | trans | -86.3 | 63.3 | 168.9 | -170.2 | 0 | 0 | 0 | 0 | 107.7 | I242 | I242-V244 HydrophobicContact CB-CG2 4.43Å; I242-V244 PolarHBondContact O-N 3.33Å | ||
| 245 | T | 51.3 | Low | 49.9 | Very low | 113 Ų | 113 | 131 Ų | 131 | 69% | 0.693 | 79% | 0.788 | S | S | * | * | trans | -68.8 | 139.4 | 162 | -171.6 | 0 | 0 | 0 | 0 | 108.9 | D243 | D243-T245 PolarHBondContact O-N 3.2Å; D243-T245 VanDerWaalsContact O-N 3.17Å | ||
| 246 | S | 58.1 | Low | 50.2 | Low | 102 Ų | 102 | 136.5 Ų | 136.5 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | -109.6 | 138.1 | -165.6 | -166.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 247 | D | 59.4 | Low | 50.3 | Low | 160 Ų | 160 | 137.6 Ų | 137.6 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | 40.1 | 97.7 | 140.3 | -133.8 | -130.5 | 0 | 0 | 0 | 118.3 | ||||
| 248 | D | 54.5 | Low | 50.9 | Low | 240 Ų | 240 | 143.6 Ų | 143.6 | 100% | 1.283 | 80% | 0.802 | S | S | * | * | -160.2 | 0 | 127.7 | -160.8 | -125.2 | 0 | 0 | 0 | 109.6 |
Retrieved 248 of 248 residues in 364.8 ms
(Link to these results)