| 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 | 42.8 | Very low | 50.2 | Low | 251 Ų | 251 | 138.9 Ų | 138.9 | 100% | 1.236 | 86% | 0.863 | S | S | * | * | 0 | 130.6 | 0 | -71.3 | 178.2 | 162.3 | 0 | 0 | 107.5 | |||||
| 2 | G | 45.9 | Very low | 50.4 | Low | 70 Ų | 70 | 136.7 Ų | 136.7 | 72% | 0.722 | 85% | 0.848 | S | S | * | * | trans | 104.9 | 78.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 3 | S | 50.5 | Low | 50.7 | Low | 124 Ų | 124 | 138.7 Ų | 138.7 | 87% | 0.867 | 85% | 0.845 | S | S | * | * | 86.3 | 99.6 | 87.6 | -58.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 4 | T | 46.5 | Very low | 51.3 | Low | 137 Ų | 137 | 135.2 Ų | 135.2 | 84% | 0.84 | 84% | 0.838 | S | S | * | * | trans | -77.3 | 144.2 | 165.4 | 41 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 5 | S | 60 | Low | 51.6 | Low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | trans | -151.9 | 120.5 | 160.6 | -74.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 6 | P | 57.9 | Low | 52.2 | Low | 133 Ų | 133 | 134.1 Ų | 134.1 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 128 | 171.5 | 31.9 | -23.9 | 0 | 0 | 0 | 110.2 | ||
| 7 | S | 58.1 | Low | 51.8 | Low | 121 Ų | 121 | 130.2 Ų | 130.2 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -62 | 152.4 | 179 | -53.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 8 | G | 50.7 | Low | 51.6 | Low | 77 Ų | 77 | 132.3 Ų | 132.3 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -61 | 152.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | E10 | G8-E10 PolarHBondContact O-N 2.85Š|
| 9 | L | 51.4 | Low | 51.4 | Low | 173 Ų | 173 | 131.4 Ų | 131.4 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | -76.4 | 104.9 | 173.3 | -63.5 | 171.1 | 0 | 0 | 0 | 109.2 | ||||
| 10 | E | 45.7 | Very low | 51 | Low | 173 Ų | 173 | 131 Ų | 131 | 81% | 0.808 | 83% | 0.827 | S | S | * | * | trans | -83.8 | 112.1 | 162.6 | -151.7 | -150.1 | 143.9 | 0 | 0 | 108.4 | G8 T12 | G8-E10 PolarHBondContact O-N 2.85Å; E10-T12 PolarHBondContact O-N 3.36Å | ||
| 11 | L | 42.6 | Very low | 51 | Low | 155 Ų | 155 | 130.3 Ų | 130.3 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | trans | -89.3 | 89.2 | 173 | -110.3 | 141 | 0 | 0 | 0 | 108.4 | M13 | L11-M13 PolarHBondContact O-N 3.49Š| ||
| 12 | T | 52.7 | Low | 51.2 | Low | 112 Ų | 112 | 124.8 Ų | 124.8 | 69% | 0.687 | 81% | 0.813 | S | S | * | * | trans | -78.5 | 114.4 | 169 | -165.6 | 0 | 0 | 0 | 0 | 109.2 | E10 | E10-T12 PolarHBondContact O-N 3.36Š| ||
| 13 | M | 54.1 | Low | 51 | Low | 163 Ų | 163 | 125 Ų | 125 | 80% | 0.803 | 82% | 0.815 | S | S | * | * | trans | -92.9 | 97.6 | 170.7 | -68.3 | -174.3 | -69.3 | 0 | 0 | 108.1 | L11 V15 | L11-M13 PolarHBondContact O-N 3.49Å; M13-V15 PolarHBondContact O-N 3.17Å | ||
| 14 | A | 58.8 | Low | 51 | Low | 90 Ų | 90 | 124.7 Ų | 124.7 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 117.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 15 | V | 56.9 | Low | 51 | Low | 134 Ų | 134 | 126.4 Ų | 126.4 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 124.6 | 167.5 | -82.1 | 0 | 0 | 0 | 0 | 109.4 | M13 G17 | M13-V15 PolarHBondContact O-N 3.17Å; V15-G17 PolarHBondContact O-N 3.01Å |
| 16 | P | 60.5 | Low | 50.1 | Low | 118 Ų | 118 | 124.5 Ų | 124.5 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 123.1 | 172.3 | -15.1 | 29.3 | 0 | 0 | 0 | 110.1 | ||
| 17 | G | 45.5 | Very low | 49.7 | Very low | 68 Ų | 68 | 126.8 Ų | 126.8 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62 | 140.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V15 S19 | V15-G17 PolarHBondContact O-N 3.01Å; G17-S19 PolarHBondContact O-N 3.28Å |
| 18 | L | 48.7 | Very low | 48.7 | Very low | 168 Ų | 168 | 125 Ų | 125 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | trans | -80.7 | 92.3 | 170.6 | -32.6 | 173.1 | 0 | 0 | 0 | 106.9 | S20 | L18-S20 PolarHBondContact O-N 3.26Š| ||
| 19 | S | 46.8 | Very low | 48.6 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -77.4 | 108.1 | 165.5 | 28.3 | 0 | 0 | 0 | 0 | 108.7 | G17 S21 | G17-S19 PolarHBondContact O-N 3.28Å; S19-S21 PolarHBondContact O-N 2.96Å | ||
| 20 | S | 43.1 | Very low | 48.2 | Very low | 123 Ų | 123 | 126 Ų | 126 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -57.7 | 123.7 | 169.9 | -49.1 | 0 | 0 | 0 | 0 | 110.5 | L18 | L18-S20 PolarHBondContact O-N 3.26Š| ||
| 21 | S | 52.1 | Low | 48.4 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -145.6 | 124.3 | 154.3 | 55.7 | 0 | 0 | 0 | 0 | 109.6 | S19 | S19-S21 PolarHBondContact O-N 2.96Š| ||
| 22 | S | 46.2 | Very low | 48.6 | Very low | 136 Ų | 136 | 124.9 Ų | 124.9 | 95% | 0.951 | 81% | 0.805 | S | S | * | * | trans | -62.4 | 135.2 | 179.1 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 23 | G | 43 | Very low | 48.6 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | -177.6 | 90.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | E25 | G23-E25 PolarHBondContact O-N 2.92Š| ||
| 24 | S | 48.9 | Very low | 47.9 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -66.1 | 114 | 174.4 | 51 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 25 | E | 47.6 | Very low | 47.2 | Very low | 173 Ų | 173 | 125.8 Ų | 125.8 | 81% | 0.808 | 82% | 0.824 | S | S | * | * | trans | -154 | 123.6 | 143.3 | -70.6 | -156.4 | 122.7 | 0 | 0 | 108.2 | G23 F27 | G23-E25 PolarHBondContact O-N 2.92Å; E25-F27 HydrophobicContact CB-CE2 4.42Å | ||
| 26 | G | 41.1 | Very low | 46.3 | Very low | 75 Ų | 75 | 123 Ų | 123 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -76.6 | 122.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 27 | F | 48.4 | Very low | 45.7 | Very low | 180 Ų | 180 | 124.5 Ų | 124.5 | 79% | 0.789 | 82% | 0.824 | S | S | * | * | trans | -131.6 | 108.1 | 160.5 | -70.4 | -77.4 | 0 | 0 | 0 | 108.7 | E25 | E25-F27 HydrophobicContact CB-CE2 4.42Š| ||
| 28 | G | 37.7 | Very low | 45.5 | Very low | 83 Ų | 83 | 125 Ų | 125 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | trans | -76 | 120.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | N30 | G28-N30 PolarHBondContact O-N 3.43Š| ||
| 29 | C | 48.3 | Very low | 45.6 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | trans | -92.5 | 93.8 | 166.2 | -15.6 | 0 | 0 | 0 | 0 | 107.9 | N31 | C29-N31 PolarHBondContact O-N 3.2Š| ||
| 30 | N | 42.8 | Very low | 45.9 | Very low | 142 Ų | 142 | 122.9 Ų | 122.9 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -81.8 | 107.2 | 167.5 | -159.5 | 36.8 | 0 | 0 | 0 | 107.8 | G28 | G28-N30 PolarHBondContact O-N 3.43Š| ||
| 31 | N | 51.6 | Low | 46.7 | Very low | 162 Ų | 162 | 124.3 Ų | 124.3 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -128 | 92.8 | 168.4 | -104.8 | -2.7 | 0 | 0 | 0 | 109.3 | C29 | C29-N31 PolarHBondContact O-N 3.2Š| ||
| 32 | N | 46.9 | Very low | 46.8 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -85.1 | 109.8 | 161.8 | -98.8 | -14.3 | 0 | 0 | 0 | 108.4 | ||||
| 33 | N | 52.2 | Low | 47.2 | Very low | 174 Ų | 174 | 128.8 Ų | 128.8 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | trans | -176.3 | 129.3 | 139.9 | -109.4 | -13 | 0 | 0 | 0 | 111.5 | ||||
| 34 | G | 39.8 | Very low | 47.9 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | 122.8 | 69.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 35 | S | 44 | Very low | 48.4 | Very low | 136 Ų | 136 | 126.2 Ų | 126.2 | 95% | 0.951 | 75% | 0.751 | S | S | * | * | trans | 55.8 | 107.8 | 139.9 | -110.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 36 | G | 38.3 | Very low | 49.1 | Very low | 77 Ų | 77 | 125.3 Ų | 125.3 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 112.3 | 99.8 | 141 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 37 | N | 46.6 | Very low | 50.1 | Low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | 79.3 | 54.5 | 153.1 | -126 | 59.7 | 0 | 0 | 0 | 118.9 | ||||
| 38 | G | 40.8 | Very low | 50.6 | Low | 79 Ų | 79 | 123.6 Ų | 123.6 | 81% | 0.814 | 73% | 0.726 | S | S | * | * | trans | -90.5 | 20.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 39 | N | 51.6 | Low | 51.2 | Low | 136 Ų | 136 | 122.1 Ų | 122.1 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | -126.4 | 102.8 | -179.2 | -67.4 | -17.5 | 0 | 0 | 0 | 109.3 | ||||
| 40 | N | 54.2 | Low | 51.4 | Low | 102 Ų | 102 | 119.2 Ų | 119.2 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | trans | -169.5 | -8 | 160.8 | -84.3 | -26.1 | 0 | 0 | 0 | 113.5 | R42 D43 | N40-R42 PolarHBondContact O-N 3.37Å; N40-R42 VanDerWaalsContact O-N 3.07Å; N40-D43 PolarHBondContact O-N 2.97Å | ||
| 41 | M | 59.1 | Low | 51.5 | Low | 154 Ų | 154 | 118.6 Ų | 118.6 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -17.5 | 177.8 | -164.9 | 78.9 | 177.3 | 0 | 0 | 113 | ||
| 42 | R | 54.9 | Low | 51.1 | Low | 230 Ų | 230 | 113.5 Ų | 113.5 | 87% | 0.868 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -8.6 | -177.2 | -53.9 | -176.9 | -175.1 | 178.5 | 2.1 | 113.4 | N40 | N40-R42 PolarHBondContact O-N 3.37Å; N40-R42 VanDerWaalsContact O-N 3.07Å |
| 43 | D | 54 | Low | 50.6 | Low | 116 Ų | 116 | 110.6 Ų | 110.6 | 62% | 0.62 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -94.6 | 7.5 | -174.7 | -75.2 | -66.3 | 0 | 0 | 0 | 114 | N40 | N40-D43 PolarHBondContact O-N 2.97Š|
| 44 | L | 57.1 | Low | 50.3 | Low | 66 Ų | 66 | 109.4 Ų | 109.4 | 35% | 0.346 | 67% | 0.672 | S | S | . | * | trans | -105.9 | 35.4 | 174.4 | -55.8 | -177.9 | 0 | 0 | 0 | 111.9 | M46 E140 | L44-M46 PolarHBondContact O-N 2.91Å; L44-E140 HydrophobicContact CD1-CG 4.2Å | ||
| 45 | D | 60.2 | Low | 50.6 | Low | 71 Ų | 71 | 114.9 Ų | 114.9 | 38% | 0.38 | 68% | 0.678 | S | S | . | * | trans | -65.7 | 116.9 | 171.3 | 177.7 | 8.6 | 0 | 0 | 0 | 108.8 | N47 Q48 | D45-N47 PolarHBondContact O-N 2.91Å; D45-N47 WeakPolarHBondContact OD1-CB 3.41Å; D45-N47 PolarHBondContact OD1-N 2.97Å; D45-N47 PolarHBondContact OD1-ND2 3.35Å; D45-Q48 HydrophobicContact CB-CB 4.29Å; D45-Q48 HydrophobicContact CB-CG 3.7Å; D45-Q48 WeakPolarHBondContact O-CB 3.49Å; D45-Q48 PolarHBondContact O-N 2.92Å | ||
| 46 | M | 62.1 | Low | 50.9 | Low | 154 Ų | 154 | 115.3 Ų | 115.3 | 76% | 0.759 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -15.3 | 176.3 | -168.4 | 172 | 78.5 | 0 | 0 | 112.9 | L44 | L44-M46 PolarHBondContact O-N 2.91Š|
| 47 | N | 62.5 | Low | 51.1 | Low | 100 Ų | 100 | 118.6 Ų | 118.6 | 54% | 0.535 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.9 | -4.1 | 178 | -51.9 | -69.5 | 0 | 0 | 0 | 114.3 | D45 P49 | D45-N47 PolarHBondContact O-N 2.91Å; D45-N47 WeakPolarHBondContact OD1-CB 3.41Å; D45-N47 PolarHBondContact OD1-N 2.97Å; D45-N47 PolarHBondContact OD1-ND2 3.35Å; N47-P49 WeakPolarHBondContact O-CD 3.45Å |
| 48 | Q | 57.7 | Low | 51.2 | Low | 119 Ų | 119 | 119.1 Ų | 119.1 | 56% | 0.556 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -80 | 119.6 | 174.6 | -77.5 | -83.9 | 2.6 | 0 | 0 | 109.9 | D45 A50 | D45-Q48 HydrophobicContact CB-CB 4.29Å; D45-Q48 HydrophobicContact CB-CG 3.7Å; D45-Q48 WeakPolarHBondContact O-CB 3.49Å; D45-Q48 PolarHBondContact O-N 2.92Å; Q48-A50 PolarHBondContact O-N 2.98Å |
| 49 | P | 51.2 | Low | 51.1 | Low | 52 Ų | 52 | 119.9 Ų | 119.9 | 34% | 0.338 | 65% | 0.646 | S | S | . | * | trans | -63.8 | 133.4 | 167.4 | 27.4 | -31.1 | 0 | 0 | 0 | 108.1 | N47 S51 R97 | N47-P49 WeakPolarHBondContact O-CD 3.45Å; P49-S51 VanDerWaalsContact C-N 3.33Å; P49-S51 PolarHBondContact O-N 3.49Å; P49-R97 HydrophobicContact CB-CG 4.49Å | ||
| 50 | A | 52.3 | Low | 50.8 | Low | 69 Ų | 69 | 120.1 Ų | 120.1 | 57% | 0.57 | 65% | 0.645 | S | S | * | * | trans | -54.5 | 96.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110 | Q48 G52 | Q48-A50 PolarHBondContact O-N 2.98Å; A50-G52 PolarHBondContact O-N 3.14Å; A50-G52 VanDerWaalsContact O-N 3.16Å | ||
| 51 | S | 43.8 | Very low | 50.3 | Low | 129 Ų | 129 | 118.7 Ų | 118.7 | 90% | 0.902 | 65% | 0.654 | S | S | * | * | trans | -85.2 | 85.1 | 178.2 | -166.8 | 0 | 0 | 0 | 0 | 107.3 | P49 | P49-S51 VanDerWaalsContact C-N 3.33Å; P49-S51 PolarHBondContact O-N 3.49Å | ||
| 52 | G | 43.4 | Very low | 49.5 | Very low | 55 Ų | 55 | 117.1 Ų | 117.1 | 57% | 0.567 | 66% | 0.658 | S | S | * | * | trans | -171.4 | 101.2 | 180 | 0 | 0 | 0 | 0 | 0 | 109.4 | A50 | A50-G52 PolarHBondContact O-N 3.14Å; A50-G52 VanDerWaalsContact O-N 3.16Å | ||
| 53 | G | 37.8 | Very low | 49 | Very low | 83 Ų | 83 | 112.2 Ų | 112.2 | 86% | 0.856 | 65% | 0.654 | S | S | * | * | trans | -68 | 123.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 54 | E | 45.3 | Very low | 48.7 | Very low | 148 Ų | 148 | 115.8 Ų | 115.8 | 69% | 0.692 | 67% | 0.666 | S | S | * | * | trans | -143.7 | 104 | 148.2 | 54.8 | -163.9 | 153.1 | 0 | 0 | 106 | E56 | E54-E56 PolarHBondContact O-N 3.04Š| ||
| 55 | E | 45.5 | Very low | 47.9 | Very low | 188 Ų | 188 | 121.3 Ų | 121.3 | 88% | 0.879 | 69% | 0.69 | S | S | * | * | trans | -75.4 | 78.6 | 179.4 | -39 | -177.9 | -164.3 | 0 | 0 | 106.9 | E57 | E55-E57 PolarHBondContact O-N 3.25Š| ||
| 56 | E | 50.2 | Low | 47.4 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | trans | -71.6 | 83.9 | 167.8 | -78.5 | -151.3 | 147.1 | 0 | 0 | 109.1 | E54 F58 | E54-E56 PolarHBondContact O-N 3.04Å; E56-F58 HydrophobicContact CB-CD2 4.21Å; E56-F58 HydrophobicContact CB-CE2 3.85Å; E56-F58 PolarHBondContact O-N 3.4Å; E56-F58 VanDerWaalsContact OE2-CE2 3.24Å; E56-F58 WeakPolarHBondContact OE2-CE2 3.47Å | ||
| 57 | E | 42.5 | Very low | 46.3 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 68% | 0.682 | 72% | 0.719 | S | S | * | * | trans | -69.2 | 88.4 | 174.5 | -170.3 | 166.5 | -139.1 | 0 | 0 | 109.9 | E55 K86 | E55-E57 PolarHBondContact O-N 3.25Å; E57-K86 IonicContact OE1-NZ 2.71Å; E57-K86 PolarHBondContact OE1-NZ 3.38Å | ||
| 58 | F | 48.9 | Very low | 45.4 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 70% | 0.697 | 74% | 0.735 | S | S | * | * | trans | -81.6 | 120.9 | 172 | -78 | -79.7 | 0 | 0 | 0 | 111.2 | E56 | E56-F58 HydrophobicContact CB-CD2 4.21Å; E56-F58 HydrophobicContact CB-CE2 3.85Å; E56-F58 PolarHBondContact O-N 3.4Å; E56-F58 VanDerWaalsContact OE2-CE2 3.24Å; E56-F58 WeakPolarHBondContact OE2-CE2 3.47Å | ||
| 59 | P | 38 | Very low | 44.9 | Very low | 95 Ų | 95 | 134 Ų | 134 | 62% | 0.617 | 75% | 0.748 | S | S | * | * | trans | -81.1 | 150.1 | -175.5 | 33.5 | -33.6 | 0 | 0 | 0 | 110.9 | R83 | P59-R83 PolarHBondContact O-NH2 2.93Š| ||
| 60 | M | 47.2 | Very low | 44.6 | Very low | 142 Ų | 142 | 143 Ų | 143 | 70% | 0.7 | 78% | 0.775 | S | S | * | * | 154.6 | 138.2 | 123.3 | -73.5 | -137.7 | -64.9 | 0 | 0 | 114 | R83 | M60-R83 VanDerWaalsContact CB-CZ 3.47Å; M60-R83 VanDerWaalsContact CB-NH1 3.33Å; M60-R83 VanDerWaalsContact CB-NH2 3.32Å; M60-R83 VanDerWaalsContact N-NH2 3.15Å; M60-R83 PolarHBondContact O-NE 2.71Å; M60-R83 PolarHBondContact O-NH2 3.07Å; M60-R83 VanDerWaalsContact O-NH2 3.17Å | |||
| 61 | G | 42 | Very low | 43.8 | Very low | 71 Ų | 71 | 143.9 Ų | 143.9 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | 96 | 116.8 | 122.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 62 | S | 43.5 | Very low | 43.5 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -54.4 | 150.1 | -173.7 | -76.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 63 | V | 43.3 | Very low | 43.2 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -44.6 | 138.7 | 154.3 | -94.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 64 | E | 48.7 | Very low | 43.3 | Very low | 190 Ų | 190 | 144.3 Ų | 144.3 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -143.9 | 131.8 | 135.6 | -63.6 | -167.5 | 160.3 | 0 | 0 | 109.4 | ||||
| 65 | E | 40.7 | Very low | 43.3 | Very low | 182 Ų | 182 | 140.2 Ų | 140.2 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -84.4 | 126.6 | 173.7 | -64.5 | 170.4 | 148 | 0 | 0 | 108.3 | ||||
| 66 | E | 47.9 | Very low | 43.4 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -145.8 | 115.7 | 157 | -71.9 | -166.8 | 156.5 | 0 | 0 | 109.9 | ||||
| 67 | E | 39.9 | Very low | 43.2 | Very low | 184 Ų | 184 | 139.2 Ų | 139.2 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -66 | 134.5 | 155.3 | -64.2 | 174.4 | 143.5 | 0 | 0 | 107.8 | ||||
| 68 | D | 44.4 | Very low | 43.7 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | 173.9 | 147.1 | 137 | -89.3 | -34.7 | 0 | 0 | 0 | 113.7 | ||||
| 69 | E | 45.8 | Very low | 43.7 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -67.3 | 169.2 | -178.5 | -69.4 | 175.2 | 92.1 | 0 | 0 | 114.6 | ||||
| 70 | R | 44.5 | Very low | 44.7 | Very low | 243 Ų | 243 | 145.2 Ų | 145.2 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | trans | 77.4 | 104.9 | 160.4 | -76.5 | 173.8 | 166.3 | -117.2 | -1.9 | 118.5 | ||||
| 71 | G | 36.7 | Very low | 45.8 | Very low | 87 Ų | 87 | 147.5 Ų | 147.5 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | 64.3 | 105 | 124 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 72 | G | 36.8 | Very low | 47.3 | Very low | 80 Ų | 80 | 148.4 Ų | 148.4 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -176.9 | 110 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 73 | A | 38.2 | Very low | 49.3 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 95% | 0.95 | 81% | 0.805 | S | S | * | * | trans | -60.7 | 139.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 74 | G | 40.3 | Very low | 51.6 | Low | 80 Ų | 80 | 144.8 Ų | 144.8 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | 161.5 | 96.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 75 | G | 45.2 | Very low | 53.7 | Low | 62 Ų | 62 | 138.9 Ų | 138.9 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | trans | 101 | 139.1 | 145.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | H77 | G75-H77 PolarHBondContact O-N 2.9Š| ||
| 76 | P | 46.8 | Very low | 56.3 | Low | 130 Ų | 130 | 137.9 Ų | 137.9 | 84% | 0.844 | 75% | 0.751 | S | S | * | * | trans | -64.5 | 120.9 | -175.3 | 27.5 | -32.3 | 0 | 0 | 0 | 110.3 | R78 | P76-R78 PolarHBondContact O-N 3.4Š| ||
| 77 | H | 46.8 | Very low | 58.6 | Low | 182 Ų | 182 | 133.2 Ų | 133.2 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | trans | -40.8 | 91.2 | 179.8 | -65.4 | -97.6 | 0 | 0 | 0 | 113.8 | G75 A79 | G75-H77 PolarHBondContact O-N 2.9Å; H77-A79 PolarHBondContact O-N 3.46Å | ||
| 78 | R | 51.5 | Low | 61.3 | Low | 240 Ų | 240 | 126.4 Ų | 126.4 | 91% | 0.906 | 70% | 0.698 | S | S | * | * | trans | -64.9 | 83.1 | 142.5 | -73.8 | -173.9 | -175.4 | -109.5 | 1.4 | 105.4 | P76 K80 | P76-R78 PolarHBondContact O-N 3.4Å; R78-K80 PolarHBondContact O-N 2.99Å | ||
| 79 | A | 49.7 | Very low | 63.8 | Low | 73 Ų | 73 | 120.7 Ų | 120.7 | 60% | 0.603 | 67% | 0.67 | S | S | * | * | trans | -44.3 | 117.2 | -174 | 0 | 0 | 0 | 0 | 0 | 109.3 | H77 K81 | H77-A79 PolarHBondContact O-N 3.46Å; A79-K81 VanDerWaalsContact C-N 3.26Å; A79-K81 PolarHBondContact O-N 3.39Å | ||
| 80 | K | 59.9 | Low | 66.2 | Low | 214 Ų | 214 | 117.8 Ų | 117.8 | 93% | 0.93 | 65% | 0.652 | S | S | * | * | trans | -56.2 | 92 | 177.9 | -63.6 | 176.7 | -179.5 | -178.5 | 0 | 107.3 | R78 L82 | R78-K80 PolarHBondContact O-N 2.99Å; K80-L82 PolarHBondContact O-N 2.84Å; K80-L82 VanDerWaalsContact O-N 3.07Å | ||
| 81 | K | 69.3 | Low | 68.7 | Low | 190 Ų | 190 | 107.4 Ų | 107.4 | 83% | 0.826 | 61% | 0.614 | S | S | * | * | trans | -62.2 | 115.2 | 178.8 | -75.5 | 179 | -179.4 | 179.5 | 0 | 106.3 | A79 R83 | A79-K81 VanDerWaalsContact C-N 3.26Å; A79-K81 PolarHBondContact O-N 3.39Å; K81-R83 PolarHBondContact O-N 3.04Å | ||
| 82 | L | 72.9 | Confident | 71.6 | Confident | 90 Ų | 90 | 103.3 Ų | 103.3 | 47% | 0.471 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 123.5 | 173.1 | 178.7 | 70.5 | 0 | 0 | 0 | 108.4 | K80 L84 L116 Q120 | K80-L82 PolarHBondContact O-N 2.84Å; K80-L82 VanDerWaalsContact O-N 3.07Å; L82-L84 HydrophobicContact CD2-CD2 3.74Å; L82-L84 HydrophobicContact CD2-CG 4.37Å; L82-L84 HydrophobicContact CG-CD2 4.22Å; L82-L116 HydrophobicContact CD2-CD2 4.45Å; L82-Q120 VanDerWaalsContact CD1-NE2 3.26Å; L82-Q120 HydrophobicContact CD2-CB 3.76Å; L82-Q120 HydrophobicContact CD2-CG 3.6Å |
| 83 | R | 85.3 | Confident | 74.5 | Confident | 132 Ų | 132 | 101.6 Ų | 101.6 | 50% | 0.498 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -97.9 | 124.1 | 169.5 | -57.7 | -175.7 | 68.8 | 126.8 | 16.1 | 107.4 | P59 M60 K81 | P59-R83 PolarHBondContact O-NH2 2.93Å; M60-R83 VanDerWaalsContact CB-CZ 3.47Å; M60-R83 VanDerWaalsContact CB-NH1 3.33Å; M60-R83 VanDerWaalsContact CB-NH2 3.32Å; M60-R83 VanDerWaalsContact N-NH2 3.15Å; M60-R83 PolarHBondContact O-NE 2.71Å; M60-R83 PolarHBondContact O-NH2 3.07Å; M60-R83 VanDerWaalsContact O-NH2 3.17Å; K81-R83 PolarHBondContact O-N 3.04Å |
| 84 | L | 91.8 | Very high | 77.4 | Confident | 41 Ų | 41 | 99.9 Ų | 99.9 | 22% | 0.215 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 140.7 | 173.9 | -63.6 | 170.8 | 0 | 0 | 0 | 108.4 | L82 Q88 S89 L92 L116 W124 | L82-L84 HydrophobicContact CD2-CD2 3.74Å; L82-L84 HydrophobicContact CD2-CG 4.37Å; L82-L84 HydrophobicContact CG-CD2 4.22Å; L84-Q88 HydrophobicContact CB-CB 4.18Å; L84-Q88 HydrophobicContact CD2-CB 4.44Å; L84-S89 WeakPolarHBondContact CB-OG 3.46Å; L84-L92 HydrophobicContact CD1-CD1 3.54Å; L84-L92 HydrophobicContact CD2-CD1 4.49Å; L84-L116 HydrophobicContact CD2-CD1 3.56Å; L84-L116 HydrophobicContact CD2-CD2 3.83Å; L84-L116 HydrophobicContact CD2-CG 4.36Å; L84-W124 HydrophobicContact CD1-CG 4.18Å |
| 85 | S | 93.8 | Very high | 80 | Confident | 66 Ų | 66 | 97.4 Ų | 97.4 | 46% | 0.462 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -58 | 156.5 | 168.5 | 167.7 | 0 | 0 | 0 | 0 | 110.9 | E87 Q88 S89 | S85-E87 PolarHBondContact O-N 3Å; S85-E87 PolarHBondContact OG-N 3.16Å; S85-Q88 PolarHBondContact O-N 2.9Å; S85-Q88 VanDerWaalsContact O-N 3.16Å; S85-S89 WeakPolarHBondContact O-CB 3.41Å; S85-S89 PolarHBondContact O-N 2.96Å; S85-S89 PolarHBondContact O-OG 3.27Å |
| 86 | K | 94.8 | Very high | 82.5 | Confident | 160 Ų | 160 | 94.7 Ų | 94.7 | 70% | 0.696 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -54.8 | -40.7 | 173.1 | -168.3 | 168.1 | -174.4 | 169.1 | 0 | 110.6 | E57 S89 R90 | E57-K86 IonicContact OE1-NZ 2.71Å; E57-K86 PolarHBondContact OE1-NZ 3.38Å; K86-S89 PolarHBondContact O-N 2.96Å; K86-R90 WeakPolarHBondContact O-CB 3.26Å; K86-R90 PolarHBondContact O-N 3.4Å |
| 87 | E | 96.1 | Very high | 84.9 | Confident | 89 Ų | 89 | 94.9 Ų | 94.9 | 42% | 0.416 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69.3 | -41.4 | 177.5 | -178.4 | 57 | -164.4 | 0 | 0 | 112.6 | S85 S89 R90 L91 | S85-E87 PolarHBondContact O-N 3Å; S85-E87 PolarHBondContact OG-N 3.16Å; E87-S89 VanDerWaalsContact C-N 3.33Å; E87-S89 PolarHBondContact O-N 3.28Å; E87-R90 PolarHBondContact O-N 3.26Å; E87-R90 IonicContact OE1-CZ 3.88Å; E87-R90 IonicContact OE1-NE 3.8Å; E87-R90 IonicContact OE1-NH2 3.54Å; E87-R90 PolarHBondContact OE1-NH2 2.92Å; E87-R90 IonicContact OE2-CZ 2.71Å; E87-R90 IonicContact OE2-NE 2.72Å; E87-R90 PolarHBondContact OE2-NE 3.44Å; E87-R90 IonicContact OE2-NH2 3.26Å; E87-R90 PolarHBondContact OE2-NH2 3.47Å; E87-L91 HydrophobicContact CG-CD1 4.28Å; E87-L91 WeakPolarHBondContact O-CG 3.21Å; E87-L91 PolarHBondContact O-N 2.93Å |
| 88 | Q | 97.3 | Very high | 87.2 | Confident | 40 Ų | 40 | 92.5 Ų | 92.5 | 19% | 0.187 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 175.4 | -73.5 | 173.9 | -35 | 0 | 0 | 111.1 | L84 S85 L91 L92 L114 | L84-Q88 HydrophobicContact CB-CB 4.18Å; L84-Q88 HydrophobicContact CD2-CB 4.44Å; S85-Q88 PolarHBondContact O-N 2.9Å; S85-Q88 VanDerWaalsContact O-N 3.16Å; Q88-L91 PolarHBondContact O-N 3.43Å; Q88-L92 WeakPolarHBondContact O-CB 3.37Å; Q88-L92 WeakPolarHBondContact O-CD1 3.24Å; Q88-L92 VanDerWaalsContact O-CG 3.27Å; Q88-L92 WeakPolarHBondContact O-CG 3.21Å; Q88-L92 PolarHBondContact O-N 2.91Å; Q88-L114 PolarHBondContact NE2-O 3.47Å |
| 89 | S | 95.9 | Very high | 89.3 | Confident | 44 Ų | 44 | 85.1 Ų | 85.1 | 31% | 0.308 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 178.2 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | L84 S85 K86 E87 L92 E93 | L84-S89 WeakPolarHBondContact CB-OG 3.46Å; S85-S89 WeakPolarHBondContact O-CB 3.41Å; S85-S89 PolarHBondContact O-N 2.96Å; S85-S89 PolarHBondContact O-OG 3.27Å; K86-S89 PolarHBondContact O-N 2.96Å; E87-S89 VanDerWaalsContact C-N 3.33Å; E87-S89 PolarHBondContact O-N 3.28Å; S89-L92 PolarHBondContact O-N 3.2Å; S89-E93 WeakPolarHBondContact O-CB 3.42Å; S89-E93 PolarHBondContact O-N 3.26Å |
| 90 | R | 97.3 | Very high | 91.5 | Very high | 116 Ų | 116 | 83.6 Ų | 83.6 | 44% | 0.438 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.2 | -47.9 | 176.8 | -170.2 | -172.6 | 72.1 | 74.9 | 0.4 | 112 | K86 E87 E93 E94 | K86-R90 WeakPolarHBondContact O-CB 3.26Å; K86-R90 PolarHBondContact O-N 3.4Å; E87-R90 PolarHBondContact O-N 3.26Å; E87-R90 IonicContact OE1-CZ 3.88Å; E87-R90 IonicContact OE1-NE 3.8Å; E87-R90 IonicContact OE1-NH2 3.54Å; E87-R90 PolarHBondContact OE1-NH2 2.92Å; E87-R90 IonicContact OE2-CZ 2.71Å; E87-R90 IonicContact OE2-NE 2.72Å; E87-R90 PolarHBondContact OE2-NE 3.44Å; E87-R90 IonicContact OE2-NH2 3.26Å; E87-R90 PolarHBondContact OE2-NH2 3.47Å; R90-E93 PolarHBondContact O-N 3.49Å; R90-E94 IonicContact NH1-OE2 3.67Å; R90-E94 PolarHBondContact NH1-OE2 3.36Å; R90-E94 WeakPolarHBondContact O-CB 3.49Å; R90-E94 PolarHBondContact O-N 2.94Å |
| 91 | L | 97 | Very high | 93.2 | Very high | 24 Ų | 24 | 78.2 Ų | 78.2 | 13% | 0.126 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.7 | -34.7 | -179.8 | -71.5 | 174.4 | 0 | 0 | 0 | 112.9 | E87 Q88 S95 L114 | E87-L91 HydrophobicContact CG-CD1 4.28Å; E87-L91 WeakPolarHBondContact O-CG 3.21Å; E87-L91 PolarHBondContact O-N 2.93Å; Q88-L91 PolarHBondContact O-N 3.43Å; L91-S95 WeakPolarHBondContact O-CB 3.37Å; L91-S95 PolarHBondContact O-N 3.39Å; L91-L114 HydrophobicContact CB-CD2 3.64Å; L91-L114 HydrophobicContact CD1-CD2 3.46Å; L91-L114 VanDerWaalsContact CD1-CD2 3.46Å; L91-L114 HydrophobicContact CG-CD2 4.2Å |
| 92 | L | 98.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 172.2 | -75.6 | 162.3 | 0 | 0 | 0 | 111.2 | L84 Q88 S89 S95 F96 L110 L114 L116 V121 W124 F125 | L84-L92 HydrophobicContact CD1-CD1 3.54Å; L84-L92 HydrophobicContact CD2-CD1 4.49Å; Q88-L92 WeakPolarHBondContact O-CB 3.37Å; Q88-L92 WeakPolarHBondContact O-CD1 3.24Å; Q88-L92 VanDerWaalsContact O-CG 3.27Å; Q88-L92 WeakPolarHBondContact O-CG 3.21Å; Q88-L92 PolarHBondContact O-N 2.91Å; S89-L92 PolarHBondContact O-N 3.2Å; L92-S95 PolarHBondContact O-N 2.99Å; L92-F96 WeakPolarHBondContact O-CB 3.39Å; L92-F96 PolarHBondContact O-N 2.93Å; L92-L110 HydrophobicContact CD2-CD2 3.98Å; L92-L110 HydrophobicContact CD2-CG 4.49Å; L92-L114 HydrophobicContact CD1-CD1 4.2Å; L92-L114 HydrophobicContact CD2-CD1 3.59Å; L92-L114 HydrophobicContact CG-CD1 3.56Å; L92-L116 HydrophobicContact CD1-CD1 4.45Å; L92-V121 HydrophobicContact CD2-CG1 4.11Å; L92-V121 HydrophobicContact CD2-CG2 4.48Å; L92-W124 VanDerWaalsContact C-CH2 3.46Å; L92-W124 HydrophobicContact CB-CD2 3.79Å; L92-W124 HydrophobicContact CB-CE3 3.84Å; L92-W124 HydrophobicContact CB-CH2 3.69Å; L92-W124 HydrophobicContact CB-CZ2 3.58Å; L92-W124 HydrophobicContact CB-CZ3 3.8Å; L92-W124 HydrophobicContact CD1-CB 4.49Å; L92-W124 HydrophobicContact CD1-CD2 3.87Å; L92-W124 HydrophobicContact CD1-CG 3.81Å; L92-W124 HydrophobicContact CD2-CD2 4.16Å; L92-W124 HydrophobicContact CD2-CE3 4.04Å; L92-W124 HydrophobicContact CD2-CG 4.46Å; L92-W124 HydrophobicContact CG-CD2 4.15Å; L92-W124 HydrophobicContact CG-CE3 4.35Å; L92-F125 HydrophobicContact CD2-CE2 4.06Å |
| 93 | E | 97.8 | Very high | 95.5 | Very high | 45 Ų | 45 | 70.1 Ų | 70.1 | 21% | 0.21 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.3 | -37.5 | 177.9 | -165 | 64.6 | -147.8 | 0 | 0 | 112.5 | S89 R90 F96 R97 W124 R128 | S89-E93 WeakPolarHBondContact O-CB 3.42Å; S89-E93 PolarHBondContact O-N 3.26Å; R90-E93 PolarHBondContact O-N 3.49Å; E93-F96 PolarHBondContact O-N 3.43Å; E93-R97 WeakPolarHBondContact O-CB 3.27Å; E93-R97 WeakPolarHBondContact O-CG 3.45Å; E93-R97 PolarHBondContact O-N 3.02Å; E93-R97 PolarHBondContact O-NE 3.4Å; E93-W124 HydrophobicContact CB-CH2 4.42Å; E93-W124 WeakPolarHBondContact OE2-CH2 3.48Å; E93-R128 IonicContact OE1-CZ 2.94Å; E93-R128 VanDerWaalsContact OE1-CZ 3.26Å; E93-R128 IonicContact OE1-NE 2.74Å; E93-R128 PolarHBondContact OE1-NE 3.18Å; E93-R128 IonicContact OE1-NH2 3.4Å; E93-R128 PolarHBondContact OE1-NH2 3.44Å; E93-R128 IonicContact OE2-CZ 2.96Å; E93-R128 IonicContact OE2-NE 3.26Å; E93-R128 PolarHBondContact OE2-NE 3.27Å; E93-R128 IonicContact OE2-NH2 3.56Å |
| 94 | E | 97.2 | Very high | 96.1 | Very high | 79 Ų | 79 | 68.2 Ų | 68.2 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 173.1 | -171.9 | 179.7 | 168.2 | 0 | 0 | 111.6 | R90 F96 R97 L98 | R90-E94 IonicContact NH1-OE2 3.67Å; R90-E94 PolarHBondContact NH1-OE2 3.36Å; R90-E94 WeakPolarHBondContact O-CB 3.49Å; R90-E94 PolarHBondContact O-N 2.94Å; E94-F96 VanDerWaalsContact C-N 3.33Å; E94-F96 PolarHBondContact O-N 3.36Å; E94-R97 PolarHBondContact O-N 3.35Å; E94-L98 PolarHBondContact O-N 2.71Å |
| 95 | S | 96.8 | Very high | 96.4 | Very high | 28 Ų | 28 | 74.6 Ų | 74.6 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | L91 L92 L98 N99 | L91-S95 WeakPolarHBondContact O-CB 3.37Å; L91-S95 PolarHBondContact O-N 3.39Å; L92-S95 PolarHBondContact O-N 2.99Å; S95-L98 PolarHBondContact O-N 3.46Å; S95-N99 PolarHBondContact O-N 2.93Å |
| 96 | F | 97.6 | Very high | 96.5 | Very high | 5 Ų | 5 | 75.2 Ų | 75.2 | 2% | 0.022 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 176.7 | -172.8 | -97 | 0 | 0 | 0 | 111.7 | L92 E93 E94 L98 N99 H100 W124 F125 R128 R129 | L92-F96 WeakPolarHBondContact O-CB 3.39Å; L92-F96 PolarHBondContact O-N 2.93Å; E93-F96 PolarHBondContact O-N 3.43Å; E94-F96 VanDerWaalsContact C-N 3.33Å; E94-F96 PolarHBondContact O-N 3.36Å; F96-L98 PolarHBondContact O-N 2.82Å; F96-N99 CarbonylContact O-C 3.08Å; F96-N99 PolarHBondContact O-N 3.04Å; F96-H100 AromaticContact CD1-CD2 3.58Å; F96-H100 AromaticContact CE1-CD2 3.27Å; F96-H100 WeakPolarHBondContact CE1-CD2 3.38Å; F96-H100 AromaticContact CE1-NE2 3.63Å; F96-H100 HydrophobicContact CE2-CB 4.01Å; F96-H100 AromaticContact CE2-CD2 3.97Å; F96-H100 HydrophobicContact CZ-CB 4.04Å; F96-H100 AromaticContact CZ-CD2 3.48Å; F96-H100 VanDerWaalsContact CZ-CD2 3.48Å; F96-H100 WeakPolarHBondContact CZ-CD2 3.44Å; F96-H100 AromaticContact CZ-CG 3.85Å; F96-H100 PolarHBondContact O-CD2 2.86Å; F96-H100 PolarHBondContact O-N 3.43Å; F96-W124 HydrophobicContact CB-CH2 4.06Å; F96-W124 HydrophobicContact CB-CZ3 3.91Å; F96-W124 HydrophobicContact CD2-CZ3 4.21Å; F96-W124 HydrophobicContact CG-CH2 4.49Å; F96-W124 HydrophobicContact CG-CZ3 4.28Å; F96-F125 HydrophobicContact CB-CE1 4.18Å; F96-F125 HydrophobicContact CB-CZ 4.22Å; F96-F125 AromaticContact CD2-CD1 3.72Å; F96-F125 HydrophobicContact CD2-CD1 3.72Å; F96-F125 AromaticContact CD2-CE1 3.68Å; F96-F125 HydrophobicContact CD2-CE1 3.68Å; F96-F125 HydrophobicContact CD2-CZ 4.42Å; F96-F125 HydrophobicContact CE2-CD1 4.31Å; F96-F125 HydrophobicContact CG-CE1 4.41Å; F96-R128 HydrophobicContact CD1-CG 3.79Å; F96-R128 HydrophobicContact CD2-CB 4.22Å; F96-R128 HydrophobicContact CD2-CG 3.78Å; F96-R128 HydrophobicContact CE1-CG 3.69Å; F96-R128 HydrophobicContact CE2-CB 4.03Å; F96-R128 HydrophobicContact CE2-CG 3.68Å; F96-R128 HydrophobicContact CG-CG 3.85Å; F96-R128 HydrophobicContact CZ-CB 4.36Å; F96-R128 HydrophobicContact CZ-CG 3.64Å; F96-R129 HydrophobicContact CE2-CG 3.81Å; F96-R129 HydrophobicContact CZ-CG 4.1Å |
| 97 | R | 96.1 | Very high | 96.7 | Very high | 134 Ų | 134 | 69.7 Ų | 69.7 | 51% | 0.506 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56 | -32.5 | 177.1 | -80.7 | 179.5 | -83 | 143.4 | -8.2 | 113.2 | P49 E93 E94 | P49-R97 HydrophobicContact CB-CG 4.49Å; E93-R97 WeakPolarHBondContact O-CB 3.27Å; E93-R97 WeakPolarHBondContact O-CG 3.45Å; E93-R97 PolarHBondContact O-N 3.02Å; E93-R97 PolarHBondContact O-NE 3.4Å; E94-R97 PolarHBondContact O-N 3.35Å |
| 98 | L | 95.4 | Very high | 96.8 | Very high | 131 Ų | 131 | 71 Ų | 71 | 69% | 0.686 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -77 | -43.6 | 175.1 | -65.6 | 172.3 | 0 | 0 | 0 | 111.9 | E94 S95 F96 | E94-L98 PolarHBondContact O-N 2.71Å; S95-L98 PolarHBondContact O-N 3.46Å; F96-L98 PolarHBondContact O-N 2.82Å |
| 99 | N | 94.6 | Very high | 96.8 | Very high | 85 Ų | 85 | 72 Ų | 72 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | trans | -148.1 | 116.4 | -179.8 | -67.5 | -65.6 | 0 | 0 | 0 | 111.3 | S95 F96 T101 F125 | S95-N99 PolarHBondContact O-N 2.93Å; F96-N99 CarbonylContact O-C 3.08Å; F96-N99 PolarHBondContact O-N 3.04Å; N99-T101 PolarHBondContact O-N 2.96Å; N99-T101 VanDerWaalsContact O-N 3.16Å; N99-F125 WeakPolarHBondContact O-CE1 3.3Å | ||
| 100 | H | 95.8 | Very high | 96.9 | Very high | 41 Ų | 41 | 70.8 Ų | 70.8 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -69.8 | -11.2 | 178.2 | -58.9 | 157 | 0 | 0 | 0 | 114.2 | F96 R129 | F96-H100 AromaticContact CD1-CD2 3.58Å; F96-H100 AromaticContact CE1-CD2 3.27Å; F96-H100 WeakPolarHBondContact CE1-CD2 3.38Å; F96-H100 AromaticContact CE1-NE2 3.63Å; F96-H100 HydrophobicContact CE2-CB 4.01Å; F96-H100 AromaticContact CE2-CD2 3.97Å; F96-H100 HydrophobicContact CZ-CB 4.04Å; F96-H100 AromaticContact CZ-CD2 3.48Å; F96-H100 VanDerWaalsContact CZ-CD2 3.48Å; F96-H100 WeakPolarHBondContact CZ-CD2 3.44Å; F96-H100 AromaticContact CZ-CG 3.85Å; F96-H100 PolarHBondContact O-CD2 2.86Å; F96-H100 PolarHBondContact O-N 3.43Å; H100-R129 PolarHBondContact O-NH1 2.99Å |
| 101 | T | 96.1 | Very high | 96.9 | Very high | 101 Ų | 101 | 65.4 Ų | 65.4 | 62% | 0.62 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -127.9 | 132.7 | 177.6 | 62.8 | 0 | 0 | 0 | 0 | 109.8 | N99 | N99-T101 PolarHBondContact O-N 2.96Å; N99-T101 VanDerWaalsContact O-N 3.16Å |
| 102 | L | 95.2 | Very high | 97 | Very high | 39 Ų | 39 | 69.8 Ų | 69.8 | 20% | 0.204 | 37% | 0.366 | C | S | . | . | trans | -102.3 | 131.7 | 177.5 | -65.3 | 179 | 0 | 0 | 0 | 110.1 | Q106 K107 L110 V121 F125 | L102-Q106 HydrophobicContact CB-CB 4.46Å; L102-Q106 HydrophobicContact CD2-CB 4.08Å; L102-K107 HydrophobicContact CB-CB 4.31Å; L102-K107 HydrophobicContact CD1-CB 4.33Å; L102-L110 HydrophobicContact CD1-CD2 3.99Å; L102-V121 HydrophobicContact CD1-CG1 3.64Å; L102-F125 HydrophobicContact CD1-CD1 4.14Å; L102-F125 HydrophobicContact CD1-CD2 3.59Å; L102-F125 HydrophobicContact CD1-CE1 3.91Å; L102-F125 HydrophobicContact CD1-CE2 3.36Å; L102-F125 HydrophobicContact CD1-CG 4Å; L102-F125 HydrophobicContact CD1-CZ 3.53Å; L102-F125 HydrophobicContact CD2-CE1 3.87Å; L102-F125 HydrophobicContact CD2-CE2 4.42Å; L102-F125 HydrophobicContact CD2-CZ 3.74Å; L102-F125 HydrophobicContact CG-CD1 3.86Å; L102-F125 HydrophobicContact CG-CD2 4.24Å; L102-F125 HydrophobicContact CG-CE1 3.52Å; L102-F125 HydrophobicContact CG-CE2 3.96Å; L102-F125 HydrophobicContact CG-CG 4.22Å; L102-F125 HydrophobicContact CG-CZ 3.59Å | ||
| 103 | T | 96.6 | Very high | 96.9 | Very high | 71 Ų | 71 | 76.6 Ų | 76.6 | 44% | 0.436 | 40% | 0.396 | S | S | . | . | trans | -67.1 | 159.1 | 162.4 | 63 | 0 | 0 | 0 | 0 | 110.6 | K105 Q106 K107 | T103-K105 VanDerWaalsContact C-N 3.29Å; T103-K105 PolarHBondContact O-N 2.89Å; T103-Q106 PolarHBondContact O-N 3.16Å; T103-Q106 VanDerWaalsContact O-N 3.17Å; T103-Q106 WeakPolarHBondContact OG1-CB 3.37Å; T103-Q106 VanDerWaalsContact OG1-CD 3.23Å; T103-Q106 VanDerWaalsContact OG1-CG 3.24Å; T103-Q106 WeakPolarHBondContact OG1-CG 3.47Å; T103-Q106 PolarHBondContact OG1-N 2.99Å; T103-Q106 PolarHBondContact OG1-OE1 2.91Å; T103-K107 PolarHBondContact O-N 3.38Å | ||
| 104 | P | 97.4 | Very high | 96.9 | Very high | 93 Ų | 93 | 74.8 Ų | 74.8 | 60% | 0.604 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -52.9 | -44.4 | 177.2 | -28.2 | 35.9 | 0 | 0 | 0 | 113.3 | Q106 K107 E108 | P104-Q106 PolarHBondContact O-N 3.3Å; P104-K107 WeakPolarHBondContact O-CB 3.34Å; P104-K107 PolarHBondContact O-N 3.32Å; P104-E108 WeakPolarHBondContact O-CG 3.42Å; P104-E108 PolarHBondContact O-N 3.45Å |
| 105 | K | 97.2 | Very high | 96.8 | Very high | 175 Ų | 175 | 80.1 Ų | 80.1 | 76% | 0.761 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.4 | -42 | 178.6 | -172.8 | 177 | -179.7 | 178.3 | 0 | 112.7 | T103 A109 | T103-K105 VanDerWaalsContact C-N 3.29Å; T103-K105 PolarHBondContact O-N 2.89Å; K105-A109 WeakPolarHBondContact O-CB 3.35Å; K105-A109 PolarHBondContact O-N 3.46Å |
| 106 | Q | 97.2 | Very high | 96.8 | Very high | 78 Ų | 78 | 79.7 Ų | 79.7 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 175.8 | -72 | 164.9 | -36.1 | 0 | 0 | 111.5 | L102 T103 P104 A109 L110 | L102-Q106 HydrophobicContact CB-CB 4.46Å; L102-Q106 HydrophobicContact CD2-CB 4.08Å; T103-Q106 PolarHBondContact O-N 3.16Å; T103-Q106 VanDerWaalsContact O-N 3.17Å; T103-Q106 WeakPolarHBondContact OG1-CB 3.37Å; T103-Q106 VanDerWaalsContact OG1-CD 3.23Å; T103-Q106 VanDerWaalsContact OG1-CG 3.24Å; T103-Q106 WeakPolarHBondContact OG1-CG 3.47Å; T103-Q106 PolarHBondContact OG1-N 2.99Å; T103-Q106 PolarHBondContact OG1-OE1 2.91Å; P104-Q106 PolarHBondContact O-N 3.3Å; Q106-A109 PolarHBondContact O-N 2.84Å; Q106-L110 VanDerWaalsContact O-CB 3.26Å; Q106-L110 WeakPolarHBondContact O-CB 3.48Å; Q106-L110 PolarHBondContact O-N 2.97Å |
| 107 | K | 98.2 | Very high | 96.7 | Very high | 45 Ų | 45 | 88.5 Ų | 88.5 | 20% | 0.196 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.7 | -47 | 176 | 178.6 | 178.4 | 64.5 | 177 | 0 | 111.3 | L102 T103 P104 A111 P118 V121 E122 | L102-K107 HydrophobicContact CB-CB 4.31Å; L102-K107 HydrophobicContact CD1-CB 4.33Å; T103-K107 PolarHBondContact O-N 3.38Å; P104-K107 WeakPolarHBondContact O-CB 3.34Å; P104-K107 PolarHBondContact O-N 3.32Å; K107-A111 WeakPolarHBondContact O-CB 3.45Å; K107-A111 PolarHBondContact O-N 3.31Å; K107-P118 HydrophobicContact CD-CB 4.32Å; K107-P118 WeakPolarHBondContact CD-O 3.38Å; K107-P118 HydrophobicContact CG-CB 4.25Å; K107-V121 HydrophobicContact CG-CB 4.43Å; K107-V121 HydrophobicContact CG-CG1 4.35Å; K107-E122 HydrophobicContact CD-CB 3.93Å; K107-E122 IonicContact NZ-OE1 2.92Å; K107-E122 PolarHBondContact NZ-OE1 3.32Å |
| 108 | E | 98.2 | Very high | 96.8 | Very high | 117 Ų | 117 | 84.8 Ų | 84.8 | 55% | 0.547 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.9 | -48.7 | 177.2 | -74.2 | 175.7 | -166.5 | 0 | 0 | 111.8 | P104 L110 A111 V112 | P104-E108 WeakPolarHBondContact O-CG 3.42Å; P104-E108 PolarHBondContact O-N 3.45Å; E108-L110 VanDerWaalsContact C-N 3.32Å; E108-L110 PolarHBondContact O-N 3.03Å; E108-A111 WeakPolarHBondContact O-CB 3.27Å; E108-A111 PolarHBondContact O-N 3.37Å; E108-V112 WeakPolarHBondContact O-CG2 3.48Å; E108-V112 PolarHBondContact O-N 3.49Å |
| 109 | A | 97.7 | Very high | 96.9 | Very high | 61 Ų | 61 | 85.6 Ų | 85.6 | 50% | 0.504 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K105 Q106 V112 K113 | K105-A109 WeakPolarHBondContact O-CB 3.35Å; K105-A109 PolarHBondContact O-N 3.46Å; Q106-A109 PolarHBondContact O-N 2.84Å; A109-V112 PolarHBondContact O-N 3.29Å; A109-K113 WeakPolarHBondContact O-CB 3.42Å; A109-K113 PolarHBondContact O-N 3.44Å |
| 110 | L | 97.7 | Very high | 96.9 | Very high | 18 Ų | 18 | 84.2 Ų | 84.2 | 9% | 0.094 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -68.3 | -39.4 | 177.7 | -170.2 | 60.1 | 0 | 0 | 0 | 111.6 | L92 L102 Q106 E108 K113 L114 V121 F125 | L92-L110 HydrophobicContact CD2-CD2 3.98Å; L92-L110 HydrophobicContact CD2-CG 4.49Å; L102-L110 HydrophobicContact CD1-CD2 3.99Å; Q106-L110 VanDerWaalsContact O-CB 3.26Å; Q106-L110 WeakPolarHBondContact O-CB 3.48Å; Q106-L110 PolarHBondContact O-N 2.97Å; E108-L110 VanDerWaalsContact C-N 3.32Å; E108-L110 PolarHBondContact O-N 3.03Å; L110-K113 PolarHBondContact O-N 3.37Å; L110-L114 HydrophobicContact CD1-CD1 3.83Å; L110-L114 HydrophobicContact CD1-CG 4.09Å; L110-L114 HydrophobicContact CG-CD1 3.79Å; L110-L114 HydrophobicContact CG-CG 4.36Å; L110-L114 WeakPolarHBondContact O-CB 3.27Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 3.33Å; L110-V121 HydrophobicContact CD2-CG1 3.86Å; L110-V121 HydrophobicContact CG-CG1 4.35Å; L110-F125 HydrophobicContact CD2-CE2 3.94Å; L110-F125 HydrophobicContact CD2-CZ 4.35Å |
| 111 | A | 97.7 | Very high | 97 | Very high | 2 Ų | 2 | 82.2 Ų | 82.2 | 2% | 0.017 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K107 E108 L114 K115 L116 P118 V121 | K107-A111 WeakPolarHBondContact O-CB 3.45Å; K107-A111 PolarHBondContact O-N 3.31Å; E108-A111 WeakPolarHBondContact O-CB 3.27Å; E108-A111 PolarHBondContact O-N 3.37Å; A111-L114 PolarHBondContact O-N 2.89Å; A111-K115 PolarHBondContact O-N 3.07Å; A111-L116 CarbonylContact C-O 3.53Å; A111-L116 WeakPolarHBondContact CB-O 3.44Å; A111-L116 PolarHBondContact O-N 2.89Å; A111-P118 HydrophobicContact CB-CB 4.39Å; A111-P118 HydrophobicContact CB-CG 4.01Å; A111-V121 HydrophobicContact CB-CG2 3.98Å |
| 112 | V | 97.7 | Very high | 97.1 | Very high | 117 Ų | 117 | 80 Ų | 80 | 71% | 0.709 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.2 | -49.7 | 174.7 | 174 | 0 | 0 | 0 | 0 | 111 | E108 A109 L114 K115 | E108-V112 WeakPolarHBondContact O-CG2 3.48Å; E108-V112 PolarHBondContact O-N 3.49Å; A109-V112 PolarHBondContact O-N 3.29Å; V112-L114 PolarHBondContact O-N 2.9Å; V112-K115 PolarHBondContact O-N 2.74Å; V112-K115 VanDerWaalsContact O-N 3.14Å |
| 113 | K | 97 | Very high | 97.1 | Very high | 143 Ų | 143 | 80.4 Ų | 80.4 | 62% | 0.622 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -57.2 | -38 | -180 | -176.2 | 178.2 | 179.5 | -178.3 | 0 | 112.6 | A109 L110 | A109-K113 WeakPolarHBondContact O-CB 3.42Å; A109-K113 PolarHBondContact O-N 3.44Å; L110-K113 PolarHBondContact O-N 3.37Å |
| 114 | L | 96.6 | Very high | 97.2 | Very high | 8 Ų | 8 | 79.1 Ų | 79.1 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -91.9 | -2.3 | -176.6 | -61 | 178.3 | 0 | 0 | 0 | 114 | Q88 L91 L92 L110 A111 V112 L116 | Q88-L114 PolarHBondContact NE2-O 3.47Å; L91-L114 HydrophobicContact CB-CD2 3.64Å; L91-L114 HydrophobicContact CD1-CD2 3.46Å; L91-L114 VanDerWaalsContact CD1-CD2 3.46Å; L91-L114 HydrophobicContact CG-CD2 4.2Å; L92-L114 HydrophobicContact CD1-CD1 4.2Å; L92-L114 HydrophobicContact CD2-CD1 3.59Å; L92-L114 HydrophobicContact CG-CD1 3.56Å; L110-L114 HydrophobicContact CD1-CD1 3.83Å; L110-L114 HydrophobicContact CD1-CG 4.09Å; L110-L114 HydrophobicContact CG-CD1 3.79Å; L110-L114 HydrophobicContact CG-CG 4.36Å; L110-L114 WeakPolarHBondContact O-CB 3.27Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 3.33Å; A111-L114 PolarHBondContact O-N 2.89Å; V112-L114 PolarHBondContact O-N 2.9Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-L116 HydrophobicContact CB-CB 4.41Å; L114-L116 HydrophobicContact CB-CD1 3.81Å; L114-L116 HydrophobicContact CB-CG 3.89Å; L114-L116 HydrophobicContact CD1-CD1 4.1Å; L114-L116 PolarHBondContact O-N 3.21Å |
| 115 | K | 96.5 | Very high | 97.2 | Very high | 191 Ų | 191 | 74.9 Ų | 74.9 | 83% | 0.83 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 45.1 | -170.7 | -55.7 | -177.5 | 179.2 | -176.1 | 0 | 112.2 | A111 V112 | A111-K115 PolarHBondContact O-N 3.07Å; V112-K115 PolarHBondContact O-N 2.74Å; V112-K115 VanDerWaalsContact O-N 3.14Å |
| 116 | L | 96.1 | Very high | 97.2 | Very high | 19 Ų | 19 | 70.4 Ų | 70.4 | 10% | 0.099 | 33% | 0.334 | C | S | . | . | trans | -118.7 | 160.4 | 178.8 | -64.9 | 176.1 | 0 | 0 | 0 | 110.4 | L82 L84 L92 A111 L114 Q120 V121 | L82-L116 HydrophobicContact CD2-CD2 4.45Å; L84-L116 HydrophobicContact CD2-CD1 3.56Å; L84-L116 HydrophobicContact CD2-CD2 3.83Å; L84-L116 HydrophobicContact CD2-CG 4.36Å; L92-L116 HydrophobicContact CD1-CD1 4.45Å; A111-L116 CarbonylContact C-O 3.53Å; A111-L116 WeakPolarHBondContact CB-O 3.44Å; A111-L116 PolarHBondContact O-N 2.89Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-L116 HydrophobicContact CB-CB 4.41Å; L114-L116 HydrophobicContact CB-CD1 3.81Å; L114-L116 HydrophobicContact CB-CG 3.89Å; L114-L116 HydrophobicContact CD1-CD1 4.1Å; L114-L116 PolarHBondContact O-N 3.21Å; L116-Q120 HydrophobicContact CB-CB 4.42Å; L116-V121 HydrophobicContact CB-CG2 4.27Å; L116-V121 HydrophobicContact CD1-CG2 4.39Å | ||
| 117 | R | 96.3 | Very high | 97.2 | Very high | 189 Ų | 189 | 70.7 Ų | 70.7 | 71% | 0.713 | 34% | 0.339 | S | S | * | . | trans | -72.3 | 142.7 | 168.4 | -61.7 | -174.6 | 177.3 | -144.4 | -1.1 | 109.6 | R119 Q120 V121 | R117-R119 PolarHBondContact O-N 2.84Å; R117-Q120 HydrophobicContact CB-CG 4.12Å; R117-Q120 WeakPolarHBondContact O-CB 3.49Å; R117-Q120 PolarHBondContact O-N 3.01Å; R117-V121 PolarHBondContact O-N 2.83Å | ||
| 118 | P | 97.4 | Very high | 97.2 | Very high | 56 Ų | 56 | 71.7 Ų | 71.7 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -51.2 | -35.3 | 175.8 | -29.5 | 35.6 | 0 | 0 | 0 | 113.8 | K107 A111 Q120 V121 E122 | K107-P118 HydrophobicContact CD-CB 4.32Å; K107-P118 WeakPolarHBondContact CD-O 3.38Å; K107-P118 HydrophobicContact CG-CB 4.25Å; A111-P118 HydrophobicContact CB-CB 4.39Å; A111-P118 HydrophobicContact CB-CG 4.01Å; P118-Q120 PolarHBondContact O-N 3.27Å; P118-V121 PolarHBondContact O-N 3.41Å; P118-E122 WeakPolarHBondContact O-CB 3.41Å; P118-E122 PolarHBondContact O-N 2.93Å |
| 119 | R | 96.7 | Very high | 97.2 | Very high | 148 Ų | 148 | 70.6 Ų | 70.6 | 56% | 0.558 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.7 | -35.8 | 175.5 | -177 | 57.3 | 177 | -176.9 | -1 | 113.4 | R117 E122 V123 | R117-R119 PolarHBondContact O-N 2.84Å; R119-E122 VanDerWaalsContact CD-OE2 3.27Å; R119-E122 WeakPolarHBondContact CD-OE2 3.45Å; R119-E122 IonicContact CZ-OE2 2.82Å; R119-E122 IonicContact NE-OE2 3.88Å; R119-E122 IonicContact NH1-OE2 3.62Å; R119-E122 PolarHBondContact NH1-OE2 2.72Å; R119-E122 PolarHBondContact O-N 3.41Å; R119-V123 HydrophobicContact CG-CG2 4.35Å; R119-V123 WeakPolarHBondContact O-CB 3.41Å; R119-V123 VanDerWaalsContact O-CG2 3.3Å; R119-V123 WeakPolarHBondContact O-CG2 3.33Å; R119-V123 PolarHBondContact O-N 2.91Å |
| 120 | Q | 96.6 | Very high | 97.2 | Very high | 56 Ų | 56 | 70.5 Ų | 70.5 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67 | -42.6 | 178.6 | -66 | 171.5 | -46.2 | 0 | 0 | 110.6 | L82 L116 R117 P118 W124 | L82-Q120 VanDerWaalsContact CD1-NE2 3.26Å; L82-Q120 HydrophobicContact CD2-CB 3.76Å; L82-Q120 HydrophobicContact CD2-CG 3.6Å; L116-Q120 HydrophobicContact CB-CB 4.42Å; R117-Q120 HydrophobicContact CB-CG 4.12Å; R117-Q120 WeakPolarHBondContact O-CB 3.49Å; R117-Q120 PolarHBondContact O-N 3.01Å; P118-Q120 PolarHBondContact O-N 3.27Å; Q120-W124 WeakPolarHBondContact O-CB 3.35Å; Q120-W124 PolarHBondContact O-N 2.96Å |
| 121 | V | 97.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 173.5 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | L92 L102 K107 L110 A111 L116 R117 P118 V123 W124 F125 | L92-V121 HydrophobicContact CD2-CG1 4.11Å; L92-V121 HydrophobicContact CD2-CG2 4.48Å; L102-V121 HydrophobicContact CD1-CG1 3.64Å; K107-V121 HydrophobicContact CG-CB 4.43Å; K107-V121 HydrophobicContact CG-CG1 4.35Å; L110-V121 HydrophobicContact CD2-CG1 3.86Å; L110-V121 HydrophobicContact CG-CG1 4.35Å; A111-V121 HydrophobicContact CB-CG2 3.98Å; L116-V121 HydrophobicContact CB-CG2 4.27Å; L116-V121 HydrophobicContact CD1-CG2 4.39Å; R117-V121 PolarHBondContact O-N 2.83Å; P118-V121 PolarHBondContact O-N 3.41Å; V121-V123 PolarHBondContact O-N 3.18Å; V121-W124 PolarHBondContact O-N 2.87Å; V121-F125 HydrophobicContact CG1-CD2 4.01Å; V121-F125 HydrophobicContact CG1-CE2 4.13Å; V121-F125 WeakPolarHBondContact O-CD2 3.34Å; V121-F125 PolarHBondContact O-N 2.94Å |
| 122 | E | 96.9 | Very high | 97.1 | Very high | 55 Ų | 55 | 80 Ų | 80 | 26% | 0.257 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 178 | 179.1 | 173.2 | -101.2 | 0 | 0 | 112.9 | K107 P118 R119 W124 F125 Q126 | K107-E122 HydrophobicContact CD-CB 3.93Å; K107-E122 IonicContact NZ-OE1 2.92Å; K107-E122 PolarHBondContact NZ-OE1 3.32Å; P118-E122 WeakPolarHBondContact O-CB 3.41Å; P118-E122 PolarHBondContact O-N 2.93Å; R119-E122 VanDerWaalsContact CD-OE2 3.27Å; R119-E122 WeakPolarHBondContact CD-OE2 3.45Å; R119-E122 IonicContact CZ-OE2 2.82Å; R119-E122 IonicContact NE-OE2 3.88Å; R119-E122 IonicContact NH1-OE2 3.62Å; R119-E122 PolarHBondContact NH1-OE2 2.72Å; R119-E122 PolarHBondContact O-N 3.41Å; E122-W124 VanDerWaalsContact C-N 3.31Å; E122-W124 PolarHBondContact O-N 3.38Å; E122-F125 PolarHBondContact O-N 3.4Å; E122-Q126 WeakPolarHBondContact O-CG 3.41Å; E122-Q126 PolarHBondContact O-N 3.45Å |
| 123 | V | 96.4 | Very high | 97.1 | Very high | 47 Ų | 47 | 81.7 Ų | 81.7 | 29% | 0.285 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 177.9 | 169.7 | 0 | 0 | 0 | 0 | 111 | R119 V121 Q126 N127 | R119-V123 HydrophobicContact CG-CG2 4.35Å; R119-V123 WeakPolarHBondContact O-CB 3.41Å; R119-V123 VanDerWaalsContact O-CG2 3.3Å; R119-V123 WeakPolarHBondContact O-CG2 3.33Å; R119-V123 PolarHBondContact O-N 2.91Å; V121-V123 PolarHBondContact O-N 3.18Å; V123-Q126 PolarHBondContact O-N 3.07Å; V123-N127 WeakPolarHBondContact O-CB 3.4Å; V123-N127 PolarHBondContact O-N 2.96Å; V123-N127 PolarHBondContact O-ND2 2.94Å |
| 124 | W | 97.5 | Very high | 97.1 | Very high | 44 Ų | 44 | 79.7 Ų | 79.7 | 17% | 0.167 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 174.7 | -173.5 | 95.1 | 0 | 0 | 0 | 111.2 | L84 L92 E93 F96 Q120 V121 E122 Q126 N127 R128 | L84-W124 HydrophobicContact CD1-CG 4.18Å; L92-W124 VanDerWaalsContact C-CH2 3.46Å; L92-W124 HydrophobicContact CB-CD2 3.79Å; L92-W124 HydrophobicContact CB-CE3 3.84Å; L92-W124 HydrophobicContact CB-CH2 3.69Å; L92-W124 HydrophobicContact CB-CZ2 3.58Å; L92-W124 HydrophobicContact CB-CZ3 3.8Å; L92-W124 HydrophobicContact CD1-CB 4.49Å; L92-W124 HydrophobicContact CD1-CD2 3.87Å; L92-W124 HydrophobicContact CD1-CG 3.81Å; L92-W124 HydrophobicContact CD2-CD2 4.16Å; L92-W124 HydrophobicContact CD2-CE3 4.04Å; L92-W124 HydrophobicContact CD2-CG 4.46Å; L92-W124 HydrophobicContact CG-CD2 4.15Å; L92-W124 HydrophobicContact CG-CE3 4.35Å; E93-W124 HydrophobicContact CB-CH2 4.42Å; E93-W124 WeakPolarHBondContact OE2-CH2 3.48Å; F96-W124 HydrophobicContact CB-CH2 4.06Å; F96-W124 HydrophobicContact CB-CZ3 3.91Å; F96-W124 HydrophobicContact CD2-CZ3 4.21Å; F96-W124 HydrophobicContact CG-CH2 4.49Å; F96-W124 HydrophobicContact CG-CZ3 4.28Å; Q120-W124 WeakPolarHBondContact O-CB 3.35Å; Q120-W124 PolarHBondContact O-N 2.96Å; V121-W124 PolarHBondContact O-N 2.87Å; E122-W124 VanDerWaalsContact C-N 3.31Å; E122-W124 PolarHBondContact O-N 3.38Å; W124-Q126 PolarHBondContact O-N 3.45Å; W124-N127 PolarHBondContact O-N 3.29Å; W124-R128 HydrophobicContact CE3-CB 4.29Å; W124-R128 HydrophobicContact CH2-CB 4.14Å; W124-R128 HydrophobicContact CH2-CG 3.95Å; W124-R128 HydrophobicContact CZ3-CB 3.97Å; W124-R128 HydrophobicContact CZ3-CG 4.13Å; W124-R128 WeakPolarHBondContact O-CB 3.36Å; W124-R128 PolarHBondContact O-N 3.08Å |
| 125 | F | 98 | Very high | 97.1 | Very high | 4 Ų | 4 | 83.6 Ų | 83.6 | 2% | 0.018 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 176.8 | -92.7 | -103.1 | 0 | 0 | 0 | 112.4 | L92 F96 N99 L102 L110 V121 E122 R128 R129 | L92-F125 HydrophobicContact CD2-CE2 4.06Å; F96-F125 HydrophobicContact CB-CE1 4.18Å; F96-F125 HydrophobicContact CB-CZ 4.22Å; F96-F125 AromaticContact CD2-CD1 3.72Å; F96-F125 HydrophobicContact CD2-CD1 3.72Å; F96-F125 AromaticContact CD2-CE1 3.68Å; F96-F125 HydrophobicContact CD2-CE1 3.68Å; F96-F125 HydrophobicContact CD2-CZ 4.42Å; F96-F125 HydrophobicContact CE2-CD1 4.31Å; F96-F125 HydrophobicContact CG-CE1 4.41Å; N99-F125 WeakPolarHBondContact O-CE1 3.3Å; L102-F125 HydrophobicContact CD1-CD1 4.14Å; L102-F125 HydrophobicContact CD1-CD2 3.59Å; L102-F125 HydrophobicContact CD1-CE1 3.91Å; L102-F125 HydrophobicContact CD1-CE2 3.36Å; L102-F125 HydrophobicContact CD1-CG 4Å; L102-F125 HydrophobicContact CD1-CZ 3.53Å; L102-F125 HydrophobicContact CD2-CE1 3.87Å; L102-F125 HydrophobicContact CD2-CE2 4.42Å; L102-F125 HydrophobicContact CD2-CZ 3.74Å; L102-F125 HydrophobicContact CG-CD1 3.86Å; L102-F125 HydrophobicContact CG-CD2 4.24Å; L102-F125 HydrophobicContact CG-CE1 3.52Å; L102-F125 HydrophobicContact CG-CE2 3.96Å; L102-F125 HydrophobicContact CG-CG 4.22Å; L102-F125 HydrophobicContact CG-CZ 3.59Å; L110-F125 HydrophobicContact CD2-CE2 3.94Å; L110-F125 HydrophobicContact CD2-CZ 4.35Å; V121-F125 HydrophobicContact CG1-CD2 4.01Å; V121-F125 HydrophobicContact CG1-CE2 4.13Å; V121-F125 WeakPolarHBondContact O-CD2 3.34Å; V121-F125 PolarHBondContact O-N 2.94Å; E122-F125 PolarHBondContact O-N 3.4Å; F125-R128 PolarHBondContact O-N 3.31Å; F125-R129 WeakPolarHBondContact O-CG 3.4Å; F125-R129 PolarHBondContact O-N 2.97Å |
| 126 | Q | 97.7 | Very high | 97 | Very high | 80 Ų | 80 | 76.3 Ų | 76.3 | 37% | 0.374 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.2 | -49.4 | 174 | -73.6 | 173.6 | 3.4 | 0 | 0 | 111.5 | E122 V123 W124 R128 R129 A130 | E122-Q126 WeakPolarHBondContact O-CG 3.41Å; E122-Q126 PolarHBondContact O-N 3.45Å; V123-Q126 PolarHBondContact O-N 3.07Å; W124-Q126 PolarHBondContact O-N 3.45Å; Q126-R128 VanDerWaalsContact C-N 3.35Å; Q126-R128 PolarHBondContact O-N 3.33Å; Q126-R129 PolarHBondContact O-N 3.17Å; Q126-A130 WeakPolarHBondContact O-CB 3.37Å; Q126-A130 PolarHBondContact O-N 3.22Å |
| 127 | N | 97.5 | Very high | 97 | Very high | 85 Ų | 85 | 78.8 Ų | 78.8 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 178.8 | -74.9 | -22.7 | 0 | 0 | 0 | 112 | V123 W124 A130 R131 | V123-N127 WeakPolarHBondContact O-CB 3.4Å; V123-N127 PolarHBondContact O-N 2.96Å; V123-N127 PolarHBondContact O-ND2 2.94Å; W124-N127 PolarHBondContact O-N 3.29Å; N127-A130 PolarHBondContact O-N 3.34Å; N127-R131 WeakPolarHBondContact O-CG 3.47Å; N127-R131 PolarHBondContact O-N 2.89Å |
| 128 | R | 97.5 | Very high | 97.1 | Very high | 66 Ų | 66 | 74.9 Ų | 74.9 | 25% | 0.249 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 176.8 | -173.6 | 63.4 | 179.8 | 120 | -8.7 | 111 | E93 F96 W124 F125 Q126 A130 R131 T132 | E93-R128 IonicContact OE1-CZ 2.94Å; E93-R128 VanDerWaalsContact OE1-CZ 3.26Å; E93-R128 IonicContact OE1-NE 2.74Å; E93-R128 PolarHBondContact OE1-NE 3.18Å; E93-R128 IonicContact OE1-NH2 3.4Å; E93-R128 PolarHBondContact OE1-NH2 3.44Å; E93-R128 IonicContact OE2-CZ 2.96Å; E93-R128 IonicContact OE2-NE 3.26Å; E93-R128 PolarHBondContact OE2-NE 3.27Å; E93-R128 IonicContact OE2-NH2 3.56Å; F96-R128 HydrophobicContact CD1-CG 3.79Å; F96-R128 HydrophobicContact CD2-CB 4.22Å; F96-R128 HydrophobicContact CD2-CG 3.78Å; F96-R128 HydrophobicContact CE1-CG 3.69Å; F96-R128 HydrophobicContact CE2-CB 4.03Å; F96-R128 HydrophobicContact CE2-CG 3.68Å; F96-R128 HydrophobicContact CG-CG 3.85Å; F96-R128 HydrophobicContact CZ-CB 4.36Å; F96-R128 HydrophobicContact CZ-CG 3.64Å; W124-R128 HydrophobicContact CE3-CB 4.29Å; W124-R128 HydrophobicContact CH2-CB 4.14Å; W124-R128 HydrophobicContact CH2-CG 3.95Å; W124-R128 HydrophobicContact CZ3-CB 3.97Å; W124-R128 HydrophobicContact CZ3-CG 4.13Å; W124-R128 WeakPolarHBondContact O-CB 3.36Å; W124-R128 PolarHBondContact O-N 3.08Å; F125-R128 PolarHBondContact O-N 3.31Å; Q126-R128 VanDerWaalsContact C-N 3.35Å; Q126-R128 PolarHBondContact O-N 3.33Å; R128-A130 PolarHBondContact O-N 3.39Å; R128-R131 PolarHBondContact O-N 2.93Å; R128-T132 PolarHBondContact NH1-OG1 3.12Å; R128-T132 PolarHBondContact O-N 3.22Å; R128-T132 PolarHBondContact O-OG1 2.97Å; R128-T132 VanDerWaalsContact O-OG1 3.08Å |
| 129 | R | 97.9 | Very high | 97.1 | Very high | 93 Ų | 93 | 76.1 Ų | 76.1 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 173.9 | -72.5 | -167.1 | -61.6 | -87.3 | -2.4 | 112.4 | F96 H100 F125 Q126 T132 K133 | F96-R129 HydrophobicContact CE2-CG 3.81Å; F96-R129 HydrophobicContact CZ-CG 4.1Å; H100-R129 PolarHBondContact O-NH1 2.99Å; F125-R129 WeakPolarHBondContact O-CG 3.4Å; F125-R129 PolarHBondContact O-N 2.97Å; Q126-R129 PolarHBondContact O-N 3.17Å; R129-T132 PolarHBondContact O-N 3.07Å; R129-K133 WeakPolarHBondContact O-CB 3.35Å; R129-K133 PolarHBondContact O-N 2.73Å |
| 130 | A | 97.9 | Very high | 97 | Very high | 59 Ų | 59 | 72.7 Ų | 72.7 | 49% | 0.488 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q126 N127 R128 K133 L134 | Q126-A130 WeakPolarHBondContact O-CB 3.37Å; Q126-A130 PolarHBondContact O-N 3.22Å; N127-A130 PolarHBondContact O-N 3.34Å; R128-A130 PolarHBondContact O-N 3.39Å; A130-K133 PolarHBondContact O-N 2.9Å; A130-L134 WeakPolarHBondContact O-CB 3.39Å; A130-L134 PolarHBondContact O-N 3.44Å |
| 131 | R | 97.4 | Very high | 97.1 | Very high | 178 Ų | 178 | 72.7 Ų | 72.7 | 67% | 0.672 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.3 | -43 | 176.2 | -71.1 | 179 | -172.4 | -164.8 | 1.4 | 112.4 | N127 R128 L134 K135 | N127-R131 WeakPolarHBondContact O-CG 3.47Å; N127-R131 PolarHBondContact O-N 2.89Å; R128-R131 PolarHBondContact O-N 2.93Å; R131-L134 PolarHBondContact O-N 2.94Å; R131-K135 PolarHBondContact O-N 2.74Å |
| 132 | T | 96.6 | Very high | 97.1 | Very high | 41 Ų | 41 | 78.5 Ų | 78.5 | 25% | 0.252 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 175.9 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | R128 R129 L134 K135 Q136 | R128-T132 PolarHBondContact NH1-OG1 3.12Å; R128-T132 PolarHBondContact O-N 3.22Å; R128-T132 PolarHBondContact O-OG1 2.97Å; R128-T132 VanDerWaalsContact O-OG1 3.08Å; R129-T132 PolarHBondContact O-N 3.07Å; T132-L134 VanDerWaalsContact C-N 3.34Å; T132-L134 PolarHBondContact O-N 2.74Å; T132-K135 PolarHBondContact O-N 2.89Å; T132-Q136 WeakPolarHBondContact O-CB 3.4Å; T132-Q136 PolarHBondContact O-N 3.04Å |
| 133 | K | 97.2 | Very high | 97.2 | Very high | 153 Ų | 153 | 80.9 Ų | 80.9 | 67% | 0.665 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.9 | -41.3 | 176.7 | -173.3 | 174.4 | -178.6 | 177.6 | 0 | 112 | R129 A130 Q136 T137 | R129-K133 WeakPolarHBondContact O-CB 3.35Å; R129-K133 PolarHBondContact O-N 2.73Å; A130-K133 PolarHBondContact O-N 2.9Å; K133-Q136 PolarHBondContact O-N 3.21Å; K133-T137 PolarHBondContact O-N 3.38Å; K133-T137 PolarHBondContact O-OG1 2.83Å; K133-T137 VanDerWaalsContact O-OG1 3.07Å |
| 134 | L | 97.1 | Very high | 97.2 | Very high | 101 Ų | 101 | 84.1 Ų | 84.1 | 53% | 0.529 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.9 | -52.9 | 176.1 | 178.4 | 62.1 | 0 | 0 | 0 | 111.3 | A130 R131 T132 Q136 T137 E138 | A130-L134 WeakPolarHBondContact O-CB 3.39Å; A130-L134 PolarHBondContact O-N 3.44Å; R131-L134 PolarHBondContact O-N 2.94Å; T132-L134 VanDerWaalsContact C-N 3.34Å; T132-L134 PolarHBondContact O-N 2.74Å; L134-Q136 VanDerWaalsContact C-N 3.25Å; L134-Q136 PolarHBondContact O-N 3.12Å; L134-T137 PolarHBondContact O-N 3.16Å; L134-T137 VanDerWaalsContact O-N 3.12Å; L134-E138 HydrophobicContact CD1-CG 4.43Å; L134-E138 WeakPolarHBondContact O-CG 3.41Å; L134-E138 PolarHBondContact O-N 3.49Å |
| 135 | K | 96.8 | Very high | 97.3 | Very high | 90 Ų | 90 | 88.7 Ų | 88.7 | 39% | 0.391 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58 | -40.2 | 178.6 | -172.7 | 167.9 | -175.3 | 165.4 | 0 | 111.5 | R131 T132 E138 L139 | R131-K135 PolarHBondContact O-N 2.74Å; T132-K135 PolarHBondContact O-N 2.89Å; K135-E138 PolarHBondContact O-N 2.88Å; K135-L139 WeakPolarHBondContact O-CG 3.43Å; K135-L139 PolarHBondContact O-N 3.3Å; K135-L139 VanDerWaalsContact O-N 3.12Å |
| 136 | Q | 94 | Very high | 97.3 | Very high | 38 Ų | 38 | 98.2 Ų | 98.2 | 18% | 0.178 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 175.3 | -178.3 | 60.3 | 32.4 | 0 | 0 | 112.1 | T132 K133 L134 E138 L139 E140 | T132-Q136 WeakPolarHBondContact O-CB 3.4Å; T132-Q136 PolarHBondContact O-N 3.04Å; K133-Q136 PolarHBondContact O-N 3.21Å; L134-Q136 VanDerWaalsContact C-N 3.25Å; L134-Q136 PolarHBondContact O-N 3.12Å; Q136-E138 VanDerWaalsContact C-N 3.29Å; Q136-E138 PolarHBondContact O-N 3.49Å; Q136-L139 PolarHBondContact O-N 3.47Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.28Å; Q136-E140 PolarHBondContact NE2-OE1 3.38Å; Q136-E140 WeakPolarHBondContact O-CG 3.35Å; Q136-E140 PolarHBondContact O-N 3.48Å |
| 137 | T | 96.7 | Very high | 97.3 | Very high | 72 Ų | 72 | 96.2 Ų | 96.2 | 44% | 0.442 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.3 | -34.7 | 178.6 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | K133 L134 C141 | K133-T137 PolarHBondContact O-N 3.38Å; K133-T137 PolarHBondContact O-OG1 2.83Å; K133-T137 VanDerWaalsContact O-OG1 3.07Å; L134-T137 PolarHBondContact O-N 3.16Å; L134-T137 VanDerWaalsContact O-N 3.12Å; T137-C141 VanDerWaalsContact O-CB 3.27Å; T137-C141 WeakPolarHBondContact O-CB 3.27Å; T137-C141 PolarHBondContact O-N 2.98Å |
| 138 | E | 97.6 | Very high | 97.3 | Very high | 107 Ų | 107 | 99 Ų | 99 | 50% | 0.5 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 173.3 | -72.2 | 170.2 | 164 | 0 | 0 | 111.2 | L134 K135 Q136 C141 E142 | L134-E138 HydrophobicContact CD1-CG 4.43Å; L134-E138 WeakPolarHBondContact O-CG 3.41Å; L134-E138 PolarHBondContact O-N 3.49Å; K135-E138 PolarHBondContact O-N 2.88Å; Q136-E138 VanDerWaalsContact C-N 3.29Å; Q136-E138 PolarHBondContact O-N 3.49Å; E138-C141 WeakPolarHBondContact O-CB 3.41Å; E138-C141 PolarHBondContact O-N 2.9Å; E138-E142 PolarHBondContact O-N 3.44Å |
| 139 | L | 97.1 | Very high | 97.3 | Very high | 81 Ų | 81 | 97.7 Ų | 97.7 | 42% | 0.424 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 177 | -68.2 | 172.3 | 0 | 0 | 0 | 112.6 | K135 Q136 C141 E142 Y143 | K135-L139 WeakPolarHBondContact O-CG 3.43Å; K135-L139 PolarHBondContact O-N 3.3Å; K135-L139 VanDerWaalsContact O-N 3.12Å; Q136-L139 PolarHBondContact O-N 3.47Å; L139-C141 VanDerWaalsContact C-N 3.3Å; L139-C141 PolarHBondContact O-N 3.3Å; L139-E142 PolarHBondContact O-N 3.26Å; L139-Y143 WeakPolarHBondContact O-CB 3.45Å; L139-Y143 PolarHBondContact O-N 3.49Å |
| 140 | E | 96.2 | Very high | 97.3 | Very high | 77 Ų | 77 | 97.3 Ų | 97.3 | 36% | 0.36 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 175.2 | -75.7 | 170.2 | -173.2 | 0 | 0 | 111.7 | L44 Q136 Y143 L144 | L44-E140 HydrophobicContact CD1-CG 4.2Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.28Å; Q136-E140 PolarHBondContact NE2-OE1 3.38Å; Q136-E140 WeakPolarHBondContact O-CG 3.35Å; Q136-E140 PolarHBondContact O-N 3.48Å; E140-Y143 PolarHBondContact O-N 2.98Å; E140-L144 WeakPolarHBondContact O-CB 3.42Å; E140-L144 VanDerWaalsContact O-CG 3.28Å; E140-L144 WeakPolarHBondContact O-CG 3.41Å; E140-L144 PolarHBondContact O-N 3.34Å |
| 141 | C | 98 | Very high | 97.4 | Very high | 55 Ų | 55 | 100.3 Ų | 100.3 | 37% | 0.372 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 176.7 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | T137 E138 L139 L144 K145 | T137-C141 VanDerWaalsContact O-CB 3.27Å; T137-C141 WeakPolarHBondContact O-CB 3.27Å; T137-C141 PolarHBondContact O-N 2.98Å; E138-C141 WeakPolarHBondContact O-CB 3.41Å; E138-C141 PolarHBondContact O-N 2.9Å; L139-C141 VanDerWaalsContact C-N 3.3Å; L139-C141 PolarHBondContact O-N 3.3Å; C141-L144 PolarHBondContact O-N 3.49Å; C141-K145 WeakPolarHBondContact O-CB 3.39Å; C141-K145 VanDerWaalsContact O-CG 3.24Å; C141-K145 WeakPolarHBondContact O-CG 3.24Å; C141-K145 PolarHBondContact O-N 3.02Å; C141-K145 VanDerWaalsContact SG-CE 3.51Å |
| 142 | E | 97.8 | Very high | 97.4 | Very high | 122 Ų | 122 | 93.6 Ų | 93.6 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.8 | -43.9 | 174.8 | -71.6 | -170.5 | 168.7 | 0 | 0 | 112.3 | E138 L139 K145 R146 | E138-E142 PolarHBondContact O-N 3.44Å; L139-E142 PolarHBondContact O-N 3.26Å; E142-K145 PolarHBondContact O-N 3.48Å; E142-R146 WeakPolarHBondContact O-CG 3.4Å; E142-R146 PolarHBondContact O-N 3.31Å; E142-R146 VanDerWaalsContact O-N 3.08Å |
| 143 | Y | 97.7 | Very high | 97.5 | Very high | 106 Ų | 106 | 96.2 Ų | 96.2 | 42% | 0.416 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.9 | -51.2 | 175.8 | 175 | -100.3 | 0 | 0 | 0 | 111.5 | L139 E140 K145 R146 C147 | L139-Y143 WeakPolarHBondContact O-CB 3.45Å; L139-Y143 PolarHBondContact O-N 3.49Å; E140-Y143 PolarHBondContact O-N 2.98Å; Y143-K145 VanDerWaalsContact C-N 3.33Å; Y143-K145 PolarHBondContact O-N 3.48Å; Y143-R146 WeakPolarHBondContact O-CB 3.39Å; Y143-R146 PolarHBondContact O-N 3.48Å; Y143-R146 VanDerWaalsContact O-N 3.12Å; Y143-C147 PolarHBondContact O-N 3Å; Y143-C147 PolarHBondContact O-SG 3Å |
| 144 | L | 98 | Very high | 97.6 | Very high | 114 Ų | 114 | 92.1 Ų | 92.1 | 60% | 0.597 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.4 | -40.5 | 178.9 | -74.1 | 170.8 | 0 | 0 | 0 | 112.2 | E140 C141 R146 C147 F148 | E140-L144 WeakPolarHBondContact O-CB 3.42Å; E140-L144 VanDerWaalsContact O-CG 3.28Å; E140-L144 WeakPolarHBondContact O-CG 3.41Å; E140-L144 PolarHBondContact O-N 3.34Å; C141-L144 PolarHBondContact O-N 3.49Å; L144-R146 VanDerWaalsContact C-N 3.33Å; L144-R146 PolarHBondContact O-N 2.87Å; L144-C147 PolarHBondContact O-N 3.31Å; L144-F148 WeakPolarHBondContact O-CB 3.24Å; L144-F148 PolarHBondContact O-N 3.38Å |
| 145 | K | 97.9 | Very high | 97.6 | Very high | 140 Ų | 140 | 91.5 Ų | 91.5 | 61% | 0.609 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -59.1 | -42.9 | 174.6 | -77.1 | 169 | -179.3 | 169.6 | 0 | 112 | C141 E142 Y143 F148 G149 | C141-K145 WeakPolarHBondContact O-CB 3.39Å; C141-K145 VanDerWaalsContact O-CG 3.24Å; C141-K145 WeakPolarHBondContact O-CG 3.24Å; C141-K145 PolarHBondContact O-N 3.02Å; C141-K145 VanDerWaalsContact SG-CE 3.51Å; E142-K145 PolarHBondContact O-N 3.48Å; Y143-K145 VanDerWaalsContact C-N 3.33Å; Y143-K145 PolarHBondContact O-N 3.48Å; K145-F148 PolarHBondContact O-N 3.37Å; K145-G149 PolarHBondContact O-N 2.85Å |
| 146 | R | 98.2 | Very high | 97.7 | Very high | 205 Ų | 205 | 94 Ų | 94 | 77% | 0.774 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.2 | -46 | 177.2 | -69.9 | 177.7 | 66.4 | 170.8 | 2 | 111.7 | E142 Y143 L144 F148 G149 S150 | E142-R146 WeakPolarHBondContact O-CG 3.4Å; E142-R146 PolarHBondContact O-N 3.31Å; E142-R146 VanDerWaalsContact O-N 3.08Å; Y143-R146 WeakPolarHBondContact O-CB 3.39Å; Y143-R146 PolarHBondContact O-N 3.48Å; Y143-R146 VanDerWaalsContact O-N 3.12Å; L144-R146 VanDerWaalsContact C-N 3.33Å; L144-R146 PolarHBondContact O-N 2.87Å; R146-F148 VanDerWaalsContact C-N 3.34Å; R146-F148 PolarHBondContact O-N 2.73Å; R146-G149 PolarHBondContact O-N 3.34Å; R146-S150 PolarHBondContact O-N 2.97Å |
| 147 | C | 98 | Very high | 97.9 | Very high | 38 Ų | 38 | 97.5 Ų | 97.5 | 26% | 0.257 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 176.3 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | Y143 L144 G149 S150 L151 | Y143-C147 PolarHBondContact O-N 3Å; Y143-C147 PolarHBondContact O-SG 3Å; L144-C147 PolarHBondContact O-N 3.31Å; C147-G149 PolarHBondContact O-N 3.44Å; C147-S150 PolarHBondContact O-N 3.12Å; C147-L151 WeakPolarHBondContact O-CB 3.34Å; C147-L151 WeakPolarHBondContact O-CG 3.5Å; C147-L151 PolarHBondContact O-N 3.08Å |
| 148 | F | 97.8 | Very high | 98 | Very high | 143 Ų | 143 | 97.8 Ų | 97.8 | 63% | 0.627 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.3 | -45.3 | 176.8 | -178.8 | -96.7 | 0 | 0 | 0 | 111.9 | L144 K145 R146 S150 L151 T152 | L144-F148 WeakPolarHBondContact O-CB 3.24Å; L144-F148 PolarHBondContact O-N 3.38Å; K145-F148 PolarHBondContact O-N 3.37Å; R146-F148 VanDerWaalsContact C-N 3.34Å; R146-F148 PolarHBondContact O-N 2.73Å; F148-S150 PolarHBondContact O-N 3.04Å; F148-L151 PolarHBondContact O-N 3.45Å; F148-T152 VanDerWaalsContact O-CB 3.28Å; F148-T152 WeakPolarHBondContact O-CB 3.47Å; F148-T152 PolarHBondContact O-N 2.87Å; F148-T152 PolarHBondContact O-OG1 3.32Å |
| 149 | G | 98.3 | Very high | 98 | Very high | 39 Ų | 39 | 97.6 Ų | 97.6 | 40% | 0.402 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K145 R146 C147 T152 E153 | K145-G149 PolarHBondContact O-N 2.85Å; R146-G149 PolarHBondContact O-N 3.34Å; C147-G149 PolarHBondContact O-N 3.44Å; G149-T152 PolarHBondContact O-N 2.6Å; G149-E153 PolarHBondContact O-N 3.46Å |
| 150 | S | 98.2 | Very high | 98 | Very high | 85 Ų | 85 | 100.2 Ų | 100.2 | 59% | 0.594 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.7 | -46.2 | 177.9 | -170.8 | 0 | 0 | 0 | 0 | 112.5 | R146 C147 F148 T152 E153 E154 | R146-S150 PolarHBondContact O-N 2.97Å; C147-S150 PolarHBondContact O-N 3.12Å; F148-S150 PolarHBondContact O-N 3.04Å; S150-T152 VanDerWaalsContact C-N 3.3Å; S150-T152 PolarHBondContact O-N 3.43Å; S150-E153 PolarHBondContact O-N 3.38Å; S150-E154 WeakPolarHBondContact O-CB 3.38Å; S150-E154 PolarHBondContact O-N 3.21Å |
| 151 | L | 98.3 | Very high | 98.1 | Very high | 121 Ų | 121 | 100.5 Ų | 100.5 | 63% | 0.634 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.7 | -36.7 | 177.9 | -77.6 | 168.5 | 0 | 0 | 0 | 111.7 | C147 F148 N155 | C147-L151 WeakPolarHBondContact O-CB 3.34Å; C147-L151 WeakPolarHBondContact O-CG 3.5Å; C147-L151 PolarHBondContact O-N 3.08Å; F148-L151 PolarHBondContact O-N 3.45Å; L151-N155 VanDerWaalsContact O-CB 3.23Å; L151-N155 WeakPolarHBondContact O-CB 3.28Å; L151-N155 PolarHBondContact O-N 2.79Å |
| 152 | T | 98.4 | Very high | 98 | Very high | 38 Ų | 38 | 100.8 Ų | 100.8 | 23% | 0.233 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 176.3 | -61.1 | 0 | 0 | 0 | 0 | 111.1 | F148 G149 S150 N155 R156 | F148-T152 VanDerWaalsContact O-CB 3.28Å; F148-T152 WeakPolarHBondContact O-CB 3.47Å; F148-T152 PolarHBondContact O-N 2.87Å; F148-T152 PolarHBondContact O-OG1 3.32Å; G149-T152 PolarHBondContact O-N 2.6Å; S150-T152 VanDerWaalsContact C-N 3.3Å; S150-T152 PolarHBondContact O-N 3.43Å; T152-N155 PolarHBondContact O-N 2.88Å; T152-R156 WeakPolarHBondContact O-CG 3.35Å; T152-R156 PolarHBondContact O-N 3.45Å |
| 153 | E | 98.4 | Very high | 97.9 | Very high | 95 Ų | 95 | 100.9 Ų | 100.9 | 44% | 0.444 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.6 | -43 | 178 | -174.4 | 53.9 | -146.5 | 0 | 0 | 111.8 | G149 S150 N155 R156 R157 R160 | G149-E153 PolarHBondContact O-N 3.46Å; S150-E153 PolarHBondContact O-N 3.38Å; E153-N155 VanDerWaalsContact C-N 3.34Å; E153-N155 PolarHBondContact O-N 3.01Å; E153-R156 WeakPolarHBondContact O-CB 3.47Å; E153-R156 PolarHBondContact O-N 2.86Å; E153-R157 PolarHBondContact O-N 3.39Å; E153-R160 IonicContact OE1-NH2 3.45Å; E153-R160 PolarHBondContact OE1-NH2 2.89Å |
| 154 | E | 98.3 | Very high | 97.8 | Very high | 67 Ų | 67 | 101.7 Ų | 101.7 | 31% | 0.313 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 175.8 | -175.9 | 57.4 | -151.9 | 0 | 0 | 111.7 | S150 R156 R157 L158 | S150-E154 WeakPolarHBondContact O-CB 3.38Å; S150-E154 PolarHBondContact O-N 3.21Å; E154-R156 VanDerWaalsContact C-N 3.35Å; E154-R156 PolarHBondContact O-N 3.46Å; E154-R157 WeakPolarHBondContact O-CB 3.23Å; E154-R157 PolarHBondContact O-N 2.97Å; E154-R157 IonicContact OE1-CZ 3.24Å; E154-R157 VanDerWaalsContact OE1-CZ 3.24Å; E154-R157 IonicContact OE1-NE 3.46Å; E154-R157 PolarHBondContact OE1-NE 3.36Å; E154-R157 IonicContact OE1-NH2 2.6Å; E154-R157 PolarHBondContact OE1-NH2 3.47Å; E154-R157 IonicContact OE2-CZ 3.02Å; E154-R157 IonicContact OE2-NE 3.38Å; E154-R157 PolarHBondContact OE2-NE 3.48Å; E154-R157 IonicContact OE2-NH1 3.43Å; E154-R157 PolarHBondContact OE2-NH1 3.06Å; E154-R157 IonicContact OE2-NH2 3.04Å; E154-R157 PolarHBondContact OE2-NH2 3.38Å; E154-L158 HydrophobicContact CG-CD1 4.18Å; E154-L158 WeakPolarHBondContact O-CB 3.5Å; E154-L158 WeakPolarHBondContact O-CG 3.39Å; E154-L158 PolarHBondContact O-N 3.43Å |
| 155 | N | 98.4 | Very high | 97.6 | Very high | 88 Ų | 88 | 100.2 Ų | 100.2 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 176.2 | -163.1 | -81.3 | 0 | 0 | 0 | 111.4 | L151 T152 E153 R157 L158 Q159 | L151-N155 VanDerWaalsContact O-CB 3.23Å; L151-N155 WeakPolarHBondContact O-CB 3.28Å; L151-N155 PolarHBondContact O-N 2.79Å; T152-N155 PolarHBondContact O-N 2.88Å; E153-N155 VanDerWaalsContact C-N 3.34Å; E153-N155 PolarHBondContact O-N 3.01Å; N155-R157 VanDerWaalsContact C-N 3.34Å; N155-R157 PolarHBondContact O-N 3.14Å; N155-L158 PolarHBondContact O-N 2.87Å; N155-Q159 WeakPolarHBondContact O-CB 3.24Å; N155-Q159 VanDerWaalsContact O-CG 3.24Å; N155-Q159 WeakPolarHBondContact O-CG 3.49Å; N155-Q159 PolarHBondContact O-N 3.37Å; N155-Q159 PolarHBondContact OD1-NE2 3Å |
| 156 | R | 98.4 | Very high | 97.4 | Very high | 142 Ų | 142 | 101.8 Ų | 101.8 | 54% | 0.536 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 174.3 | -73.8 | 174.3 | 179.6 | 166 | 0.1 | 112.7 | T152 E153 E154 R160 | T152-R156 WeakPolarHBondContact O-CG 3.35Å; T152-R156 PolarHBondContact O-N 3.45Å; E153-R156 WeakPolarHBondContact O-CB 3.47Å; E153-R156 PolarHBondContact O-N 2.86Å; E154-R156 VanDerWaalsContact C-N 3.35Å; E154-R156 PolarHBondContact O-N 3.46Å; R156-R160 WeakPolarHBondContact O-CG 3.42Å; R156-R160 PolarHBondContact O-N 3.23Å; R156-R160 PolarHBondContact O-NE 2.87Å |
| 157 | R | 98.5 | Very high | 97 | Very high | 113 Ų | 113 | 95.5 Ų | 95.5 | 43% | 0.426 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64 | -51.2 | 174.7 | -174.2 | -175 | 75.7 | -177.7 | 5.2 | 110.6 | E153 E154 N155 Q159 R160 E161 | E153-R157 PolarHBondContact O-N 3.39Å; E154-R157 WeakPolarHBondContact O-CB 3.23Å; E154-R157 PolarHBondContact O-N 2.97Å; E154-R157 IonicContact OE1-CZ 3.24Å; E154-R157 VanDerWaalsContact OE1-CZ 3.24Å; E154-R157 IonicContact OE1-NE 3.46Å; E154-R157 PolarHBondContact OE1-NE 3.36Å; E154-R157 IonicContact OE1-NH2 2.6Å; E154-R157 PolarHBondContact OE1-NH2 3.47Å; E154-R157 IonicContact OE2-CZ 3.02Å; E154-R157 IonicContact OE2-NE 3.38Å; E154-R157 PolarHBondContact OE2-NE 3.48Å; E154-R157 IonicContact OE2-NH1 3.43Å; E154-R157 PolarHBondContact OE2-NH1 3.06Å; E154-R157 IonicContact OE2-NH2 3.04Å; E154-R157 PolarHBondContact OE2-NH2 3.38Å; N155-R157 VanDerWaalsContact C-N 3.34Å; N155-R157 PolarHBondContact O-N 3.14Å; R157-Q159 VanDerWaalsContact C-N 3.31Å; R157-Q159 PolarHBondContact O-N 3.38Å; R157-R160 WeakPolarHBondContact O-CB 3.33Å; R157-R160 PolarHBondContact O-N 3.48Å; R157-R160 VanDerWaalsContact O-N 3.14Å; R157-E161 WeakPolarHBondContact CG-OE1 3.16Å; R157-E161 IonicContact NE-OE1 3.59Å; R157-E161 PolarHBondContact O-N 3.27Å |
| 158 | L | 98.3 | Very high | 96.4 | Very high | 78 Ų | 78 | 99.5 Ų | 99.5 | 41% | 0.408 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 179.2 | -70.3 | 171.1 | 0 | 0 | 0 | 112.3 | E154 N155 E161 V162 | E154-L158 HydrophobicContact CG-CD1 4.18Å; E154-L158 WeakPolarHBondContact O-CB 3.5Å; E154-L158 WeakPolarHBondContact O-CG 3.39Å; E154-L158 PolarHBondContact O-N 3.43Å; N155-L158 PolarHBondContact O-N 2.87Å; L158-E161 PolarHBondContact O-N 2.91Å; L158-V162 WeakPolarHBondContact O-CB 3.32Å; L158-V162 VanDerWaalsContact O-CG2 3.25Å; L158-V162 WeakPolarHBondContact O-CG2 3.25Å; L158-V162 PolarHBondContact O-N 3.45Å |
| 159 | Q | 97.9 | Very high | 95.3 | Very high | 102 Ų | 102 | 102.1 Ų | 102.1 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 173.7 | -76.9 | 176.4 | 3.6 | 0 | 0 | 111.7 | N155 R157 V162 E163 | N155-Q159 WeakPolarHBondContact O-CB 3.24Å; N155-Q159 VanDerWaalsContact O-CG 3.24Å; N155-Q159 WeakPolarHBondContact O-CG 3.49Å; N155-Q159 PolarHBondContact O-N 3.37Å; N155-Q159 PolarHBondContact OD1-NE2 3Å; R157-Q159 VanDerWaalsContact C-N 3.31Å; R157-Q159 PolarHBondContact O-N 3.38Å; Q159-V162 PolarHBondContact O-N 3.29Å; Q159-E163 WeakPolarHBondContact O-CG 3.44Å; Q159-E163 PolarHBondContact O-N 3.32Å |
| 160 | R | 97.8 | Very high | 93.6 | Very high | 137 Ų | 137 | 106 Ų | 106 | 52% | 0.517 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 175.1 | -74.3 | 179.8 | -77.5 | 148.9 | -11.7 | 112 | E153 R156 R157 V162 E163 E164 | E153-R160 IonicContact OE1-NH2 3.45Å; E153-R160 PolarHBondContact OE1-NH2 2.89Å; R156-R160 WeakPolarHBondContact O-CG 3.42Å; R156-R160 PolarHBondContact O-N 3.23Å; R156-R160 PolarHBondContact O-NE 2.87Å; R157-R160 WeakPolarHBondContact O-CB 3.33Å; R157-R160 PolarHBondContact O-N 3.48Å; R157-R160 VanDerWaalsContact O-N 3.14Å; R160-V162 VanDerWaalsContact C-N 3.33Å; R160-V162 PolarHBondContact O-N 3.45Å; R160-E163 PolarHBondContact O-N 2.91Å; R160-E164 WeakPolarHBondContact O-CB 3.27Å; R160-E164 PolarHBondContact O-N 3.29Å |
| 161 | E | 97 | Very high | 91.7 | Very high | 83 Ų | 83 | 105.4 Ų | 105.4 | 39% | 0.388 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 177 | -70.9 | 176 | -154.8 | 0 | 0 | 111.8 | R157 L158 E164 L165 | R157-E161 WeakPolarHBondContact CG-OE1 3.16Å; R157-E161 IonicContact NE-OE1 3.59Å; R157-E161 PolarHBondContact O-N 3.27Å; L158-E161 PolarHBondContact O-N 2.91Å; E161-E164 PolarHBondContact O-N 2.88Å; E161-L165 WeakPolarHBondContact O-CB 3.37Å; E161-L165 WeakPolarHBondContact O-CG 3.47Å; E161-L165 PolarHBondContact O-N 3.14Å |
| 162 | V | 96.8 | Very high | 89.8 | Confident | 60 Ų | 60 | 104 Ų | 104 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 176 | 166.6 | 0 | 0 | 0 | 0 | 111.4 | L158 Q159 R160 R166 | L158-V162 WeakPolarHBondContact O-CB 3.32Å; L158-V162 VanDerWaalsContact O-CG2 3.25Å; L158-V162 WeakPolarHBondContact O-CG2 3.25Å; L158-V162 PolarHBondContact O-N 3.45Å; Q159-V162 PolarHBondContact O-N 3.29Å; R160-V162 VanDerWaalsContact C-N 3.33Å; R160-V162 PolarHBondContact O-N 3.45Å; V162-R166 HydrophobicContact CG1-CG 4.39Å; V162-R166 VanDerWaalsContact O-CB 3.27Å; V162-R166 WeakPolarHBondContact O-CB 3.49Å; V162-R166 WeakPolarHBondContact O-CG 3.2Å; V162-R166 PolarHBondContact O-N 3.21Å |
| 163 | E | 95.8 | Very high | 87.8 | Confident | 124 Ų | 124 | 106 Ų | 106 | 58% | 0.579 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -44.1 | 176 | -74.7 | 172.1 | -171.1 | 0 | 0 | 111.8 | Q159 R160 R166 A167 | Q159-E163 WeakPolarHBondContact O-CG 3.44Å; Q159-E163 PolarHBondContact O-N 3.32Å; R160-E163 PolarHBondContact O-N 2.91Å; E163-R166 PolarHBondContact O-N 3.07Å; E163-A167 WeakPolarHBondContact O-CB 3.2Å; E163-A167 PolarHBondContact O-N 3.42Å |
| 164 | E | 95.3 | Very high | 86.1 | Confident | 124 Ų | 124 | 105.5 Ų | 105.5 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.2 | -47.3 | 176.6 | -168.6 | -175 | 171 | 0 | 0 | 111.6 | R160 E161 R166 A167 M168 | R160-E164 WeakPolarHBondContact O-CB 3.27Å; R160-E164 PolarHBondContact O-N 3.29Å; E161-E164 PolarHBondContact O-N 2.88Å; E164-R166 VanDerWaalsContact C-N 3.33Å; E164-R166 PolarHBondContact O-N 2.89Å; E164-A167 PolarHBondContact O-N 3.37Å; E164-M168 HydrophobicContact CG-CE 4.19Å; E164-M168 PolarHBondContact O-N 3.39Å |
| 165 | L | 94.1 | Very high | 84.5 | Confident | 82 Ų | 82 | 104.4 Ų | 104.4 | 43% | 0.429 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 175.3 | -72.4 | 172.2 | 0 | 0 | 0 | 111.9 | E161 M168 R169 | E161-L165 WeakPolarHBondContact O-CB 3.37Å; E161-L165 WeakPolarHBondContact O-CG 3.47Å; E161-L165 PolarHBondContact O-N 3.14Å; L165-M168 HydrophobicContact CD2-CE 3.85Å; L165-M168 PolarHBondContact O-N 3.08Å; L165-R169 WeakPolarHBondContact O-CB 3.39Å; L165-R169 WeakPolarHBondContact O-CG 3.12Å; L165-R169 PolarHBondContact O-N 3.47Å; L165-R169 VanDerWaalsContact O-N 3.1Å |
| 166 | R | 92.4 | Very high | 83.2 | Confident | 174 Ų | 174 | 104.8 Ų | 104.8 | 66% | 0.657 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.9 | -43.9 | 175.1 | -79 | 172.2 | 179.9 | 175.8 | 2.4 | 110.8 | V162 E163 E164 M168 R169 V170 | V162-R166 HydrophobicContact CG1-CG 4.39Å; V162-R166 VanDerWaalsContact O-CB 3.27Å; V162-R166 WeakPolarHBondContact O-CB 3.49Å; V162-R166 WeakPolarHBondContact O-CG 3.2Å; V162-R166 PolarHBondContact O-N 3.21Å; E163-R166 PolarHBondContact O-N 3.07Å; E164-R166 VanDerWaalsContact C-N 3.33Å; E164-R166 PolarHBondContact O-N 2.89Å; R166-M168 VanDerWaalsContact C-N 3.32Å; R166-M168 PolarHBondContact O-N 3.1Å; R166-R169 PolarHBondContact O-N 3.44Å; R166-R169 VanDerWaalsContact O-N 3.08Å; R166-V170 WeakPolarHBondContact O-CG2 3.49Å; R166-V170 PolarHBondContact O-N 2.98Å |
| 167 | A | 91.3 | Very high | 81.9 | Confident | 73 Ų | 73 | 98.8 Ų | 98.8 | 60% | 0.603 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.8 | -39.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E163 E164 R169 | E163-A167 WeakPolarHBondContact O-CB 3.2Å; E163-A167 PolarHBondContact O-N 3.42Å; E164-A167 PolarHBondContact O-N 3.37Å; A167-R169 VanDerWaalsContact C-N 3.32Å; A167-R169 PolarHBondContact O-N 3.46Å |
| 168 | M | 84.9 | Confident | 80.6 | Confident | 122 Ų | 122 | 98.4 Ų | 98.4 | 60% | 0.601 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.4 | -26.2 | 174.1 | -73 | -171 | -74 | 0 | 0 | 113.7 | E164 L165 R166 | E164-M168 HydrophobicContact CG-CE 4.19Å; E164-M168 PolarHBondContact O-N 3.39Å; L165-M168 HydrophobicContact CD2-CE 3.85Å; L165-M168 PolarHBondContact O-N 3.08Å; R166-M168 VanDerWaalsContact C-N 3.32Å; R166-M168 PolarHBondContact O-N 3.1Å |
| 169 | R | 74.1 | Confident | 79.5 | Confident | 198 Ų | 198 | 102.3 Ų | 102.3 | 75% | 0.747 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -0.2 | -176.2 | -73.6 | 178.5 | -175.7 | -147.6 | 3.5 | 114.8 | L165 R166 A167 A171 | L165-R169 WeakPolarHBondContact O-CB 3.39Å; L165-R169 WeakPolarHBondContact O-CG 3.12Å; L165-R169 PolarHBondContact O-N 3.47Å; L165-R169 VanDerWaalsContact O-N 3.1Å; R166-R169 PolarHBondContact O-N 3.44Å; R166-R169 VanDerWaalsContact O-N 3.08Å; A167-R169 VanDerWaalsContact C-N 3.32Å; A167-R169 PolarHBondContact O-N 3.46Å; R169-A171 VanDerWaalsContact C-N 3.31Å; R169-A171 PolarHBondContact O-N 3.26Å |
| 170 | V | 62.8 | Low | 78.7 | Confident | 120 Ų | 120 | 101.2 Ų | 101.2 | 73% | 0.727 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -72.9 | -19.2 | -174.7 | -173.2 | 0 | 0 | 0 | 0 | 113.6 | R166 | R166-V170 WeakPolarHBondContact O-CG2 3.49Å; R166-V170 PolarHBondContact O-N 2.98Å |
| 171 | A | 57.5 | Low | 77.7 | Confident | 73 Ų | 73 | 104.9 Ų | 104.9 | 60% | 0.603 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -124.6 | 117.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R169 | R169-A171 VanDerWaalsContact C-N 3.31Å; R169-A171 PolarHBondContact O-N 3.26Å |
| 172 | P | 59.1 | Low | 76.8 | Confident | 92 Ų | 92 | 106.8 Ų | 106.8 | 60% | 0.597 | 56% | 0.557 | S | S | * | * | trans | -51.7 | 134 | 157.4 | -17.6 | 29.3 | 0 | 0 | 0 | 107.1 | T174 | P172-T174 VanDerWaalsContact C-N 3.32Å; P172-T174 PolarHBondContact O-N 2.85Å; P172-T174 PolarHBondContact O-OG1 3.44Å | ||
| 173 | P | 57.7 | Low | 75.7 | Confident | 78 Ų | 78 | 108.2 Ų | 108.2 | 51% | 0.506 | 57% | 0.567 | S | S | . | * | trans | -55.5 | 104 | 174.3 | 21.7 | -30.4 | 0 | 0 | 0 | 107.1 | V175 L189 I198 | P173-V175 PolarHBondContact O-N 3.29Å; P173-L189 HydrophobicContact CG-CD1 4.39Å; P173-I198 HydrophobicContact CG-CD1 4.47Å | ||
| 174 | T | 62.2 | Low | 74.5 | Confident | 85 Ų | 85 | 104.2 Ų | 104.2 | 52% | 0.521 | 55% | 0.55 | S | S | . | . | trans | -78.2 | 83.8 | 177.9 | -63.7 | 0 | 0 | 0 | 0 | 105.2 | P172 L176 P183 | P172-T174 VanDerWaalsContact C-N 3.32Å; P172-T174 PolarHBondContact O-N 2.85Å; P172-T174 PolarHBondContact O-OG1 3.44Å; T174-L176 HydrophobicContact CG2-CD2 3.92Å; T174-L176 PolarHBondContact O-N 3.36Å; T174-P183 HydrophobicContact CG2-CB 3.72Å; T174-P183 HydrophobicContact CG2-CG 3.88Å | ||
| 175 | V | 64 | Low | 73.5 | Confident | 45 Ų | 45 | 102 Ų | 102 | 27% | 0.273 | 55% | 0.546 | S | S | . | . | trans | -73.6 | 109.3 | 168 | -176.2 | 0 | 0 | 0 | 0 | 105.4 | P173 S177 L184 L189 | P173-V175 PolarHBondContact O-N 3.29Å; V175-S177 PolarHBondContact O-N 2.91Å; V175-L184 HydrophobicContact CG1-CD1 4.36Å; V175-L184 WeakPolarHBondContact O-CB 3.39Å; V175-L184 PolarHBondContact O-N 3.04Å; V175-L189 HydrophobicContact CB-CD1 4.43Å; V175-L189 HydrophobicContact CB-CD2 3.78Å; V175-L189 HydrophobicContact CG1-CD2 4.25Å; V175-L189 HydrophobicContact CG2-CD1 3.91Å; V175-L189 HydrophobicContact CG2-CD2 3.85Å | ||
| 176 | L | 72.3 | Confident | 72.6 | Confident | 95 Ų | 95 | 101.8 Ų | 101.8 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | B | Isolated β-bridge | trans | -68.2 | 131.2 | 171.9 | -61.4 | 175.7 | 0 | 0 | 0 | 108 | T174 Q182 P183 | T174-L176 HydrophobicContact CG2-CD2 3.92Å; T174-L176 PolarHBondContact O-N 3.36Å; L176-Q182 WeakPolarHBondContact CA-O 3.37Å; L176-P183 HydrophobicContact CD2-CG 4.45Å |
| 177 | S | 69.5 | Low | 72.1 | Confident | 16 Ų | 16 | 99 Ų | 99 | 11% | 0.112 | 56% | 0.564 | C | S | . | * | trans | -57 | 129.1 | 170.1 | 174.8 | 0 | 0 | 0 | 0 | 109.6 | V175 H179 T180 R181 Q182 | V175-S177 PolarHBondContact O-N 2.91Å; S177-H179 PolarHBondContact O-N 3.47Å; S177-H179 PolarHBondContact OG-N 2.83Å; S177-T180 VanDerWaalsContact CB-OG1 3.25Å; S177-T180 WeakPolarHBondContact CB-OG1 3.42Å; S177-T180 PolarHBondContact OG-OG1 2.9Å; S177-R181 WeakPolarHBondContact O-CA 3.43Å; S177-R181 PolarHBondContact O-N 3.39Å; S177-Q182 PolarHBondContact N-O 2.91Å | ||
| 178 | P | 72.1 | Confident | 71.4 | Confident | 106 Ų | 106 | 96.8 Ų | 96.8 | 69% | 0.688 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -24.8 | 177.5 | -24.4 | 32.9 | 0 | 0 | 0 | 113.5 | ||
| 179 | H | 75.6 | Confident | 71 | Confident | 159 Ų | 159 | 92.5 Ų | 92.5 | 74% | 0.736 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -42.7 | -173.9 | -57.7 | -59.1 | 0 | 0 | 0 | 113.1 | S177 | S177-H179 PolarHBondContact O-N 3.47Å; S177-H179 PolarHBondContact OG-N 2.83Å |
| 180 | T | 80.1 | Confident | 71.4 | Confident | 80 Ų | 80 | 86.8 Ų | 86.8 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -9.7 | -174.2 | 58 | 0 | 0 | 0 | 0 | 113.4 | S177 Q182 | S177-T180 VanDerWaalsContact CB-OG1 3.25Å; S177-T180 WeakPolarHBondContact CB-OG1 3.42Å; S177-T180 PolarHBondContact OG-OG1 2.9Å; T180-Q182 PolarHBondContact O-N 2.86Å |
| 181 | R | 77.2 | Confident | 72.3 | Confident | 213 Ų | 213 | 86.4 Ų | 86.4 | 80% | 0.804 | 50% | 0.503 | S | S | * | . | trans | 50.3 | 24.5 | -169.2 | -64.3 | -169.4 | 173.1 | -164.6 | -0.8 | 113.5 | S177 | S177-R181 WeakPolarHBondContact O-CA 3.43Å; S177-R181 PolarHBondContact O-N 3.39Å | ||
| 182 | Q | 77.7 | Confident | 73.6 | Confident | 124 Ų | 124 | 84.9 Ų | 84.9 | 58% | 0.579 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -99.6 | 149.9 | 176.7 | -72 | 175.6 | -16 | 0 | 0 | 110.7 | L176 S177 T180 L184 | L176-Q182 WeakPolarHBondContact CA-O 3.37Å; S177-Q182 PolarHBondContact N-O 2.91Å; T180-Q182 PolarHBondContact O-N 2.86Å; Q182-L184 PolarHBondContact O-N 3.09Å |
| 183 | P | 73.3 | Confident | 74.7 | Confident | 90 Ų | 90 | 86.8 Ų | 86.8 | 58% | 0.584 | 50% | 0.5 | S | S | * | . | B | Isolated β-bridge | trans | -53.5 | 127.1 | 170.9 | -28.1 | 36.9 | 0 | 0 | 0 | 112.1 | T174 L176 | T174-P183 HydrophobicContact CG2-CB 3.72Å; T174-P183 HydrophobicContact CG2-CG 3.88Å; L176-P183 HydrophobicContact CD2-CG 4.45Å |
| 184 | L | 70.5 | Confident | 76.1 | Confident | 40 Ų | 40 | 94.3 Ų | 94.3 | 21% | 0.209 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 138 | 170 | -69.5 | 169.5 | 0 | 0 | 0 | 110.3 | V175 Q182 L189 A200 | V175-L184 HydrophobicContact CG1-CD1 4.36Å; V175-L184 WeakPolarHBondContact O-CB 3.39Å; V175-L184 PolarHBondContact O-N 3.04Å; Q182-L184 PolarHBondContact O-N 3.09Å; L184-L189 HydrophobicContact CB-CD2 4.31Å; L184-L189 HydrophobicContact CD1-CD2 4.31Å; L184-A200 HydrophobicContact CD1-CB 3.37Å |
| 185 | P | 76.2 | Confident | 77.6 | Confident | 78 Ų | 78 | 93.3 Ų | 93.3 | 51% | 0.506 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 150.4 | 171.6 | 29.6 | -34.4 | 0 | 0 | 0 | 110 | S187 A188 | P185-S187 PolarHBondContact O-N 3.01Å; P185-A188 HydrophobicContact CG-CB 4.12Å; P185-A188 WeakPolarHBondContact O-CB 3.41Å; P185-A188 PolarHBondContact O-N 2.85Å |
| 186 | A | 74.4 | Confident | 78.5 | Confident | 77 Ų | 77 | 98.8 Ų | 98.8 | 64% | 0.636 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -55.6 | -29.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A188 L189 | A186-A188 PolarHBondContact O-N 2.89Å; A186-L189 WeakPolarHBondContact O-CB 2.92Å; A186-L189 PolarHBondContact O-N 3.48Å; A186-L189 VanDerWaalsContact O-N 3.14Å |
| 187 | S | 81.2 | Confident | 79 | Confident | 116 Ų | 116 | 102.8 Ų | 102.8 | 81% | 0.811 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -64.7 | -20.6 | 175.5 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | P185 | P185-S187 PolarHBondContact O-N 3.01Š|
| 188 | A | 77.6 | Confident | 79.3 | Confident | 25 Ų | 25 | 105.7 Ų | 105.7 | 21% | 0.207 | 56% | 0.559 | C | S | . | * | G | 310 helix | trans | -90.7 | -2.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | P185 A186 A201 | P185-A188 HydrophobicContact CG-CB 4.12Å; P185-A188 WeakPolarHBondContact O-CB 3.41Å; P185-A188 PolarHBondContact O-N 2.85Å; A186-A188 PolarHBondContact O-N 2.89Å; A188-A201 PolarHBondContact O-N 3.38Å |
| 189 | L | 75.6 | Confident | 79.2 | Confident | 32 Ų | 32 | 104 Ų | 104 | 17% | 0.168 | 55% | 0.546 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126 | -179.7 | -58.3 | -177.1 | 0 | 0 | 0 | 109.8 | P173 V175 L184 A186 I198 | P173-L189 HydrophobicContact CG-CD1 4.39Å; V175-L189 HydrophobicContact CB-CD1 4.43Å; V175-L189 HydrophobicContact CB-CD2 3.78Å; V175-L189 HydrophobicContact CG1-CD2 4.25Å; V175-L189 HydrophobicContact CG2-CD1 3.91Å; V175-L189 HydrophobicContact CG2-CD2 3.85Å; L184-L189 HydrophobicContact CB-CD2 4.31Å; L184-L189 HydrophobicContact CD1-CD2 4.31Å; A186-L189 WeakPolarHBondContact O-CB 2.92Å; A186-L189 PolarHBondContact O-N 3.48Å; A186-L189 VanDerWaalsContact O-N 3.14Å; L189-I198 HydrophobicContact CB-CG2 3.67Å; L189-I198 HydrophobicContact CD1-CG2 4.01Å; L189-I198 HydrophobicContact CD2-CG2 4.18Å; L189-I198 HydrophobicContact CG-CG2 4.16Å |
| 190 | T | 82.3 | Confident | 78.9 | Confident | 79 Ų | 79 | 97.8 Ų | 97.8 | 49% | 0.485 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.9 | 172.4 | -164.2 | 0 | 0 | 0 | 0 | 109.7 | T199 | T190-T199 PolarHBondContact N-O 3.47Å; T190-T199 PolarHBondContact O-N 3.07Å; T190-T199 PolarHBondContact O-OG1 3.07Å |
| 191 | M | 83.1 | Confident | 78.2 | Confident | 111 Ų | 111 | 97.2 Ų | 97.2 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 132.8 | 169.8 | -74.5 | -155.4 | 72.6 | 0 | 0 | 110.1 | P193 E196 I198 | M191-P193 WeakPolarHBondContact O-CD 3.25Å; M191-E196 VanDerWaalsContact CE-C 3.41Å; M191-E196 HydrophobicContact CE-CB 4.02Å; M191-E196 WeakPolarHBondContact CE-O 3.47Å; M191-I198 HydrophobicContact CE-CG1 4.36Å; M191-I198 HydrophobicContact CG-CG1 3.87Å; M191-I198 HydrophobicContact SD-CG1 4.39Å |
| 192 | C | 83.4 | Confident | 77.4 | Confident | 42 Ų | 42 | 92.4 Ų | 92.4 | 28% | 0.284 | 52% | 0.52 | S | S | . | . | trans | -78.2 | 115.9 | 171.4 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | R194 C195 E196 R197 | C192-R194 PolarHBondContact O-N 3.35Å; C192-C195 PolarHBondContact O-N 2.85Å; C192-E196 WeakPolarHBondContact O-CA 3.37Å; C192-E196 PolarHBondContact O-N 3.38Å; C192-R197 PolarHBondContact N-O 2.99Å | ||
| 193 | P | 83.9 | Confident | 76.4 | Confident | 132 Ų | 132 | 91.4 Ų | 91.4 | 86% | 0.857 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -7.7 | -177.9 | 27.7 | -35 | 0 | 0 | 0 | 113.7 | M191 | M191-P193 WeakPolarHBondContact O-CD 3.25Š|
| 194 | R | 87.1 | Confident | 75.2 | Confident | 236 Ų | 236 | 91.1 Ų | 91.1 | 89% | 0.891 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -30.1 | -179.7 | -170.3 | 173.6 | -177.4 | 163.8 | 1.9 | 113.8 | C192 | C192-R194 PolarHBondContact O-N 3.35Š|
| 195 | C | 92.2 | Very high | 74 | Confident | 64 Ų | 64 | 100.2 Ų | 100.2 | 43% | 0.432 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -133.9 | 4.9 | -174.9 | 64.7 | 0 | 0 | 0 | 0 | 113.9 | C192 R197 | C192-C195 PolarHBondContact O-N 2.85Å; C195-R197 PolarHBondContact O-N 2.72Å |
| 196 | E | 82.9 | Confident | 72.5 | Confident | 159 Ų | 159 | 103 Ų | 103 | 74% | 0.743 | 59% | 0.586 | S | S | * | * | trans | 53.6 | 23.2 | -179.3 | -59 | -177.9 | 178.3 | 0 | 0 | 113.7 | M191 C192 | M191-E196 VanDerWaalsContact CE-C 3.41Å; M191-E196 HydrophobicContact CE-CB 4.02Å; M191-E196 WeakPolarHBondContact CE-O 3.47Å; C192-E196 WeakPolarHBondContact O-CA 3.37Å; C192-E196 PolarHBondContact O-N 3.38Å | ||
| 197 | R | 82.5 | Confident | 71.3 | Confident | 180 Ų | 180 | 105.3 Ų | 105.3 | 68% | 0.679 | 60% | 0.595 | S | S | * | * | trans | -90 | 142.3 | 173.2 | -65.6 | -173 | -170 | 146.8 | 2.8 | 110.6 | C192 C195 | C192-R197 PolarHBondContact N-O 2.99Å; C195-R197 PolarHBondContact O-N 2.72Å | ||
| 198 | I | 75.5 | Confident | 69.6 | Low | 77 Ų | 77 | 110.4 Ų | 110.4 | 40% | 0.395 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.6 | 124.2 | 173.1 | -59.8 | 166.7 | 0 | 0 | 0 | 108.6 | P173 L189 M191 | P173-I198 HydrophobicContact CG-CD1 4.47Å; L189-I198 HydrophobicContact CB-CG2 3.67Å; L189-I198 HydrophobicContact CD1-CG2 4.01Å; L189-I198 HydrophobicContact CD2-CG2 4.18Å; L189-I198 HydrophobicContact CG-CG2 4.16Å; M191-I198 HydrophobicContact CE-CG1 4.36Å; M191-I198 HydrophobicContact CG-CG1 3.87Å; M191-I198 HydrophobicContact SD-CG1 4.39Å |
| 199 | T | 70.7 | Confident | 68.7 | Low | 69 Ų | 69 | 114.2 Ų | 114.2 | 42% | 0.423 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.3 | 176.2 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | T190 | T190-T199 PolarHBondContact N-O 3.47Å; T190-T199 PolarHBondContact O-N 3.07Å; T190-T199 PolarHBondContact O-OG1 3.07Å |
| 200 | A | 68.7 | Low | 68.1 | Low | 29 Ų | 29 | 118.5 Ų | 118.5 | 24% | 0.24 | 65% | 0.649 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.2 | 133.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L184 T202 | L184-A200 HydrophobicContact CD1-CB 3.37Å; A200-T202 PolarHBondContact O-N 2.93Å |
| 201 | A | 67 | Low | 67.2 | Low | 69 Ų | 69 | 120.3 Ų | 120.3 | 57% | 0.57 | 66% | 0.661 | S | S | * | * | trans | -66 | 102.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | A188 A203 | A188-A201 PolarHBondContact O-N 3.38Å; A201-A203 PolarHBondContact O-N 2.92Å; A201-A203 VanDerWaalsContact O-N 3.09Å | ||
| 202 | T | 59.8 | Low | 66.1 | Low | 111 Ų | 111 | 119.7 Ų | 119.7 | 68% | 0.681 | 67% | 0.674 | S | S | * | * | trans | -68.2 | 106.7 | 170.9 | 42.6 | 0 | 0 | 0 | 0 | 107.9 | A200 A204 | A200-T202 PolarHBondContact O-N 2.93Å; T202-A204 PolarHBondContact O-N 3.2Å | ||
| 203 | A | 56.1 | Low | 64.7 | Low | 104 Ų | 104 | 122.8 Ų | 122.8 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | trans | -58.6 | 105 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | A201 R205 | A201-A203 PolarHBondContact O-N 2.92Å; A201-A203 VanDerWaalsContact O-N 3.09Å; A203-R205 PolarHBondContact O-N 3.06Å | ||
| 204 | A | 48.3 | Very low | 63.7 | Low | 83 Ų | 83 | 121.8 Ų | 121.8 | 69% | 0.686 | 70% | 0.699 | S | S | * | * | trans | -70.6 | 123.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | T202 | T202-A204 PolarHBondContact O-N 3.2Š| ||
| 205 | R | 46.3 | Very low | 62.5 | Low | 231 Ų | 231 | 116 Ų | 116 | 87% | 0.872 | 69% | 0.692 | S | S | * | * | trans | 79.5 | 123.9 | 145.7 | -56.4 | 165.9 | 88.9 | -150.7 | 6.8 | 118.7 | A203 | A203-R205 PolarHBondContact O-N 3.06Š| ||
| 206 | T | 44.7 | Very low | 60.9 | Low | 136 Ų | 136 | 123 Ų | 123 | 83% | 0.834 | 72% | 0.716 | S | S | * | * | -159.7 | 128.2 | 109.8 | 37.6 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 207 | P | 47.6 | Very low | 60.1 | Low | 127 Ų | 127 | 123.9 Ų | 123.9 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 133.9 | 175.8 | 30.3 | -30.1 | 0 | 0 | 0 | 110.9 | ||
| 208 | R | 46.1 | Very low | 59.4 | Low | 222 Ų | 222 | 121.3 Ų | 121.3 | 84% | 0.838 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 134.7 | 178.1 | -175.2 | 176 | -178 | -108.3 | 3 | 110.7 | ||
| 209 | P | 58.6 | Low | 58.7 | Low | 105 Ų | 105 | 129.4 Ų | 129.4 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 153.8 | 175.8 | 30 | -33.2 | 0 | 0 | 0 | 112.3 | ||
| 210 | P | 63.4 | Low | 58.6 | Low | 123 Ų | 123 | 137.7 Ų | 137.7 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 148 | -178.4 | 30.3 | -34.1 | 0 | 0 | 0 | 113.1 | ||
| 211 | P | 63.6 | Low | 58.2 | Low | 116 Ų | 116 | 141.9 Ų | 141.9 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76 | 143.5 | 178.6 | 30.3 | -33.3 | 0 | 0 | 0 | 113.2 | ||
| 212 | A | 58.9 | Low | 57.7 | Low | 99 Ų | 99 | 144.3 Ų | 144.3 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 148.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 213 | A | 53.9 | Low | 57.5 | Low | 106 Ų | 106 | 143.6 Ų | 143.6 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 132 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 214 | S | 64.6 | Low | 57.7 | Low | 111 Ų | 111 | 142.9 Ų | 142.9 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -86 | 147.5 | 173 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 215 | P | 62 | Low | 58.1 | Low | 116 Ų | 116 | 152.5 Ų | 152.5 | 75% | 0.753 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 152.7 | -172.4 | 16.1 | -1.8 | 0 | 0 | 0 | 113.9 | ||
| 216 | F | 56.6 | Low | 58.7 | Low | 211 Ų | 211 | 148.6 Ų | 148.6 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -64 | 134 | 175 | -77.3 | -99 | 0 | 0 | 0 | 112.6 | ||
| 217 | H | 66.3 | Low | 59.4 | Low | 177 Ų | 177 | 149.3 Ų | 149.3 | 82% | 0.819 | 84% | 0.837 | S | S | * | * | trans | -106.8 | 130.2 | 161 | -79 | -74 | 0 | 0 | 0 | 109.9 | ||||
| 218 | P | 67.7 | Low | 60.1 | Low | 126 Ų | 126 | 150.5 Ų | 150.5 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -81 | 143.7 | 178.9 | 31.8 | -31 | 0 | 0 | 0 | 111.8 | ||||
| 219 | R | 61.2 | Low | 60.9 | Low | 246 Ų | 246 | 146.3 Ų | 146.3 | 93% | 0.928 | 84% | 0.838 | S | S | * | * | trans | -64.1 | 144.3 | 174.5 | -81.1 | 173.5 | 162 | -98.4 | 0.9 | 111.8 | ||||
| 220 | R | 68.9 | Low | 61 | Low | 244 Ų | 244 | 148.9 Ų | 148.9 | 92% | 0.921 | 85% | 0.848 | S | S | * | * | trans | -120.5 | 122.7 | 165.1 | -163 | 174.3 | 176 | -97.3 | -0.2 | 107.9 | ||||
| 221 | P | 60.1 | Low | 60.9 | Low | 116 Ų | 116 | 150.6 Ų | 150.6 | 75% | 0.753 | 85% | 0.851 | S | S | * | * | trans | -103.1 | 156.1 | 174.3 | 35.5 | -27.1 | 0 | 0 | 0 | 111.8 | ||||
| 222 | S | 57.4 | Low | 60.7 | Low | 121 Ų | 121 | 153.1 Ų | 153.1 | 85% | 0.846 | 86% | 0.858 | S | S | * | * | trans | 144.8 | 147.1 | 131.3 | -161 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 223 | A | 56.3 | Low | 60.8 | Low | 95 Ų | 95 | 157.2 Ų | 157.2 | 79% | 0.785 | 86% | 0.861 | S | S | * | * | trans | 77.5 | 138 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 224 | A | 60.2 | Low | 61.4 | Low | 90 Ų | 90 | 161.5 Ų | 161.5 | 74% | 0.744 | 86% | 0.86 | S | S | * | * | cis | -171.9 | 135.3 | -4.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 225 | F | 55.7 | Low | 61.1 | Low | 285 Ų | 285 | 166.1 Ų | 166.1 | 100% | 1.25 | 87% | 0.868 | S | S | * | * | trans | -177.8 | 0 | 130.2 | -119.6 | -85 | 0 | 0 | 0 | 109.1 |
Retrieved 225 of 225 residues in 93.4 ms
(Link to these results)