| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.7 | Very low | 40.5 | Very low | 239 Ų | 239 | 146.4 Ų | 146.4 | 100% | 1.177 | 86% | 0.859 | S | S | * | * | 0 | 121.1 | 0 | -66.9 | 172.8 | 165.7 | 0 | 0 | 105.2 | |||||
| 2 | T | 40.2 | Very low | 41.5 | Very low | 144 Ų | 144 | 139 Ų | 139 | 88% | 0.883 | 84% | 0.837 | S | S | * | * | cis | -162.5 | 159 | 44.3 | 16.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3 | A | 38.8 | Very low | 42.6 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | trans | -66.1 | 156.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 4 | Q | 41.3 | Very low | 43.4 | Very low | 201 Ų | 201 | 149.1 Ų | 149.1 | 94% | 0.939 | 83% | 0.83 | S | S | * | * | trans | -152.9 | 104.8 | 134.6 | -113.7 | -173 | -6.2 | 0 | 0 | 109.9 | ||||
| 5 | G | 30.4 | Very low | 45 | Very low | 74 Ų | 74 | 150.2 Ų | 150.2 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | trans | -83.8 | 157 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 6 | G | 32.1 | Very low | 46.3 | Very low | 72 Ų | 72 | 152.7 Ų | 152.7 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | trans | 87.9 | 104.7 | 157 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 7 | L | 38.6 | Very low | 46.9 | Very low | 176 Ų | 176 | 157 Ų | 157 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | 179.1 | 75.6 | 127.2 | -91.1 | 160.5 | 0 | 0 | 0 | 106.9 | A9 | L7-A9 PolarHBondContact O-N 3.11Š| |||
| 8 | V | 44.8 | Very low | 47.9 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | -66.8 | 107.9 | 167.3 | 160.9 | 0 | 0 | 0 | 0 | 107.3 | N10 | V8-N10 PolarHBondContact O-N 3.39Š| ||
| 9 | A | 45.4 | Very low | 49 | Very low | 82 Ų | 82 | 151.6 Ų | 151.6 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | -60.5 | 98.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L7 R11 | L7-A9 PolarHBondContact O-N 3.11Å; A9-R11 VanDerWaalsContact C-N 3.32Å; A9-R11 PolarHBondContact O-N 3.48Å | ||
| 10 | N | 44.3 | Very low | 49.8 | Very low | 154 Ų | 154 | 149.9 Ų | 149.9 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -75.2 | 90.5 | 166.2 | -165.3 | 3.7 | 0 | 0 | 0 | 108.3 | V8 G12 | V8-N10 PolarHBondContact O-N 3.39Å; N10-G12 PolarHBondContact O-N 3.1Å | ||
| 11 | R | 50.8 | Low | 50.2 | Low | 229 Ų | 229 | 150.4 Ų | 150.4 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -63.1 | 88.2 | 169.4 | -96.6 | -179.8 | -97.1 | -170 | -7.3 | 108.5 | A9 R13 | A9-R11 VanDerWaalsContact C-N 3.32Å; A9-R11 PolarHBondContact O-N 3.48Å; R11-R13 PolarHBondContact O-N 2.99Å | ||
| 12 | G | 53 | Low | 50.8 | Low | 58 Ų | 58 | 144.1 Ų | 144.1 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | trans | -53.4 | 125.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | N10 R14 | N10-G12 PolarHBondContact O-N 3.1Å; G12-R14 PolarHBondContact O-N 3.33Å; G12-R14 VanDerWaalsContact O-N 3.1Å | ||
| 13 | R | 54.8 | Low | 50.8 | Low | 221 Ų | 221 | 140.5 Ų | 140.5 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | -53.7 | 107.5 | 177.7 | -68.7 | 167.7 | 152.1 | 177.7 | -8.3 | 110.2 | R11 F15 | R11-R13 PolarHBondContact O-N 2.99Å; R13-F15 WeakPolarHBondContact O-CD2 3.22Å; R13-F15 PolarHBondContact O-N 2.97Å | ||
| 14 | R | 54.9 | Low | 51.3 | Low | 198 Ų | 198 | 142.6 Ų | 142.6 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | trans | -68 | 115 | 173.5 | -66.7 | -161.2 | 178.6 | -109.1 | 5.7 | 109.3 | G12 E20 | G12-R14 PolarHBondContact O-N 3.33Å; G12-R14 VanDerWaalsContact O-N 3.1Å; R14-E20 IonicContact CZ-OE2 3.93Å; R14-E20 IonicContact NH1-OE1 3.2Å; R14-E20 PolarHBondContact NH1-OE1 3.06Å; R14-E20 IonicContact NH1-OE2 2.88Å; R14-E20 PolarHBondContact NH1-OE2 2.87Å | ||
| 15 | F | 67 | Low | 51.2 | Low | 166 Ų | 166 | 136.8 Ų | 136.8 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | trans | -76.5 | 137.1 | 173.9 | -71.4 | -84.6 | 0 | 0 | 0 | 110 | R13 W17 A18 | R13-F15 WeakPolarHBondContact O-CD2 3.22Å; R13-F15 PolarHBondContact O-N 2.97Å; F15-W17 PolarHBondContact O-N 3.2Å; F15-A18 PolarHBondContact O-N 2.91Å | ||
| 16 | K | 65.4 | Low | 51.4 | Low | 190 Ų | 190 | 137.4 Ų | 137.4 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -9.4 | -171.9 | -157.2 | -176.9 | 161.6 | -150.8 | 0 | 114.9 | ||
| 17 | W | 56.3 | Low | 51.6 | Low | 226 Ų | 226 | 137.8 Ų | 137.8 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 16.3 | -179.2 | -58.8 | 109 | 0 | 0 | 0 | 113.4 | F15 I19 | F15-W17 PolarHBondContact O-N 3.2Å; W17-I19 PolarHBondContact O-N 3.22Å |
| 18 | A | 65.2 | Low | 51.4 | Low | 59 Ų | 59 | 134.7 Ų | 134.7 | 49% | 0.488 | 77% | 0.769 | S | S | . | * | trans | -79.8 | 113.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | F15 | F15-A18 PolarHBondContact O-N 2.91Š| ||
| 19 | I | 69.3 | Low | 51.1 | Low | 152 Ų | 152 | 139.6 Ų | 139.6 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -86.4 | 102.9 | 167.1 | -57.3 | 177.2 | 0 | 0 | 0 | 106.4 | W17 L21 | W17-I19 PolarHBondContact O-N 3.22Å; I19-L21 HydrophobicContact CG2-CD1 3.93Å; I19-L21 PolarHBondContact O-N 3.32Å | ||
| 20 | E | 64.8 | Low | 50.7 | Low | 118 Ų | 118 | 139.1 Ų | 139.1 | 55% | 0.551 | 78% | 0.775 | S | S | * | * | trans | -86.2 | 107 | 179.1 | -62.1 | -152.8 | 171.4 | 0 | 0 | 111.1 | R14 S22 | R14-E20 IonicContact CZ-OE2 3.93Å; R14-E20 IonicContact NH1-OE1 3.2Å; R14-E20 PolarHBondContact NH1-OE1 3.06Å; R14-E20 IonicContact NH1-OE2 2.88Å; R14-E20 PolarHBondContact NH1-OE2 2.87Å; E20-S22 PolarHBondContact O-N 2.88Å | ||
| 21 | L | 57.1 | Low | 50.1 | Low | 161 Ų | 161 | 143 Ų | 143 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -83.5 | 80.5 | 167 | -86.6 | 81.9 | 0 | 0 | 0 | 109.4 | I19 | I19-L21 HydrophobicContact CG2-CD1 3.93Å; I19-L21 PolarHBondContact O-N 3.32Å | ||
| 22 | S | 51.4 | Low | 49.4 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | -93.6 | 95.5 | 162.6 | -71 | 0 | 0 | 0 | 0 | 108.8 | E20 | E20-S22 PolarHBondContact O-N 2.88Š| ||
| 23 | G | 41.6 | Very low | 48.7 | Very low | 69 Ų | 69 | 139.8 Ų | 139.8 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -73.6 | 130 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | G25 | G23-G25 PolarHBondContact O-N 3.21Å; G23-G25 VanDerWaalsContact O-N 3.16Å | ||
| 24 | P | 49.8 | Very low | 47.9 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | -81.7 | 97.9 | 175.8 | 30.5 | -29.9 | 0 | 0 | 0 | 109.5 | ||||
| 25 | G | 37.8 | Very low | 46.9 | Very low | 78 Ų | 78 | 134.4 Ų | 134.4 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -81.5 | 134.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G23 | G23-G25 PolarHBondContact O-N 3.21Å; G23-G25 VanDerWaalsContact O-N 3.16Å | ||
| 26 | G | 35.2 | Very low | 45.6 | Very low | 87 Ų | 87 | 132.7 Ų | 132.7 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | 109.4 | 114.2 | 154.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 27 | G | 36.7 | Very low | 44.2 | Very low | 81 Ų | 81 | 126.6 Ų | 126.6 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | 153.2 | 90.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 28 | S | 34.9 | Very low | 43.6 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -67.3 | 162.2 | 170.6 | -52.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 29 | R | 38.5 | Very low | 42.6 | Very low | 249 Ų | 249 | 125.3 Ų | 125.3 | 94% | 0.94 | 79% | 0.787 | S | S | * | * | trans | 101.9 | 117.3 | 150.9 | -60.2 | 164.8 | -179.4 | 178.7 | 0.1 | 116.7 | ||||
| 30 | G | 35.1 | Very low | 41.4 | Very low | 72 Ų | 72 | 124.7 Ų | 124.7 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | 113.7 | 109.5 | 124.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 31 | R | 33.3 | Very low | 40.9 | Very low | 235 Ų | 235 | 121.9 Ų | 121.9 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | 66.5 | 107.9 | 129.1 | -161.2 | 170.5 | -176.4 | 169 | 0 | 118 | |||||
| 32 | S | 36.1 | Very low | 41 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | trans | 4.2 | 116.7 | 136.7 | 59.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 33 | D | 38.5 | Very low | 41.1 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | -176 | 149.9 | 113.1 | -130.1 | -63.8 | 0 | 0 | 0 | 110.4 | |||||
| 34 | R | 36.5 | Very low | 42.3 | Very low | 233 Ų | 233 | 125.8 Ų | 125.8 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | 11.9 | 120 | 158.6 | -71.8 | 158.9 | -171.1 | 170.9 | -0.6 | 119 | ||||
| 35 | G | 34.3 | Very low | 43.1 | Very low | 74 Ų | 74 | 127 Ų | 127 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | 148.7 | 84.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | G37 | G35-G37 PolarHBondContact O-N 3.11Š| ||
| 36 | S | 39.7 | Very low | 44.3 | Very low | 129 Ų | 129 | 127 Ų | 127 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -66.7 | 67.3 | 162.6 | 55.8 | 0 | 0 | 0 | 0 | 109 | Q38 | S36-Q38 PolarHBondContact O-N 3.14Š| ||
| 37 | G | 36.1 | Very low | 45.4 | Very low | 63 Ų | 63 | 129.4 Ų | 129.4 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | trans | -73.3 | 100.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107 | G35 G39 | G35-G37 PolarHBondContact O-N 3.11Å; G37-G39 VanDerWaalsContact C-N 3.31Å; G37-G39 PolarHBondContact O-N 3.27Å | ||
| 38 | Q | 44.6 | Very low | 47.1 | Very low | 185 Ų | 185 | 131.8 Ų | 131.8 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | 28.9 | 66.6 | 129.1 | -161.2 | 158 | 35.8 | 0 | 0 | 114.2 | S36 | S36-Q38 PolarHBondContact O-N 3.14Š| |||
| 39 | G | 43.7 | Very low | 48.2 | Very low | 73 Ų | 73 | 132.5 Ų | 132.5 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | trans | -88.9 | 104.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | G37 S41 | G37-G39 VanDerWaalsContact C-N 3.31Å; G37-G39 PolarHBondContact O-N 3.27Å; G39-S41 PolarHBondContact O-N 2.64Å | ||
| 40 | D | 44.2 | Very low | 49 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | -41.1 | 116 | -178.8 | -65.9 | -58.3 | 0 | 0 | 0 | 113.8 | L42 | D40-L42 PolarHBondContact O-N 2.8Š| ||
| 41 | S | 53.1 | Low | 49.6 | Very low | 60 Ų | 60 | 132.9 Ų | 132.9 | 42% | 0.42 | 74% | 0.737 | S | S | . | * | 39 | 65.7 | 111.8 | 176.2 | 0 | 0 | 0 | 0 | 115.2 | G39 Y43 | G39-S41 PolarHBondContact O-N 2.64Å; S41-Y43 PolarHBondContact O-N 3.41Å; S41-Y43 WeakPolarHBondContact OG-CD1 3.44Å; S41-Y43 WeakPolarHBondContact OG-CE1 3.4Å; S41-Y43 VanDerWaalsContact OG-CE2 3.28Å; S41-Y43 WeakPolarHBondContact OG-CE2 3.35Å; S41-Y43 PolarHBondContact OG-OH 2.84Å; S41-Y43 VanDerWaalsContact OG-OH 3.07Å | |||
| 42 | L | 59 | Low | 50.6 | Low | 176 Ų | 176 | 124.7 Ų | 124.7 | 92% | 0.921 | 71% | 0.713 | S | S | * | * | trans | -93.9 | 42.6 | 161.9 | -153.8 | 80.8 | 0 | 0 | 0 | 110.2 | D40 | D40-L42 PolarHBondContact O-N 2.8Š| ||
| 43 | Y | 55.1 | Low | 51.3 | Low | 147 Ų | 147 | 124.2 Ų | 124.2 | 58% | 0.576 | 71% | 0.707 | S | S | * | * | trans | -85.5 | 128.6 | 170 | 41.3 | -102.5 | 0 | 0 | 0 | 109.5 | S41 | S41-Y43 PolarHBondContact O-N 3.41Å; S41-Y43 WeakPolarHBondContact OG-CD1 3.44Å; S41-Y43 WeakPolarHBondContact OG-CE1 3.4Å; S41-Y43 VanDerWaalsContact OG-CE2 3.28Å; S41-Y43 WeakPolarHBondContact OG-CE2 3.35Å; S41-Y43 PolarHBondContact OG-OH 2.84Å; S41-Y43 VanDerWaalsContact OG-OH 3.07Å | ||
| 44 | P | 65.8 | Low | 52.1 | Low | 95 Ų | 95 | 124 Ų | 124 | 62% | 0.617 | 71% | 0.706 | S | S | * | * | trans | -63.2 | 151.2 | 175 | 26.4 | -33 | 0 | 0 | 0 | 110.6 | G46 Y47 | P44-G46 PolarHBondContact O-N 3.35Å; P44-Y47 PolarHBondContact O-N 3.2Å | ||
| 45 | V | 67.5 | Low | 53.2 | Low | 163 Ų | 163 | 118.1 Ų | 118.1 | 99% | 0.988 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | 103 | 174.6 | 169.7 | 0 | 0 | 0 | 0 | 108.7 | ||
| 46 | G | 62.7 | Low | 54.4 | Low | 78 Ų | 78 | 116.9 Ų | 116.9 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 129.5 | -10.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | P44 L48 | P44-G46 PolarHBondContact O-N 3.35Å; G46-L48 PolarHBondContact O-N 3.21Å |
| 47 | Y | 57.8 | Low | 55.4 | Low | 137 Ų | 137 | 113.3 Ų | 113.3 | 54% | 0.537 | 65% | 0.649 | S | S | . | * | trans | -82.4 | 105.4 | 175.3 | -172.2 | -92.3 | 0 | 0 | 0 | 110.5 | P44 D49 | P44-Y47 PolarHBondContact O-N 3.2Å; Y47-D49 HydrophobicContact CE1-CB 4.01Å; Y47-D49 WeakPolarHBondContact CE1-OD2 3.12Å; Y47-D49 VanDerWaalsContact CZ-OD2 3.29Å; Y47-D49 PolarHBondContact OH-OD2 2.96Å | ||
| 48 | L | 71.9 | Confident | 56.7 | Low | 131 Ų | 131 | 115.7 Ų | 115.7 | 69% | 0.686 | 64% | 0.643 | S | S | * | * | trans | -114.1 | 109 | 172.1 | -157.9 | 80.2 | 0 | 0 | 0 | 108.3 | G46 K50 | G46-L48 PolarHBondContact O-N 3.21Å; L48-K50 HydrophobicContact CD2-CB 4.2Å; L48-K50 HydrophobicContact CD2-CD 4.41Å; L48-K50 HydrophobicContact CG-CB 4.36Å; L48-K50 PolarHBondContact O-N 2.9Å | ||
| 49 | D | 58.2 | Low | 57.7 | Low | 125 Ų | 125 | 112.2 Ų | 112.2 | 67% | 0.668 | 63% | 0.626 | S | S | * | * | trans | -75.1 | 23.1 | 178.7 | -136.6 | -54.2 | 0 | 0 | 0 | 112.9 | Y47 Q51 | Y47-D49 HydrophobicContact CE1-CB 4.01Å; Y47-D49 WeakPolarHBondContact CE1-OD2 3.12Å; Y47-D49 VanDerWaalsContact CZ-OD2 3.29Å; Y47-D49 PolarHBondContact OH-OD2 2.96Å; D49-Q51 PolarHBondContact O-N 3.07Å | ||
| 50 | K | 55.1 | Low | 59.2 | Low | 158 Ų | 158 | 112.2 Ų | 112.2 | 69% | 0.687 | 61% | 0.612 | S | S | * | * | trans | -90.3 | 104.3 | 168 | -76.1 | 178.5 | -177.6 | -76.4 | 0 | 105.8 | L48 V52 | L48-K50 HydrophobicContact CD2-CB 4.2Å; L48-K50 HydrophobicContact CD2-CD 4.41Å; L48-K50 HydrophobicContact CG-CB 4.36Å; L48-K50 PolarHBondContact O-N 2.9Å; K50-V52 HydrophobicContact CB-CG2 4.21Å; K50-V52 PolarHBondContact O-N 3.02Å | ||
| 51 | Q | 48.1 | Very low | 60.7 | Low | 171 Ų | 171 | 109.6 Ų | 109.6 | 80% | 0.799 | 60% | 0.598 | S | S | * | * | trans | -59.9 | 79.9 | 159 | -167.9 | 175.7 | -11.3 | 0 | 0 | 107.4 | D49 | D49-Q51 PolarHBondContact O-N 3.07Š| ||
| 52 | V | 53.6 | Low | 61.8 | Low | 63 Ų | 63 | 112.2 Ų | 112.2 | 38% | 0.382 | 60% | 0.599 | S | S | . | * | trans | -62.6 | 128.2 | 174 | 169.1 | 0 | 0 | 0 | 0 | 105.5 | K50 D54 S56 V57 | K50-V52 HydrophobicContact CB-CG2 4.21Å; K50-V52 PolarHBondContact O-N 3.02Å; V52-D54 PolarHBondContact O-N 3.01Å; V52-S56 WeakPolarHBondContact CG1-OG 3.37Å; V52-V57 HydrophobicContact CB-CG2 3.94Å; V52-V57 HydrophobicContact CG1-CG2 3.85Å; V52-V57 WeakPolarHBondContact O-CG2 3.41Å | ||
| 53 | P | 51.5 | Low | 62.8 | Low | 83 Ų | 83 | 107.1 Ų | 107.1 | 54% | 0.539 | 57% | 0.572 | S | S | . | * | trans | -50 | 129.8 | -169 | 2.5 | -13.4 | 0 | 0 | 0 | 110.8 | T55 S56 V57 | P53-T55 PolarHBondContact O-N 2.98Å; P53-S56 PolarHBondContact O-N 3.17Å; P53-S56 PolarHBondContact O-OG 3.44Å; P53-V57 PolarHBondContact O-N 3Å | ||
| 54 | D | 55.9 | Low | 64 | Low | 121 Ų | 121 | 105 Ų | 105 | 65% | 0.647 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -49.1 | -30.6 | -168.7 | -61.1 | -50.2 | 0 | 0 | 0 | 113.2 | V52 Q58 | V52-D54 PolarHBondContact O-N 3.01Å; D54-Q58 WeakPolarHBondContact O-CB 3.43Å; D54-Q58 PolarHBondContact O-N 3.08Å |
| 55 | T | 58.9 | Low | 64.6 | Low | 111 Ų | 111 | 102.5 Ų | 102.5 | 68% | 0.681 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.9 | -42.5 | 174.7 | 15.4 | 0 | 0 | 0 | 0 | 113.9 | P53 E59 | P53-T55 PolarHBondContact O-N 2.98Å; T55-E59 PolarHBondContact O-N 3.45Å |
| 56 | S | 59.7 | Low | 65.2 | Low | 47 Ų | 47 | 97.4 Ų | 97.4 | 33% | 0.329 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.4 | -35.3 | 178.2 | 58.2 | 0 | 0 | 0 | 0 | 112.1 | V52 P53 T60 | V52-S56 WeakPolarHBondContact CG1-OG 3.37Å; P53-S56 PolarHBondContact O-N 3.17Å; P53-S56 PolarHBondContact O-OG 3.44Å; S56-T60 VanDerWaalsContact O-CG2 3.31Å; S56-T60 WeakPolarHBondContact O-CG2 3.09Å; S56-T60 PolarHBondContact O-N 3.04Å; S56-T60 PolarHBondContact O-OG1 2.9Å; S56-T60 VanDerWaalsContact O-OG1 3.05Å |
| 57 | V | 61.2 | Low | 66 | Low | 55 Ų | 55 | 99.8 Ų | 99.8 | 33% | 0.333 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -48.9 | 172.4 | -178.6 | 0 | 0 | 0 | 0 | 109.8 | V52 P53 E59 T60 D61 | V52-V57 HydrophobicContact CB-CG2 3.94Å; V52-V57 HydrophobicContact CG1-CG2 3.85Å; V52-V57 WeakPolarHBondContact O-CG2 3.41Å; P53-V57 PolarHBondContact O-N 3Å; V57-E59 PolarHBondContact O-N 3.48Å; V57-T60 WeakPolarHBondContact CA-OG1 3.48Å; V57-T60 PolarHBondContact O-N 3.37Å; V57-T60 PolarHBondContact O-OG1 3.09Å; V57-D61 WeakPolarHBondContact O-CB 3.42Å; V57-D61 PolarHBondContact O-N 3.3Å |
| 58 | Q | 63.4 | Low | 67 | Low | 112 Ų | 112 | 101 Ų | 101 | 52% | 0.523 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 179.9 | -168.9 | 175.7 | 27.3 | 0 | 0 | 112.2 | D54 D61 R62 | D54-Q58 WeakPolarHBondContact O-CB 3.43Å; D54-Q58 PolarHBondContact O-N 3.08Å; Q58-D61 PolarHBondContact O-N 3.39Å; Q58-R62 VanDerWaalsContact O-CG 3.23Å; Q58-R62 WeakPolarHBondContact O-CG 3.47Å; Q58-R62 PolarHBondContact O-N 2.91Å |
| 59 | E | 65.9 | Low | 67.4 | Low | 112 Ų | 112 | 95 Ų | 95 | 52% | 0.523 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 177.6 | -167.2 | 61.5 | -148.9 | 0 | 0 | 111.4 | T55 V57 D61 R62 I63 | T55-E59 PolarHBondContact O-N 3.45Å; V57-E59 PolarHBondContact O-N 3.48Å; E59-D61 VanDerWaalsContact C-N 3.33Å; E59-D61 PolarHBondContact O-N 3.05Å; E59-R62 PolarHBondContact O-N 3.22Å; E59-I63 HydrophobicContact CG-CD1 4.13Å; E59-I63 VanDerWaalsContact O-CG1 3.28Å; E59-I63 WeakPolarHBondContact O-CG1 3.46Å; E59-I63 PolarHBondContact O-N 3.4Å |
| 60 | T | 74.6 | Confident | 68.5 | Low | 73 Ų | 73 | 92.8 Ų | 92.8 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 174.7 | 54.7 | 0 | 0 | 0 | 0 | 112 | S56 V57 R62 I63 L64 | S56-T60 VanDerWaalsContact O-CG2 3.31Å; S56-T60 WeakPolarHBondContact O-CG2 3.09Å; S56-T60 PolarHBondContact O-N 3.04Å; S56-T60 PolarHBondContact O-OG1 2.9Å; S56-T60 VanDerWaalsContact O-OG1 3.05Å; V57-T60 WeakPolarHBondContact CA-OG1 3.48Å; V57-T60 PolarHBondContact O-N 3.37Å; V57-T60 PolarHBondContact O-OG1 3.09Å; T60-R62 VanDerWaalsContact C-N 3.34Å; T60-R62 PolarHBondContact O-N 3.4Å; T60-I63 PolarHBondContact O-N 3.4Å; T60-L64 WeakPolarHBondContact O-CB 3.26Å; T60-L64 WeakPolarHBondContact O-CG 3.31Å; T60-L64 PolarHBondContact O-N 3.1Å |
| 61 | D | 75.9 | Confident | 69.9 | Low | 83 Ų | 83 | 89.8 Ų | 89.8 | 44% | 0.444 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 177.3 | -72.5 | -23.9 | 0 | 0 | 0 | 111.1 | V57 Q58 E59 L64 V65 | V57-D61 WeakPolarHBondContact O-CB 3.42Å; V57-D61 PolarHBondContact O-N 3.3Å; Q58-D61 PolarHBondContact O-N 3.39Å; E59-D61 VanDerWaalsContact C-N 3.33Å; E59-D61 PolarHBondContact O-N 3.05Å; D61-L64 PolarHBondContact O-N 3.43Å; D61-V65 WeakPolarHBondContact O-CB 3.25Å; D61-V65 VanDerWaalsContact O-CG2 3.26Å; D61-V65 WeakPolarHBondContact O-CG2 3.34Å; D61-V65 PolarHBondContact O-N 3.13Å |
| 62 | R | 76.1 | Confident | 71.4 | Confident | 116 Ų | 116 | 84 Ų | 84 | 44% | 0.438 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 176.2 | -68.6 | -176.4 | 99.7 | 77.2 | 16.5 | 112 | Q58 E59 T60 L64 V65 E66 S125 | Q58-R62 VanDerWaalsContact O-CG 3.23Å; Q58-R62 WeakPolarHBondContact O-CG 3.47Å; Q58-R62 PolarHBondContact O-N 2.91Å; E59-R62 PolarHBondContact O-N 3.22Å; T60-R62 VanDerWaalsContact C-N 3.34Å; T60-R62 PolarHBondContact O-N 3.4Å; R62-L64 VanDerWaalsContact C-N 3.31Å; R62-L64 PolarHBondContact O-N 3.41Å; R62-V65 PolarHBondContact O-N 3.48Å; R62-E66 WeakPolarHBondContact O-CB 3.45Å; R62-E66 PolarHBondContact O-N 2.73Å; R62-S125 PolarHBondContact NH2-O 3.46Å |
| 63 | I | 79.6 | Confident | 72.7 | Confident | 69 Ų | 69 | 81.1 Ų | 81.1 | 35% | 0.354 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 176.9 | -65.9 | 164.8 | 0 | 0 | 0 | 110.5 | E59 T60 E66 K67 | E59-I63 HydrophobicContact CG-CD1 4.13Å; E59-I63 VanDerWaalsContact O-CG1 3.28Å; E59-I63 WeakPolarHBondContact O-CG1 3.46Å; E59-I63 PolarHBondContact O-N 3.4Å; T60-I63 PolarHBondContact O-N 3.4Å; I63-E66 PolarHBondContact O-N 3.21Å; I63-K67 HydrophobicContact CG2-CD 4.3Å; I63-K67 WeakPolarHBondContact O-CG 3.31Å; I63-K67 PolarHBondContact O-N 2.89Å |
| 64 | L | 79.8 | Confident | 74.1 | Confident | 102 Ų | 102 | 79.8 Ų | 79.8 | 53% | 0.534 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67 | -41.1 | 177.1 | -70.4 | 171.2 | 0 | 0 | 0 | 111.9 | T60 D61 R62 K67 R68 | T60-L64 WeakPolarHBondContact O-CB 3.26Å; T60-L64 WeakPolarHBondContact O-CG 3.31Å; T60-L64 PolarHBondContact O-N 3.1Å; D61-L64 PolarHBondContact O-N 3.43Å; R62-L64 VanDerWaalsContact C-N 3.31Å; R62-L64 PolarHBondContact O-N 3.41Å; L64-K67 PolarHBondContact O-N 3.48Å; L64-R68 WeakPolarHBondContact O-CB 3.32Å; L64-R68 PolarHBondContact O-N 2.89Å |
| 65 | V | 79.7 | Confident | 75.4 | Confident | 42 Ų | 42 | 75.3 Ų | 75.3 | 26% | 0.255 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 174.3 | 168.2 | 0 | 0 | 0 | 0 | 110.6 | D61 R62 R68 C69 | D61-V65 WeakPolarHBondContact O-CB 3.25Å; D61-V65 VanDerWaalsContact O-CG2 3.26Å; D61-V65 WeakPolarHBondContact O-CG2 3.34Å; D61-V65 PolarHBondContact O-N 3.13Å; R62-V65 PolarHBondContact O-N 3.48Å; V65-R68 PolarHBondContact O-N 3.48Å; V65-C69 PolarHBondContact O-N 2.85Å; V65-C69 PolarHBondContact O-SG 3.26Å |
| 66 | E | 79.5 | Confident | 76.4 | Confident | 57 Ų | 57 | 71 Ų | 71 | 27% | 0.266 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 178.2 | 179.7 | 170.4 | -171.9 | 0 | 0 | 111.7 | R62 I63 R68 C69 W70 | R62-E66 WeakPolarHBondContact O-CB 3.45Å; R62-E66 PolarHBondContact O-N 2.73Å; I63-E66 PolarHBondContact O-N 3.21Å; E66-R68 VanDerWaalsContact C-N 3.33Å; E66-R68 PolarHBondContact O-N 3.35Å; E66-C69 PolarHBondContact O-N 3.34Å; E66-W70 VanDerWaalsContact O-CD1 3.24Å; E66-W70 PolarHBondContact O-N 3.42Å |
| 67 | K | 79.8 | Confident | 77.4 | Confident | 127 Ų | 127 | 72.1 Ų | 72.1 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58 | -44.8 | 174.4 | -73.9 | 173.1 | -178.2 | 172.6 | 0 | 111.9 | I63 L64 C69 W70 D71 | I63-K67 HydrophobicContact CG2-CD 4.3Å; I63-K67 WeakPolarHBondContact O-CG 3.31Å; I63-K67 PolarHBondContact O-N 2.89Å; L64-K67 PolarHBondContact O-N 3.48Å; K67-C69 PolarHBondContact O-N 3.1Å; K67-W70 PolarHBondContact O-N 2.99Å; K67-D71 PolarHBondContact O-N 3.19Å |
| 68 | R | 80 | Confident | 78.5 | Confident | 164 Ų | 164 | 75.3 Ų | 75.3 | 62% | 0.619 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.3 | -41.3 | 175.9 | 174.8 | 177.8 | -88.1 | 176.4 | -5.7 | 111.9 | L64 V65 E66 W70 D71 I72 | L64-R68 WeakPolarHBondContact O-CB 3.32Å; L64-R68 PolarHBondContact O-N 2.89Å; V65-R68 PolarHBondContact O-N 3.48Å; E66-R68 VanDerWaalsContact C-N 3.33Å; E66-R68 PolarHBondContact O-N 3.35Å; R68-W70 VanDerWaalsContact C-N 3.35Å; R68-D71 PolarHBondContact O-N 2.95Å; R68-I72 HydrophobicContact CG-CD1 4.02Å; R68-I72 VanDerWaalsContact O-CG1 3.32Å; R68-I72 WeakPolarHBondContact O-CG1 3.47Å; R68-I72 PolarHBondContact O-N 2.99Å |
| 69 | C | 78.8 | Confident | 79.3 | Confident | 3 Ų | 3 | 74.7 Ų | 74.7 | 2% | 0.02 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 178.1 | -66.2 | 0 | 0 | 0 | 0 | 111.5 | V65 E66 K67 D71 I72 A73 L123 Q132 | V65-C69 PolarHBondContact O-N 2.85Å; V65-C69 PolarHBondContact O-SG 3.26Å; E66-C69 PolarHBondContact O-N 3.34Å; K67-C69 PolarHBondContact O-N 3.1Å; C69-D71 VanDerWaalsContact C-N 3.34Å; C69-I72 PolarHBondContact O-N 3.16Å; C69-A73 WeakPolarHBondContact O-CB 3.24Å; C69-A73 PolarHBondContact O-N 2.96Å; C69-L123 HydrophobicContact CB-CD1 4.11Å; C69-L123 HydrophobicContact CB-CG 4.19Å; C69-Q132 VanDerWaalsContact CB-CD 3.44Å; C69-Q132 HydrophobicContact CB-CG 4.39Å; C69-Q132 VanDerWaalsContact CB-OE1 3.3Å |
| 70 | W | 82.2 | Confident | 80.2 | Confident | 80 Ų | 80 | 70.1 Ų | 70.1 | 30% | 0.303 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 171.7 | -85.9 | 109.6 | 0 | 0 | 0 | 112.4 | E66 K67 R68 A73 L74 L131 | E66-W70 VanDerWaalsContact O-CD1 3.24Å; E66-W70 PolarHBondContact O-N 3.42Å; K67-W70 PolarHBondContact O-N 2.99Å; R68-W70 VanDerWaalsContact C-N 3.35Å; W70-A73 PolarHBondContact O-N 3.12Å; W70-L74 VanDerWaalsContact O-CB 3.31Å; W70-L74 WeakPolarHBondContact O-CB 3.42Å; W70-L74 WeakPolarHBondContact O-CG 3.18Å; W70-L74 PolarHBondContact O-N 3.22Å; W70-L131 HydrophobicContact CH2-CD2 3.34Å; W70-L131 HydrophobicContact CZ2-CD2 3.75Å; W70-L131 HydrophobicContact CZ3-CD2 4.26Å |
| 71 | D | 84 | Confident | 80.6 | Confident | 95 Ų | 95 | 70.6 Ų | 70.6 | 51% | 0.508 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 175 | -81 | -36.8 | 0 | 0 | 0 | 112.9 | K67 R68 C69 G75 K78 | K67-D71 PolarHBondContact O-N 3.19Å; R68-D71 PolarHBondContact O-N 2.95Å; C69-D71 VanDerWaalsContact C-N 3.34Å; D71-G75 PolarHBondContact O-N 2.9Å; D71-K78 IonicContact OD1-NZ 3.58Å |
| 72 | I | 79.2 | Confident | 81 | Confident | 50 Ų | 50 | 72.2 Ų | 72.2 | 26% | 0.256 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.5 | -46.5 | 175.6 | -66.3 | 163.8 | 0 | 0 | 0 | 110.5 | R68 C69 L74 G75 P76 T119 M122 Y136 | R68-I72 HydrophobicContact CG-CD1 4.02Å; R68-I72 VanDerWaalsContact O-CG1 3.32Å; R68-I72 WeakPolarHBondContact O-CG1 3.47Å; R68-I72 PolarHBondContact O-N 2.99Å; C69-I72 PolarHBondContact O-N 3.16Å; I72-L74 VanDerWaalsContact C-N 3.31Å; I72-L74 PolarHBondContact O-N 3.41Å; I72-G75 PolarHBondContact O-N 3.43Å; I72-G75 VanDerWaalsContact O-N 3.11Å; I72-P76 VanDerWaalsContact O-CD 3.29Å; I72-P76 WeakPolarHBondContact O-CD 3.38Å; I72-T119 HydrophobicContact CG2-CG2 4.29Å; I72-M122 HydrophobicContact CD1-CE 3.69Å; I72-M122 HydrophobicContact CD1-SD 3.83Å; I72-Y136 HydrophobicContact CG2-CD2 4.45Å; I72-Y136 HydrophobicContact CG2-CE2 4.5Å |
| 73 | A | 80.5 | Confident | 81.3 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 2% | 0.017 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.9 | -37.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | C69 W70 G75 V135 | C69-A73 WeakPolarHBondContact O-CB 3.24Å; C69-A73 PolarHBondContact O-N 2.96Å; W70-A73 PolarHBondContact O-N 3.12Å; A73-G75 VanDerWaalsContact C-N 3.32Å; A73-V135 HydrophobicContact CB-CB 4.26Å; A73-V135 HydrophobicContact CB-CG1 4.02Å |
| 74 | L | 82.2 | Confident | 81.2 | Confident | 54 Ų | 54 | 69.2 Ų | 69.2 | 28% | 0.283 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -77.5 | -14.7 | 175.6 | -69.1 | 172.6 | 0 | 0 | 0 | 113.5 | W70 I72 L77 K78 | W70-L74 VanDerWaalsContact O-CB 3.31Å; W70-L74 WeakPolarHBondContact O-CB 3.42Å; W70-L74 WeakPolarHBondContact O-CG 3.18Å; W70-L74 PolarHBondContact O-N 3.22Å; I72-L74 VanDerWaalsContact C-N 3.31Å; I72-L74 PolarHBondContact O-N 3.41Å; L74-L77 HydrophobicContact CD2-CD2 4.01Å; L74-L77 PolarHBondContact O-N 2.08Å; L74-K78 HydrophobicContact CB-CD 4.28Å; L74-K78 WeakPolarHBondContact O-CB 3.17Å; L74-K78 VanDerWaalsContact O-CG 3.26Å; L74-K78 WeakPolarHBondContact O-CG 3.27Å; L74-K78 PolarHBondContact O-N 2.7Å |
| 75 | G | 83.2 | Confident | 81.3 | Confident | 27 Ų | 27 | 70 Ų | 70 | 28% | 0.278 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -53.7 | -57.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D71 I72 A73 L77 K78 | D71-G75 PolarHBondContact O-N 2.9Å; I72-G75 PolarHBondContact O-N 3.43Å; I72-G75 VanDerWaalsContact O-N 3.11Å; A73-G75 VanDerWaalsContact C-N 3.32Å; G75-L77 VanDerWaalsContact C-N 3.33Å; G75-L77 PolarHBondContact O-N 3.23Å; G75-K78 PolarHBondContact O-N 3.42Å |
| 76 | P | 79.5 | Confident | 81.2 | Confident | 22 Ų | 22 | 72.2 Ų | 72.2 | 14% | 0.143 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 176.4 | -23.3 | 33.2 | 0 | 0 | 0 | 112.8 | I72 K78 Q79 Y136 | I72-P76 VanDerWaalsContact O-CD 3.29Å; I72-P76 WeakPolarHBondContact O-CD 3.38Å; P76-K78 PolarHBondContact O-N 3.5Å; P76-Q79 PolarHBondContact O-N 3.23Å; P76-Y136 HydrophobicContact CG-CD2 4.04Å; P76-Y136 HydrophobicContact CG-CE2 4.09Å |
| 77 | L | 81.2 | Confident | 80.6 | Confident | 69 Ų | 69 | 71.1 Ų | 71.1 | 36% | 0.361 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.9 | -38.7 | -178.8 | -172.4 | 65.8 | 0 | 0 | 0 | 112.1 | L74 G75 Q79 I80 P81 | L74-L77 HydrophobicContact CD2-CD2 4.01Å; L74-L77 PolarHBondContact O-N 2.08Å; G75-L77 VanDerWaalsContact C-N 3.33Å; G75-L77 PolarHBondContact O-N 3.23Å; L77-Q79 VanDerWaalsContact C-N 3.27Å; L77-Q79 PolarHBondContact O-N 2.8Å; L77-I80 HydrophobicContact CD1-CD1 4.36Å; L77-I80 PolarHBondContact O-N 3.17Å; L77-P81 WeakPolarHBondContact O-CD 3.38Å |
| 78 | K | 83.4 | Confident | 80.4 | Confident | 123 Ų | 123 | 73.7 Ų | 73.7 | 54% | 0.535 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.6 | -27.4 | 178.4 | -75.4 | 169.7 | 177 | 170.1 | 0 | 113 | D71 L74 G75 P76 | D71-K78 IonicContact OD1-NZ 3.58Å; L74-K78 HydrophobicContact CB-CD 4.28Å; L74-K78 WeakPolarHBondContact O-CB 3.17Å; L74-K78 VanDerWaalsContact O-CG 3.26Å; L74-K78 WeakPolarHBondContact O-CG 3.27Å; L74-K78 PolarHBondContact O-N 2.7Å; G75-K78 PolarHBondContact O-N 3.42Å; P76-K78 PolarHBondContact O-N 3.5Å |
| 79 | Q | 81.6 | Confident | 80 | Confident | 98 Ų | 98 | 71.9 Ų | 71.9 | 46% | 0.458 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -78.3 | -26.3 | -179.9 | -67.1 | -178 | -1.4 | 0 | 0 | 112.9 | P76 L77 M82 N83 M105 | P76-Q79 PolarHBondContact O-N 3.23Å; L77-Q79 VanDerWaalsContact C-N 3.27Å; L77-Q79 PolarHBondContact O-N 2.8Å; Q79-M82 PolarHBondContact O-N 3.24Å; Q79-N83 WeakPolarHBondContact O-CB 3.2Å; Q79-N83 VanDerWaalsContact O-CG 3.25Å; Q79-N83 PolarHBondContact O-N 3.26Å; Q79-N83 PolarHBondContact O-OD1 3.35Å; Q79-M105 HydrophobicContact CB-CE 4.09Å; Q79-M105 HydrophobicContact CG-CE 4.23Å |
| 80 | I | 83.5 | Confident | 79.4 | Confident | 17 Ų | 17 | 73.6 Ų | 73.6 | 9% | 0.087 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60 | -51.9 | -176.1 | -69.4 | 168.1 | 0 | 0 | 0 | 112.4 | L77 M82 N83 L84 M142 L146 | L77-I80 HydrophobicContact CD1-CD1 4.36Å; L77-I80 PolarHBondContact O-N 3.17Å; I80-M82 VanDerWaalsContact C-N 3.31Å; I80-M82 PolarHBondContact O-N 2.86Å; I80-N83 PolarHBondContact O-N 3.47Å; I80-L84 VanDerWaalsContact O-CB 3.32Å; I80-L84 WeakPolarHBondContact O-CB 3.13Å; I80-L84 PolarHBondContact O-N 3.45Å; I80-M142 HydrophobicContact CD1-CB 3.78Å; I80-M142 HydrophobicContact CD1-CG 3.81Å; I80-M142 HydrophobicContact CD1-SD 3.93Å; I80-L146 HydrophobicContact CG2-CD1 3.37Å |
| 81 | P | 84.2 | Confident | 78.3 | Confident | 82 Ų | 82 | 71.9 Ų | 71.9 | 53% | 0.532 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 179 | -25.2 | 34.4 | 0 | 0 | 0 | 113 | L77 L84 F85 | L77-P81 WeakPolarHBondContact O-CD 3.38Å; P81-L84 PolarHBondContact O-N 3.07Å; P81-F85 VanDerWaalsContact O-CB 3.31Å; P81-F85 WeakPolarHBondContact O-CB 3.3Å; P81-F85 PolarHBondContact O-N 3.23Å |
| 82 | M | 83.9 | Confident | 77.1 | Confident | 118 Ų | 118 | 73.5 Ų | 73.5 | 58% | 0.581 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.7 | -49.2 | 179.1 | -175.9 | 65 | 78 | 0 | 0 | 111 | Q79 I80 L84 F85 I86 | Q79-M82 PolarHBondContact O-N 3.24Å; I80-M82 VanDerWaalsContact C-N 3.31Å; I80-M82 PolarHBondContact O-N 2.86Å; M82-L84 PolarHBondContact O-N 3.35Å; M82-F85 PolarHBondContact O-N 3.37Å; M82-I86 HydrophobicContact CG-CD1 4.22Å; M82-I86 WeakPolarHBondContact O-CG1 3.45Å; M82-I86 PolarHBondContact O-N 2.91Å; M82-I86 VanDerWaalsContact O-N 3.13Å; M82-I86 HydrophobicContact SD-CD1 4.42Å |
| 83 | N | 81.4 | Confident | 76 | Confident | 36 Ų | 36 | 76.3 Ų | 76.3 | 19% | 0.193 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 179.7 | -68 | -6.6 | 0 | 0 | 0 | 111.6 | Q79 I80 F85 I86 M87 M105 | Q79-N83 WeakPolarHBondContact O-CB 3.2Å; Q79-N83 VanDerWaalsContact O-CG 3.25Å; Q79-N83 PolarHBondContact O-N 3.26Å; Q79-N83 PolarHBondContact O-OD1 3.35Å; I80-N83 PolarHBondContact O-N 3.47Å; N83-F85 VanDerWaalsContact C-N 3.34Å; N83-F85 PolarHBondContact O-N 3Å; N83-I86 PolarHBondContact O-N 3.07Å; N83-M87 VanDerWaalsContact O-CG 3.26Å; N83-M87 WeakPolarHBondContact O-CG 3.49Å; N83-M87 PolarHBondContact O-N 2.93Å; N83-M87 VanDerWaalsContact O-N 3.1Å; N83-M105 WeakPolarHBondContact ND2-CE 3.47Å; N83-M105 PolarHBondContact ND2-SD 2.94Å; N83-M105 WeakPolarHBondContact OD1-CE 3.33Å; N83-M105 PolarHBondContact OD1-SD 3.17Å |
| 84 | L | 78.6 | Confident | 74.8 | Confident | 85 Ų | 85 | 81.5 Ų | 81.5 | 45% | 0.445 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 178.8 | -171.2 | 68.7 | 0 | 0 | 0 | 111.8 | I80 P81 M82 M87 Y88 | I80-L84 VanDerWaalsContact O-CB 3.32Å; I80-L84 WeakPolarHBondContact O-CB 3.13Å; I80-L84 PolarHBondContact O-N 3.45Å; P81-L84 PolarHBondContact O-N 3.07Å; M82-L84 PolarHBondContact O-N 3.35Å; L84-M87 PolarHBondContact O-N 3.13Å; L84-Y88 WeakPolarHBondContact O-CB 3.25Å; L84-Y88 PolarHBondContact O-N 3.08Å |
| 85 | F | 82 | Confident | 73.6 | Confident | 120 Ų | 120 | 82.1 Ų | 82.1 | 53% | 0.526 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.1 | -44.7 | 178.6 | -177.9 | -102.3 | 0 | 0 | 0 | 112.4 | P81 M82 N83 M87 Y88 M89 | P81-F85 VanDerWaalsContact O-CB 3.31Å; P81-F85 WeakPolarHBondContact O-CB 3.3Å; P81-F85 PolarHBondContact O-N 3.23Å; M82-F85 PolarHBondContact O-N 3.37Å; N83-F85 VanDerWaalsContact C-N 3.34Å; N83-F85 PolarHBondContact O-N 3Å; F85-M87 VanDerWaalsContact C-N 3.29Å; F85-M87 PolarHBondContact O-N 3.48Å; F85-Y88 PolarHBondContact O-N 3.2Å; F85-M89 HydrophobicContact CD1-CG 4.41Å; F85-M89 HydrophobicContact CE1-CE 4.4Å; F85-M89 HydrophobicContact CE1-CG 3.99Å; F85-M89 HydrophobicContact CE2-CE 3.54Å; F85-M89 HydrophobicContact CE2-CG 4.11Å; F85-M89 HydrophobicContact CZ-CE 3.41Å; F85-M89 VanDerWaalsContact CZ-CE 3.41Å; F85-M89 HydrophobicContact CZ-CG 3.84Å; F85-M89 HydrophobicContact CZ-SD 4.49Å; F85-M89 PolarHBondContact O-N 3.43Å |
| 86 | I | 76 | Confident | 72.7 | Confident | 87 Ų | 87 | 85.5 Ų | 85.5 | 45% | 0.446 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 176.1 | -66.3 | 166.2 | 0 | 0 | 0 | 110.1 | M82 N83 A90 | M82-I86 HydrophobicContact CG-CD1 4.22Å; M82-I86 WeakPolarHBondContact O-CG1 3.45Å; M82-I86 PolarHBondContact O-N 2.91Å; M82-I86 VanDerWaalsContact O-N 3.13Å; M82-I86 HydrophobicContact SD-CD1 4.42Å; N83-I86 PolarHBondContact O-N 3.07Å; I86-A90 WeakPolarHBondContact O-CB 3.22Å; I86-A90 PolarHBondContact O-N 2.77Å |
| 87 | M | 68.6 | Low | 71.9 | Confident | 34 Ų | 34 | 93.2 Ų | 93.2 | 17% | 0.167 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 175.9 | -69.8 | 175.5 | -169.3 | 0 | 0 | 113.4 | N83 L84 F85 G91 V102 K150 | N83-M87 VanDerWaalsContact O-CG 3.26Å; N83-M87 WeakPolarHBondContact O-CG 3.49Å; N83-M87 PolarHBondContact O-N 2.93Å; N83-M87 VanDerWaalsContact O-N 3.1Å; L84-M87 PolarHBondContact O-N 3.13Å; F85-M87 VanDerWaalsContact C-N 3.29Å; F85-M87 PolarHBondContact O-N 3.48Å; M87-G91 PolarHBondContact O-N 3.1Å; M87-V102 HydrophobicContact CE-CB 3.88Å; M87-V102 HydrophobicContact CE-CG1 3.04Å; M87-V102 HydrophobicContact CE-CG2 3.92Å; M87-K150 HydrophobicContact CE-CG 4.29Å; M87-K150 HydrophobicContact SD-CB 4.43Å; M87-K150 HydrophobicContact SD-CD 3.87Å; M87-K150 HydrophobicContact SD-CG 3.66Å |
| 88 | Y | 74 | Confident | 71.2 | Confident | 181 Ų | 181 | 92.3 Ų | 92.3 | 71% | 0.71 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.5 | -45.4 | 178.6 | 177 | -100.5 | 0 | 0 | 0 | 110.9 | L84 F85 G91 | L84-Y88 WeakPolarHBondContact O-CB 3.25Å; L84-Y88 PolarHBondContact O-N 3.08Å; F85-Y88 PolarHBondContact O-N 3.2Å; Y88-G91 PolarHBondContact O-N 3.38Å |
| 89 | M | 72.1 | Confident | 70.5 | Confident | 126 Ų | 126 | 87.6 Ų | 87.6 | 62% | 0.621 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -71.9 | -36.1 | 178.6 | -70.7 | -63.6 | -169.1 | 0 | 0 | 113.1 | F85 G91 | F85-M89 HydrophobicContact CD1-CG 4.41Å; F85-M89 HydrophobicContact CE1-CE 4.4Å; F85-M89 HydrophobicContact CE1-CG 3.99Å; F85-M89 HydrophobicContact CE2-CE 3.54Å; F85-M89 HydrophobicContact CE2-CG 4.11Å; F85-M89 HydrophobicContact CZ-CE 3.41Å; F85-M89 VanDerWaalsContact CZ-CE 3.41Å; F85-M89 HydrophobicContact CZ-CG 3.84Å; F85-M89 HydrophobicContact CZ-SD 4.49Å; F85-M89 PolarHBondContact O-N 3.43Å; M89-G91 PolarHBondContact O-N 3.39Å |
| 90 | A | 65.5 | Low | 70.1 | Confident | 40 Ų | 40 | 87.3 Ų | 87.3 | 33% | 0.331 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.6 | -16.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I86 T93 | I86-A90 WeakPolarHBondContact O-CB 3.22Å; I86-A90 PolarHBondContact O-N 2.77Å; A90-T93 PolarHBondContact O-OG1 3.46Å |
| 91 | G | 60.5 | Low | 69.7 | Low | 43 Ų | 43 | 93.5 Ų | 93.5 | 44% | 0.443 | 49% | 0.493 | S | S | . | . | trans | 64.3 | -178 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | M87 Y88 M89 | M87-G91 PolarHBondContact O-N 3.1Å; Y88-G91 PolarHBondContact O-N 3.38Å; M89-G91 PolarHBondContact O-N 3.39Å | ||
| 92 | N | 58.8 | Low | 69.1 | Low | 130 Ų | 130 | 90.6 Ų | 90.6 | 70% | 0.695 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -84.4 | 9 | 167.4 | -168.9 | 46.2 | 0 | 0 | 0 | 112.1 | I94 | N92-I94 WeakPolarHBondContact O-CG1 3.05Å; N92-I94 PolarHBondContact O-N 2.83Å |
| 93 | T | 55.3 | Low | 68.6 | Low | 108 Ų | 108 | 85.9 Ų | 85.9 | 66% | 0.663 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -64.6 | 97.1 | 163.1 | 41.8 | 0 | 0 | 0 | 0 | 105.9 | A90 S95 | A90-T93 PolarHBondContact O-OG1 3.46Å; T93-S95 PolarHBondContact O-N 3.37Å |
| 94 | I | 56.2 | Low | 68.2 | Low | 112 Ų | 112 | 91 Ų | 91 | 57% | 0.574 | 48% | 0.476 | S | S | * | . | trans | -58.6 | 79.3 | -169.5 | -49.8 | 173.6 | 0 | 0 | 0 | 109.8 | N92 I96 | N92-I94 WeakPolarHBondContact O-CG1 3.05Å; N92-I94 PolarHBondContact O-N 2.83Å; I94-I96 HydrophobicContact CB-CD1 4.27Å; I94-I96 HydrophobicContact CG2-CD1 3.31Å; I94-I96 HydrophobicContact CG2-CG1 3.55Å; I94-I96 PolarHBondContact O-N 3.4Å; I94-I96 VanDerWaalsContact O-N 3.11Å | ||
| 95 | S | 56.4 | Low | 67.9 | Low | 66 Ų | 66 | 89.7 Ų | 89.7 | 46% | 0.462 | 47% | 0.469 | S | S | . | . | trans | -78 | 90.7 | 154.6 | -68.8 | 0 | 0 | 0 | 0 | 104.1 | T93 F97 P98 T99 | T93-S95 PolarHBondContact O-N 3.37Å; S95-F97 PolarHBondContact O-N 3.37Å; S95-P98 WeakPolarHBondContact O-CD 3.32Å; S95-T99 PolarHBondContact O-OG1 3.27Å | ||
| 96 | I | 63.7 | Low | 67.5 | Low | 99 Ų | 99 | 84.5 Ų | 84.5 | 51% | 0.508 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -48.2 | -29.2 | 169.6 | -72.9 | 99.5 | 0 | 0 | 0 | 110.3 | I94 T99 M100 | I94-I96 HydrophobicContact CB-CD1 4.27Å; I94-I96 HydrophobicContact CG2-CD1 3.31Å; I94-I96 HydrophobicContact CG2-CG1 3.55Å; I94-I96 PolarHBondContact O-N 3.4Å; I94-I96 VanDerWaalsContact O-N 3.11Å; I96-T99 WeakPolarHBondContact O-CB 3.45Å; I96-T99 PolarHBondContact O-N 2.88Å; I96-M100 HydrophobicContact CG2-CG 4.06Å; I96-M100 WeakPolarHBondContact O-CG 3.49Å; I96-M100 PolarHBondContact O-N 3.45Å; I96-M100 VanDerWaalsContact O-N 3.08Å |
| 97 | F | 63.8 | Low | 67.6 | Low | 183 Ų | 183 | 88.7 Ų | 88.7 | 80% | 0.803 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.7 | -59.7 | -176.5 | -174.9 | -96.6 | 0 | 0 | 0 | 114.4 | S95 T99 | S95-F97 PolarHBondContact O-N 3.37Å; F97-T99 VanDerWaalsContact C-N 3.33Å; F97-T99 PolarHBondContact O-N 3.42Å |
| 98 | P | 65.1 | Low | 68.1 | Low | 50 Ų | 50 | 94.7 Ų | 94.7 | 33% | 0.325 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.7 | -36.4 | 173.1 | -25.8 | 35.9 | 0 | 0 | 0 | 113.7 | S95 M100 M101 V102 | S95-P98 WeakPolarHBondContact O-CD 3.32Å; P98-M100 PolarHBondContact O-N 3.04Å; P98-M101 WeakPolarHBondContact O-CB 3.38Å; P98-M101 PolarHBondContact O-N 2.81Å; P98-V102 WeakPolarHBondContact O-CG2 3.19Å; P98-V102 PolarHBondContact O-N 2.88Å; P98-V102 VanDerWaalsContact O-N 3.09Å |
| 99 | T | 69.6 | Low | 68.4 | Low | 24 Ų | 24 | 86.8 Ų | 86.8 | 15% | 0.147 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -52.3 | -51.2 | 179.6 | -75.9 | 0 | 0 | 0 | 0 | 113.4 | S95 I96 F97 M101 V102 C103 M154 L156 | S95-T99 PolarHBondContact O-OG1 3.27Å; I96-T99 WeakPolarHBondContact O-CB 3.45Å; I96-T99 PolarHBondContact O-N 2.88Å; F97-T99 VanDerWaalsContact C-N 3.33Å; F97-T99 PolarHBondContact O-N 3.42Å; T99-M101 VanDerWaalsContact C-N 3.31Å; T99-M101 PolarHBondContact O-N 2.88Å; T99-V102 PolarHBondContact O-N 3.42Å; T99-V102 VanDerWaalsContact O-N 3.12Å; T99-C103 PolarHBondContact O-N 2.93Å; T99-M154 WeakPolarHBondContact CB-SD 3.37Å; T99-M154 HydrophobicContact CG2-CB 4.27Å; T99-M154 HydrophobicContact CG2-CE 3.23Å; T99-M154 HydrophobicContact CG2-CG 4.22Å; T99-M154 HydrophobicContact CG2-SD 3.09Å; T99-M154 WeakPolarHBondContact CG2-SD 3.28Å; T99-M154 PolarHBondContact OG1-SD 3.47Å; T99-L156 HydrophobicContact CG2-CD1 3.94Å |
| 100 | M | 72.7 | Confident | 69.1 | Low | 92 Ų | 92 | 83.4 Ų | 83.4 | 45% | 0.453 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | -178.4 | -73.8 | -63.8 | -65 | 0 | 0 | 112 | I96 P98 V102 C103 M104 L156 | I96-M100 HydrophobicContact CG2-CG 4.06Å; I96-M100 WeakPolarHBondContact O-CG 3.49Å; I96-M100 PolarHBondContact O-N 3.45Å; I96-M100 VanDerWaalsContact O-N 3.08Å; P98-M100 PolarHBondContact O-N 3.04Å; M100-V102 VanDerWaalsContact C-N 3.27Å; M100-V102 PolarHBondContact O-N 3.02Å; M100-C103 PolarHBondContact O-N 3.42Å; M100-C103 VanDerWaalsContact O-N 3.16Å; M100-M104 PolarHBondContact O-N 3.46Å; M100-L156 HydrophobicContact SD-CD1 3.64Å |
| 101 | M | 75.4 | Confident | 69.9 | Low | 147 Ų | 147 | 86.2 Ų | 86.2 | 72% | 0.724 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.9 | -39.7 | 174.7 | -174.3 | -179 | -178.6 | 0 | 0 | 111.1 | P98 T99 M104 M105 | P98-M101 WeakPolarHBondContact O-CB 3.38Å; P98-M101 PolarHBondContact O-N 2.81Å; T99-M101 VanDerWaalsContact C-N 3.31Å; T99-M101 PolarHBondContact O-N 2.88Å; M101-M104 PolarHBondContact O-N 3.2Å; M101-M105 WeakPolarHBondContact O-CB 3.3Å; M101-M105 PolarHBondContact O-N 3.42Å |
| 102 | V | 72.2 | Confident | 71 | Confident | 22 Ų | 22 | 85.2 Ų | 85.2 | 13% | 0.133 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -68.9 | -39.1 | 174.6 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | M87 P98 T99 M100 M104 M105 A106 | M87-V102 HydrophobicContact CE-CB 3.88Å; M87-V102 HydrophobicContact CE-CG1 3.04Å; M87-V102 HydrophobicContact CE-CG2 3.92Å; P98-V102 WeakPolarHBondContact O-CG2 3.19Å; P98-V102 PolarHBondContact O-N 2.88Å; P98-V102 VanDerWaalsContact O-N 3.09Å; T99-V102 PolarHBondContact O-N 3.42Å; T99-V102 VanDerWaalsContact O-N 3.12Å; M100-V102 VanDerWaalsContact C-N 3.27Å; M100-V102 PolarHBondContact O-N 3.02Å; V102-M104 VanDerWaalsContact C-N 3.31Å; V102-M104 PolarHBondContact O-N 3.29Å; V102-M105 CarbonylContact O-C 3.49Å; V102-M105 WeakPolarHBondContact O-CA 3.27Å; V102-M105 WeakPolarHBondContact O-CB 3.41Å; V102-M105 PolarHBondContact O-N 2.79Å; V102-M105 VanDerWaalsContact O-N 3.1Å; V102-A106 WeakPolarHBondContact O-CB 3.48Å; V102-A106 PolarHBondContact O-N 3.23Å |
| 103 | C | 72.7 | Confident | 72.1 | Confident | 19 Ų | 19 | 80.8 Ų | 80.8 | 13% | 0.128 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.1 | -37.1 | 175.5 | -67.3 | 0 | 0 | 0 | 0 | 111.8 | T99 M100 A106 W107 C151 | T99-C103 PolarHBondContact O-N 2.93Å; M100-C103 PolarHBondContact O-N 3.42Å; M100-C103 VanDerWaalsContact O-N 3.16Å; C103-A106 VanDerWaalsContact O-CB 3.32Å; C103-A106 WeakPolarHBondContact O-CB 3.26Å; C103-A106 PolarHBondContact O-N 3.11Å; C103-W107 PolarHBondContact O-N 2.99Å; C103-C151 WeakPolarHBondContact CB-SG 3.47Å; C103-C151 WeakPolarHBondContact SG-CB 3.44Å; C103-C151 CovalentContact SG-SG 2.08Å; C103-C151 PolarHBondContact SG-SG 3.05Å |
| 104 | M | 73.5 | Confident | 73.5 | Confident | 142 Ų | 142 | 82.1 Ų | 82.1 | 70% | 0.7 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -69.9 | -36.3 | 171 | -68.3 | -168.6 | 83.1 | 0 | 0 | 112.8 | M100 M101 V102 A106 W107 | M100-M104 PolarHBondContact O-N 3.46Å; M101-M104 PolarHBondContact O-N 3.2Å; V102-M104 VanDerWaalsContact C-N 3.31Å; V102-M104 PolarHBondContact O-N 3.29Å; M104-A106 PolarHBondContact O-N 3Å; M104-W107 WeakPolarHBondContact O-CB 3.23Å; M104-W107 PolarHBondContact O-N 3.34Å; M104-W107 VanDerWaalsContact O-N 3.08Å |
| 105 | M | 72.1 | Confident | 74.8 | Confident | 58 Ų | 58 | 78.8 Ų | 78.8 | 29% | 0.286 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.8 | -32.4 | 174.2 | -171.1 | 178.2 | 179.8 | 0 | 0 | 111.5 | Q79 N83 M101 V102 W107 R108 P109 | Q79-M105 HydrophobicContact CB-CE 4.09Å; Q79-M105 HydrophobicContact CG-CE 4.23Å; N83-M105 WeakPolarHBondContact ND2-CE 3.47Å; N83-M105 PolarHBondContact ND2-SD 2.94Å; N83-M105 WeakPolarHBondContact OD1-CE 3.33Å; N83-M105 PolarHBondContact OD1-SD 3.17Å; M101-M105 WeakPolarHBondContact O-CB 3.3Å; M101-M105 PolarHBondContact O-N 3.42Å; V102-M105 CarbonylContact O-C 3.49Å; V102-M105 WeakPolarHBondContact O-CA 3.27Å; V102-M105 WeakPolarHBondContact O-CB 3.41Å; V102-M105 PolarHBondContact O-N 2.79Å; V102-M105 VanDerWaalsContact O-N 3.1Å; M105-W107 VanDerWaalsContact C-N 3.27Å; M105-W107 PolarHBondContact O-N 3.36Å; M105-R108 VanDerWaalsContact O-CB 3.22Å; M105-R108 WeakPolarHBondContact O-CB 3.25Å; M105-R108 PolarHBondContact O-N 3.43Å; M105-R108 VanDerWaalsContact O-N 3.13Å; M105-P109 WeakPolarHBondContact O-CD 3.11Å |
| 106 | A | 73.3 | Confident | 75.8 | Confident | 11 Ų | 11 | 77.3 Ų | 77.3 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.4 | -24.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V102 C103 M104 R108 P109 A147 | V102-A106 WeakPolarHBondContact O-CB 3.48Å; V102-A106 PolarHBondContact O-N 3.23Å; C103-A106 VanDerWaalsContact O-CB 3.32Å; C103-A106 WeakPolarHBondContact O-CB 3.26Å; C103-A106 PolarHBondContact O-N 3.11Å; M104-A106 PolarHBondContact O-N 3Å; A106-R108 PolarHBondContact O-N 3.34Å; A106-P109 VanDerWaalsContact C-CD 3.48Å; A106-P109 WeakPolarHBondContact O-CD 3.22Å; A106-P109 WeakPolarHBondContact O-CG 3.5Å; A106-A147 HydrophobicContact CB-CB 3.08Å |
| 107 | W | 78.8 | Confident | 76.6 | Confident | 175 Ų | 175 | 76.4 Ų | 76.4 | 66% | 0.663 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -69.1 | -22.9 | 170.6 | -133.5 | -78.4 | 0 | 0 | 0 | 112.2 | C103 M104 M105 I110 Q111 | C103-W107 PolarHBondContact O-N 2.99Å; M104-W107 WeakPolarHBondContact O-CB 3.23Å; M104-W107 PolarHBondContact O-N 3.34Å; M104-W107 VanDerWaalsContact O-N 3.08Å; M105-W107 VanDerWaalsContact C-N 3.27Å; M105-W107 PolarHBondContact O-N 3.36Å; W107-I110 HydrophobicContact CD2-CD1 4.32Å; W107-I110 HydrophobicContact CG-CD1 4.39Å; W107-I110 WeakPolarHBondContact O-CB 3.12Å; W107-I110 PolarHBondContact O-N 3.5Å; W107-Q111 PolarHBondContact O-N 2.87Å |
| 108 | R | 79.1 | Confident | 77.4 | Confident | 160 Ų | 160 | 70.5 Ų | 70.5 | 60% | 0.604 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.3 | -48.2 | 176.6 | -63.1 | -71.6 | 173.5 | 173.9 | 2.3 | 113.2 | M105 A106 I110 Q111 A112 | M105-R108 VanDerWaalsContact O-CB 3.22Å; M105-R108 WeakPolarHBondContact O-CB 3.25Å; M105-R108 PolarHBondContact O-N 3.43Å; M105-R108 VanDerWaalsContact O-N 3.13Å; A106-R108 PolarHBondContact O-N 3.34Å; R108-I110 PolarHBondContact O-N 2.85Å; R108-Q111 VanDerWaalsContact NH1-OE1 3.08Å; R108-Q111 CarbonylContact O-C 3.58Å; R108-Q111 WeakPolarHBondContact O-CB 3.31Å; R108-Q111 PolarHBondContact O-N 3.24Å; R108-Q111 VanDerWaalsContact O-N 3.14Å; R108-A112 VanDerWaalsContact O-CB 3.25Å; R108-A112 WeakPolarHBondContact O-CB 3.31Å; R108-A112 PolarHBondContact O-N 3.48Å |
| 109 | P | 80.7 | Confident | 77.9 | Confident | 15 Ų | 15 | 69.1 Ų | 69.1 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.9 | -32.6 | 173.2 | 19.3 | -29.2 | 0 | 0 | 0 | 112.2 | M105 A106 A112 L113 N140 L144 | M105-P109 WeakPolarHBondContact O-CD 3.11Å; A106-P109 VanDerWaalsContact C-CD 3.48Å; A106-P109 WeakPolarHBondContact O-CD 3.22Å; A106-P109 WeakPolarHBondContact O-CG 3.5Å; P109-A112 WeakPolarHBondContact O-CB 3.4Å; P109-A112 PolarHBondContact O-N 3.27Å; P109-L113 WeakPolarHBondContact O-CB 3.43Å; P109-L113 WeakPolarHBondContact O-CG 3.2Å; P109-L113 PolarHBondContact O-N 3.41Å; P109-N140 VanDerWaalsContact CA-OD1 3.3Å; P109-N140 WeakPolarHBondContact CA-OD1 3.3Å; P109-N140 HydrophobicContact CB-CB 3.99Å; P109-N140 VanDerWaalsContact CB-OD1 3.31Å; P109-N140 WeakPolarHBondContact CB-OD1 3.29Å; P109-L144 HydrophobicContact CG-CB 4.47Å |
| 110 | I | 84.9 | Confident | 78.3 | Confident | 55 Ų | 55 | 72.3 Ų | 72.3 | 28% | 0.282 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 172.1 | -54.4 | 176.3 | 0 | 0 | 0 | 110.5 | W107 R108 A112 L113 M114 L144 | W107-I110 HydrophobicContact CD2-CD1 4.32Å; W107-I110 HydrophobicContact CG-CD1 4.39Å; W107-I110 WeakPolarHBondContact O-CB 3.12Å; W107-I110 PolarHBondContact O-N 3.5Å; R108-I110 PolarHBondContact O-N 2.85Å; I110-A112 VanDerWaalsContact C-N 3.29Å; I110-A112 PolarHBondContact O-N 3.14Å; I110-L113 PolarHBondContact O-N 3.29Å; I110-M114 HydrophobicContact CG2-CE 4.5Å; I110-M114 PolarHBondContact O-N 2.82Å; I110-L144 HydrophobicContact CD1-CD1 3.66Å; I110-L144 HydrophobicContact CG1-CD1 3.4Å; I110-L144 HydrophobicContact CG1-CD2 4.09Å; I110-L144 HydrophobicContact CG1-CG 4.36Å |
| 111 | Q | 83.4 | Confident | 78.6 | Confident | 100 Ų | 100 | 75.3 Ų | 75.3 | 47% | 0.467 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 175.5 | -170.8 | -178.6 | 16.6 | 0 | 0 | 111.9 | W107 R108 M114 A115 | W107-Q111 PolarHBondContact O-N 2.87Å; R108-Q111 VanDerWaalsContact NH1-OE1 3.08Å; R108-Q111 CarbonylContact O-C 3.58Å; R108-Q111 WeakPolarHBondContact O-CB 3.31Å; R108-Q111 PolarHBondContact O-N 3.24Å; R108-Q111 VanDerWaalsContact O-N 3.14Å; Q111-M114 HydrophobicContact CB-CE 4.47Å; Q111-M114 PolarHBondContact O-N 3.44Å; Q111-A115 PolarHBondContact O-N 3.02Å |
| 112 | A | 83.2 | Confident | 78.3 | Confident | 21 Ų | 21 | 72.9 Ų | 72.9 | 17% | 0.174 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.7 | -34.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R108 P109 I110 A115 I116 Y136 N140 | R108-A112 VanDerWaalsContact O-CB 3.25Å; R108-A112 WeakPolarHBondContact O-CB 3.31Å; R108-A112 PolarHBondContact O-N 3.48Å; P109-A112 WeakPolarHBondContact O-CB 3.4Å; P109-A112 PolarHBondContact O-N 3.27Å; I110-A112 VanDerWaalsContact C-N 3.29Å; I110-A112 PolarHBondContact O-N 3.14Å; A112-A115 CarbonylContact O-C 3.58Å; A112-A115 PolarHBondContact O-N 2.96Å; A112-I116 PolarHBondContact O-N 3.22Å; A112-Y136 VanDerWaalsContact CB-OH 3.28Å; A112-Y136 WeakPolarHBondContact CB-OH 3.26Å; A112-Y136 PolarHBondContact O-OH 2.79Å; A112-N140 WeakPolarHBondContact CB-OD1 3.39Å |
| 113 | L | 82.3 | Confident | 78.1 | Confident | 37 Ų | 37 | 72 Ų | 72 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68 | -40.2 | 171.3 | -71.3 | 172 | 0 | 0 | 0 | 111.5 | P109 I110 A115 I116 L137 N140 L141 L144 | P109-L113 WeakPolarHBondContact O-CB 3.43Å; P109-L113 WeakPolarHBondContact O-CG 3.2Å; P109-L113 PolarHBondContact O-N 3.41Å; I110-L113 PolarHBondContact O-N 3.29Å; L113-A115 VanDerWaalsContact C-N 3.27Å; L113-A115 PolarHBondContact O-N 2.82Å; L113-I116 VanDerWaalsContact O-CB 3.26Å; L113-I116 WeakPolarHBondContact O-CB 3.28Å; L113-I116 WeakPolarHBondContact O-CG2 3.35Å; L113-I116 PolarHBondContact O-N 3Å; L113-L137 HydrophobicContact CD2-CD1 3.55Å; L113-N140 HydrophobicContact CD1-CB 4.36Å; L113-N140 HydrophobicContact CD2-CB 3.71Å; L113-N140 HydrophobicContact CG-CB 3.85Å; L113-L141 HydrophobicContact CD1-CD2 4.12Å; L113-L144 HydrophobicContact CD1-CD2 4.16Å |
| 114 | M | 85.3 | Confident | 77.8 | Confident | 136 Ų | 136 | 78 Ų | 78 | 67% | 0.67 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.5 | -33.1 | 173.8 | -68.2 | -170.6 | -70.7 | 0 | 0 | 112.3 | I110 Q111 I116 | I110-M114 HydrophobicContact CG2-CE 4.5Å; I110-M114 PolarHBondContact O-N 2.82Å; Q111-M114 HydrophobicContact CB-CE 4.47Å; Q111-M114 PolarHBondContact O-N 3.44Å; M114-I116 VanDerWaalsContact C-N 3.31Å; M114-I116 PolarHBondContact O-N 3.3Å |
| 115 | A | 82.1 | Confident | 77.3 | Confident | 43 Ų | 43 | 74 Ų | 74 | 36% | 0.355 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 13.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q111 A112 L113 S117 A118 T119 | Q111-A115 PolarHBondContact O-N 3.02Å; A112-A115 CarbonylContact O-C 3.58Å; A112-A115 PolarHBondContact O-N 2.96Å; L113-A115 VanDerWaalsContact C-N 3.27Å; L113-A115 PolarHBondContact O-N 2.82Å; A115-S117 PolarHBondContact O-N 3.41Å; A115-A118 WeakPolarHBondContact O-CB 3.46Å; A115-A118 PolarHBondContact O-N 3.23Å; A115-A118 VanDerWaalsContact O-N 3.11Å; A115-T119 PolarHBondContact O-N 3.06Å; A115-T119 VanDerWaalsContact O-N 3.16Å; A115-T119 PolarHBondContact O-OG1 2.92Å |
| 116 | I | 78.7 | Confident | 77 | Confident | 35 Ų | 35 | 71.8 Ų | 71.8 | 18% | 0.179 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.4 | -31.3 | -176.1 | -158.6 | 165.7 | 0 | 0 | 0 | 112.2 | A112 L113 M114 A118 T119 F120 Y136 L137 | A112-I116 PolarHBondContact O-N 3.22Å; L113-I116 VanDerWaalsContact O-CB 3.26Å; L113-I116 WeakPolarHBondContact O-CB 3.28Å; L113-I116 WeakPolarHBondContact O-CG2 3.35Å; L113-I116 PolarHBondContact O-N 3Å; M114-I116 VanDerWaalsContact C-N 3.31Å; M114-I116 PolarHBondContact O-N 3.3Å; I116-A118 VanDerWaalsContact C-N 3.34Å; I116-A118 PolarHBondContact O-N 3.43Å; I116-T119 CarbonylContact O-C 3.51Å; I116-T119 WeakPolarHBondContact O-CB 3.32Å; I116-T119 PolarHBondContact O-N 2.99Å; I116-T119 VanDerWaalsContact O-N 3.17Å; I116-F120 HydrophobicContact CB-CD2 4.49Å; I116-F120 HydrophobicContact CB-CE2 4.44Å; I116-F120 HydrophobicContact CD1-CE2 3.78Å; I116-F120 HydrophobicContact CD1-CZ 4.25Å; I116-F120 HydrophobicContact CG1-CD2 3.81Å; I116-F120 HydrophobicContact CG1-CE2 3.52Å; I116-F120 HydrophobicContact CG1-CZ 4.28Å; I116-F120 HydrophobicContact CG2-CD2 4.37Å; I116-F120 HydrophobicContact CG2-CE2 4.27Å; I116-F120 WeakPolarHBondContact O-CD2 3.43Å; I116-F120 PolarHBondContact O-N 3.26Å; I116-Y136 HydrophobicContact CB-CE1 4.4Å; I116-Y136 HydrophobicContact CD1-CD1 3.94Å; I116-Y136 HydrophobicContact CD1-CE1 4.14Å; I116-Y136 HydrophobicContact CG1-CD1 3.96Å; I116-Y136 HydrophobicContact CG1-CE1 3.84Å; I116-L137 HydrophobicContact CD1-CB 4.37Å; I116-L137 HydrophobicContact CD1-CD1 4.05Å |
| 117 | S | 80.9 | Confident | 76.6 | Confident | 79 Ų | 79 | 76 Ų | 76 | 55% | 0.552 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.5 | -41.9 | 174.7 | 55.2 | 0 | 0 | 0 | 0 | 112.1 | A115 T119 F120 K121 | A115-S117 PolarHBondContact O-N 3.41Å; S117-T119 VanDerWaalsContact C-N 3.34Å; S117-F120 PolarHBondContact O-N 3.42Å; S117-K121 WeakPolarHBondContact O-CG 3.2Å; S117-K121 PolarHBondContact O-N 2.88Å |
| 118 | A | 79.7 | Confident | 76.1 | Confident | 59 Ų | 59 | 71.6 Ų | 71.6 | 49% | 0.488 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A115 I116 K121 M122 | A115-A118 WeakPolarHBondContact O-CB 3.46Å; A115-A118 PolarHBondContact O-N 3.23Å; A115-A118 VanDerWaalsContact O-N 3.11Å; I116-A118 VanDerWaalsContact C-N 3.34Å; I116-A118 PolarHBondContact O-N 3.43Å; A118-K121 PolarHBondContact O-N 2.78Å; A118-M122 PolarHBondContact O-N 3.45Å |
| 119 | T | 75.3 | Confident | 75.8 | Confident | 21 Ų | 21 | 70.2 Ų | 70.2 | 13% | 0.129 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 175.3 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | I72 A115 I116 S117 K121 M122 L123 Y136 | I72-T119 HydrophobicContact CG2-CG2 4.29Å; A115-T119 PolarHBondContact O-N 3.06Å; A115-T119 VanDerWaalsContact O-N 3.16Å; A115-T119 PolarHBondContact O-OG1 2.92Å; I116-T119 CarbonylContact O-C 3.51Å; I116-T119 WeakPolarHBondContact O-CB 3.32Å; I116-T119 PolarHBondContact O-N 2.99Å; I116-T119 VanDerWaalsContact O-N 3.17Å; S117-T119 VanDerWaalsContact C-N 3.34Å; T119-K121 VanDerWaalsContact C-N 3.34Å; T119-K121 PolarHBondContact O-N 3.32Å; T119-M122 WeakPolarHBondContact O-CB 3.33Å; T119-M122 PolarHBondContact O-N 2.91Å; T119-M122 VanDerWaalsContact O-N 3.12Å; T119-L123 HydrophobicContact CG2-CD1 4.07Å; T119-L123 WeakPolarHBondContact O-CD1 3.31Å; T119-L123 PolarHBondContact O-N 3.29Å; T119-Y136 HydrophobicContact CG2-CD1 4.44Å; T119-Y136 HydrophobicContact CG2-CE1 4.32Å; T119-Y136 HydrophobicContact CG2-CE2 4.38Å |
| 120 | F | 78.3 | Confident | 75.6 | Confident | 92 Ų | 92 | 77 Ų | 77 | 40% | 0.404 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 175 | -82.1 | -58.6 | 0 | 0 | 0 | 112.9 | I116 S117 M122 L123 E124 | I116-F120 HydrophobicContact CB-CD2 4.49Å; I116-F120 HydrophobicContact CB-CE2 4.44Å; I116-F120 HydrophobicContact CD1-CE2 3.78Å; I116-F120 HydrophobicContact CD1-CZ 4.25Å; I116-F120 HydrophobicContact CG1-CD2 3.81Å; I116-F120 HydrophobicContact CG1-CE2 3.52Å; I116-F120 HydrophobicContact CG1-CZ 4.28Å; I116-F120 HydrophobicContact CG2-CD2 4.37Å; I116-F120 HydrophobicContact CG2-CE2 4.27Å; I116-F120 WeakPolarHBondContact O-CD2 3.43Å; I116-F120 PolarHBondContact O-N 3.26Å; S117-F120 PolarHBondContact O-N 3.42Å; F120-M122 VanDerWaalsContact C-N 3.34Å; F120-L123 CarbonylContact O-C 3.55Å; F120-L123 PolarHBondContact O-N 2.87Å; F120-E124 PolarHBondContact O-N 3.5Å |
| 121 | K | 78.2 | Confident | 75.4 | Confident | 155 Ų | 155 | 78.2 Ų | 78.2 | 67% | 0.674 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.8 | -38 | 173.4 | -68.6 | -177.1 | 82.3 | 173 | 0 | 112 | S117 A118 T119 L123 E124 | S117-K121 WeakPolarHBondContact O-CG 3.2Å; S117-K121 PolarHBondContact O-N 2.88Å; A118-K121 PolarHBondContact O-N 2.78Å; T119-K121 VanDerWaalsContact C-N 3.34Å; T119-K121 PolarHBondContact O-N 3.32Å; K121-L123 VanDerWaalsContact C-N 3.3Å; K121-E124 VanDerWaalsContact O-CB 3.28Å; K121-E124 WeakPolarHBondContact O-CB 3.49Å; K121-E124 PolarHBondContact O-N 2.94Å |
| 122 | M | 68.9 | Low | 75.2 | Confident | 96 Ų | 96 | 73.4 Ų | 73.4 | 47% | 0.473 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.2 | -33.9 | 174.7 | -167.9 | 178.3 | 177.1 | 0 | 0 | 112.1 | I72 A118 T119 F120 E124 | I72-M122 HydrophobicContact CD1-CE 3.69Å; I72-M122 HydrophobicContact CD1-SD 3.83Å; A118-M122 PolarHBondContact O-N 3.45Å; T119-M122 WeakPolarHBondContact O-CB 3.33Å; T119-M122 PolarHBondContact O-N 2.91Å; T119-M122 VanDerWaalsContact O-N 3.12Å; F120-M122 VanDerWaalsContact C-N 3.34Å; M122-E124 VanDerWaalsContact C-N 3.34Å |
| 123 | L | 69.4 | Low | 75.1 | Confident | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.016 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -79.1 | -12.1 | 176.4 | -93.6 | 58.5 | 0 | 0 | 0 | 113.8 | C69 T119 F120 K121 S125 S126 Q132 | C69-L123 HydrophobicContact CB-CD1 4.11Å; C69-L123 HydrophobicContact CB-CG 4.19Å; T119-L123 HydrophobicContact CG2-CD1 4.07Å; T119-L123 WeakPolarHBondContact O-CD1 3.31Å; T119-L123 PolarHBondContact O-N 3.29Å; F120-L123 CarbonylContact O-C 3.55Å; F120-L123 PolarHBondContact O-N 2.87Å; K121-L123 VanDerWaalsContact C-N 3.3Å; L123-S125 PolarHBondContact O-N 3.44Å; L123-S125 VanDerWaalsContact O-N 3.07Å; L123-S126 PolarHBondContact O-N 2.92Å; L123-Q132 HydrophobicContact CD2-CB 3.5Å; L123-Q132 HydrophobicContact CG-CB 4.28Å |
| 124 | E | 65.9 | Low | 75.3 | Confident | 146 Ų | 146 | 74.5 Ų | 74.5 | 68% | 0.682 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -24.1 | -177.3 | -167.4 | 175.3 | 160.4 | 0 | 0 | 112.9 | F120 K121 M122 S126 | F120-E124 PolarHBondContact O-N 3.5Å; K121-E124 VanDerWaalsContact O-CB 3.28Å; K121-E124 WeakPolarHBondContact O-CB 3.49Å; K121-E124 PolarHBondContact O-N 2.94Å; M122-E124 VanDerWaalsContact C-N 3.34Å; E124-S126 VanDerWaalsContact C-N 3.29Å; E124-S126 PolarHBondContact O-N 2.83Å |
| 125 | S | 63.6 | Low | 75.3 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -18.6 | 175.4 | -177.1 | 0 | 0 | 0 | 0 | 113.6 | R62 L123 | R62-S125 PolarHBondContact NH2-O 3.46Å; L123-S125 PolarHBondContact O-N 3.44Å; L123-S125 VanDerWaalsContact O-N 3.07Å |
| 126 | S | 65.4 | Low | 75.5 | Confident | 11 Ų | 11 | 68.7 Ų | 68.7 | 8% | 0.077 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -98 | 142.6 | -177.3 | -166.4 | 0 | 0 | 0 | 0 | 112.8 | L123 E124 Q128 Q132 | L123-S126 PolarHBondContact O-N 2.92Å; E124-S126 VanDerWaalsContact C-N 3.29Å; E124-S126 PolarHBondContact O-N 2.83Å; S126-Q128 VanDerWaalsContact C-N 3.29Å; S126-Q128 PolarHBondContact O-N 3.16Å; S126-Q132 PolarHBondContact OG-NE2 3.25Å |
| 127 | S | 65 | Low | 75.8 | Confident | 100 Ų | 100 | 70.1 Ų | 70.1 | 70% | 0.699 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -27.2 | 177.8 | 53.6 | 0 | 0 | 0 | 0 | 113 | K129 | S127-K129 PolarHBondContact O-N 3.16Š|
| 128 | Q | 68 | Low | 76.2 | Confident | 81 Ų | 81 | 70.3 Ų | 70.3 | 38% | 0.379 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 37.1 | -177 | -61.7 | -161.7 | -7.4 | 0 | 0 | 113.9 | S126 F130 L131 Q132 | S126-Q128 VanDerWaalsContact C-N 3.29Å; S126-Q128 PolarHBondContact O-N 3.16Å; Q128-F130 PolarHBondContact O-N 2.85Å; Q128-F130 VanDerWaalsContact O-N 3.13Å; Q128-L131 PolarHBondContact O-N 3.28Å; Q128-Q132 WeakPolarHBondContact O-CG 3.48Å; Q128-Q132 PolarHBondContact O-N 3.11Å; Q128-Q132 VanDerWaalsContact O-N 3.08Å |
| 129 | K | 72.2 | Confident | 76.5 | Confident | 132 Ų | 132 | 67.6 Ų | 67.6 | 57% | 0.574 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -49.5 | -40.5 | -179.6 | 68 | -178.1 | -177.7 | 178 | 0 | 114.4 | S127 G133 | S127-K129 PolarHBondContact O-N 3.16Å; K129-G133 PolarHBondContact O-N 3.49Å |
| 130 | F | 76.6 | Confident | 77.1 | Confident | 157 Ų | 157 | 66.8 Ų | 66.8 | 69% | 0.689 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -72.5 | -44 | -173.9 | -176.5 | -101.5 | 0 | 0 | 0 | 111.1 | Q128 G133 L134 | Q128-F130 PolarHBondContact O-N 2.85Å; Q128-F130 VanDerWaalsContact O-N 3.13Å; F130-G133 PolarHBondContact O-N 3.19Å; F130-L134 HydrophobicContact CE1-CD2 4.49Å; F130-L134 WeakPolarHBondContact O-CB 3.34Å; F130-L134 PolarHBondContact O-N 3.41Å |
| 131 | L | 81.1 | Confident | 77.6 | Confident | 80 Ų | 80 | 66.5 Ų | 66.5 | 42% | 0.419 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.1 | -42.9 | -179.2 | -161.5 | 147.7 | 0 | 0 | 0 | 110.6 | W70 Q128 L134 V135 | W70-L131 HydrophobicContact CH2-CD2 3.34Å; W70-L131 HydrophobicContact CZ2-CD2 3.75Å; W70-L131 HydrophobicContact CZ3-CD2 4.26Å; Q128-L131 PolarHBondContact O-N 3.28Å; L131-L134 PolarHBondContact O-N 2.99Å; L131-V135 HydrophobicContact CD2-CG2 4.14Å; L131-V135 VanDerWaalsContact O-CG2 3.26Å; L131-V135 WeakPolarHBondContact O-CG2 3.23Å; L131-V135 PolarHBondContact O-N 3.25Å |
| 132 | Q | 78.6 | Confident | 78 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 176 | -66.9 | 167.1 | -9.6 | 0 | 0 | 112 | C69 L123 S126 Q128 V135 Y136 | C69-Q132 VanDerWaalsContact CB-CD 3.44Å; C69-Q132 HydrophobicContact CB-CG 4.39Å; C69-Q132 VanDerWaalsContact CB-OE1 3.3Å; L123-Q132 HydrophobicContact CD2-CB 3.5Å; L123-Q132 HydrophobicContact CG-CB 4.28Å; S126-Q132 PolarHBondContact OG-NE2 3.25Å; Q128-Q132 WeakPolarHBondContact O-CG 3.48Å; Q128-Q132 PolarHBondContact O-N 3.11Å; Q128-Q132 VanDerWaalsContact O-N 3.08Å; Q132-V135 PolarHBondContact O-N 3.47Å; Q132-Y136 WeakPolarHBondContact O-CB 3.32Å; Q132-Y136 PolarHBondContact O-N 3.18Å |
| 133 | G | 82.7 | Confident | 78.7 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 5% | 0.052 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | K129 F130 Y136 L137 | K129-G133 PolarHBondContact O-N 3.49Å; F130-G133 PolarHBondContact O-N 3.19Å; G133-Y136 PolarHBondContact O-N 2.85Å; G133-L137 VanDerWaalsContact O-CB 3.26Å; G133-L137 WeakPolarHBondContact O-CB 3.26Å; G133-L137 PolarHBondContact O-N 2.87Å |
| 134 | L | 85.8 | Confident | 79.5 | Confident | 75 Ų | 75 | 61.1 Ų | 61.1 | 39% | 0.393 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 176.5 | -174.7 | 68 | 0 | 0 | 0 | 111.4 | F130 L131 L137 I138 | F130-L134 HydrophobicContact CE1-CD2 4.49Å; F130-L134 WeakPolarHBondContact O-CB 3.34Å; F130-L134 PolarHBondContact O-N 3.41Å; L131-L134 PolarHBondContact O-N 2.99Å; L134-L137 PolarHBondContact O-N 3.45Å; L134-I138 HydrophobicContact CD1-CD1 4.11Å; L134-I138 HydrophobicContact CD1-CG1 4.41Å; L134-I138 HydrophobicContact CD2-CD1 4.39Å; L134-I138 HydrophobicContact CG-CD1 3.78Å; L134-I138 HydrophobicContact CG-CG1 4.43Å; L134-I138 WeakPolarHBondContact O-CB 3.48Å; L134-I138 VanDerWaalsContact O-CG1 3.23Å; L134-I138 WeakPolarHBondContact O-CG1 3.38Å; L134-I138 PolarHBondContact O-N 3.42Å |
| 135 | V | 85.9 | Confident | 80.5 | Confident | 38 Ų | 38 | 57 Ų | 57 | 23% | 0.23 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | A73 L131 Q132 I138 G139 | A73-V135 HydrophobicContact CB-CB 4.26Å; A73-V135 HydrophobicContact CB-CG1 4.02Å; L131-V135 HydrophobicContact CD2-CG2 4.14Å; L131-V135 VanDerWaalsContact O-CG2 3.26Å; L131-V135 WeakPolarHBondContact O-CG2 3.23Å; L131-V135 PolarHBondContact O-N 3.25Å; Q132-V135 PolarHBondContact O-N 3.47Å; V135-I138 PolarHBondContact O-N 3.13Å; V135-G139 PolarHBondContact O-N 3.29Å |
| 136 | Y | 84.6 | Confident | 81.3 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 8% | 0.078 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 174.7 | 178.1 | -97.8 | 0 | 0 | 0 | 111.7 | I72 P76 A112 I116 T119 Q132 G133 G139 N140 | I72-Y136 HydrophobicContact CG2-CD2 4.45Å; I72-Y136 HydrophobicContact CG2-CE2 4.5Å; P76-Y136 HydrophobicContact CG-CD2 4.04Å; P76-Y136 HydrophobicContact CG-CE2 4.09Å; A112-Y136 VanDerWaalsContact CB-OH 3.28Å; A112-Y136 WeakPolarHBondContact CB-OH 3.26Å; A112-Y136 PolarHBondContact O-OH 2.79Å; I116-Y136 HydrophobicContact CB-CE1 4.4Å; I116-Y136 HydrophobicContact CD1-CD1 3.94Å; I116-Y136 HydrophobicContact CD1-CE1 4.14Å; I116-Y136 HydrophobicContact CG1-CD1 3.96Å; I116-Y136 HydrophobicContact CG1-CE1 3.84Å; T119-Y136 HydrophobicContact CG2-CD1 4.44Å; T119-Y136 HydrophobicContact CG2-CE1 4.32Å; T119-Y136 HydrophobicContact CG2-CE2 4.38Å; Q132-Y136 WeakPolarHBondContact O-CB 3.32Å; Q132-Y136 PolarHBondContact O-N 3.18Å; G133-Y136 PolarHBondContact O-N 2.85Å; Y136-G139 PolarHBondContact O-N 3.48Å; Y136-N140 WeakPolarHBondContact CD1-ND2 3.26Å; Y136-N140 WeakPolarHBondContact CD2-ND2 3.39Å; Y136-N140 VanDerWaalsContact CE1-ND2 3.31Å; Y136-N140 WeakPolarHBondContact CE1-ND2 3.47Å; Y136-N140 VanDerWaalsContact CE2-ND2 3.33Å; Y136-N140 WeakPolarHBondContact CE2-ND2 3.36Å; Y136-N140 VanDerWaalsContact CZ-ND2 3.26Å; Y136-N140 WeakPolarHBondContact O-CB 3.21Å; Y136-N140 PolarHBondContact O-N 3.47Å; Y136-N140 PolarHBondContact O-ND2 3.36Å |
| 137 | L | 86.6 | Confident | 82 | Confident | 64 Ų | 64 | 57 Ų | 57 | 34% | 0.335 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.1 | -49.8 | 177.1 | -179 | 67.2 | 0 | 0 | 0 | 111.3 | L113 I116 G133 L134 G139 N140 L141 | L113-L137 HydrophobicContact CD2-CD1 3.55Å; I116-L137 HydrophobicContact CD1-CB 4.37Å; I116-L137 HydrophobicContact CD1-CD1 4.05Å; G133-L137 VanDerWaalsContact O-CB 3.26Å; G133-L137 WeakPolarHBondContact O-CB 3.26Å; G133-L137 PolarHBondContact O-N 2.87Å; L134-L137 PolarHBondContact O-N 3.45Å; L137-G139 PolarHBondContact O-N 3.03Å; L137-N140 PolarHBondContact O-N 2.92Å; L137-L141 HydrophobicContact CD1-CD1 4.33Å; L137-L141 HydrophobicContact CD1-CG 4.39Å; L137-L141 HydrophobicContact CG-CD1 4.13Å; L137-L141 WeakPolarHBondContact O-CB 3.44Å; L137-L141 WeakPolarHBondContact O-CG 3.17Å; L137-L141 PolarHBondContact O-N 2.85Å |
| 138 | I | 88.7 | Confident | 82.7 | Confident | 83 Ų | 83 | 55.8 Ų | 55.8 | 43% | 0.426 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 178.7 | -69.6 | 169.7 | 0 | 0 | 0 | 110.8 | L134 V135 N140 L141 M142 | L134-I138 HydrophobicContact CD1-CD1 4.11Å; L134-I138 HydrophobicContact CD1-CG1 4.41Å; L134-I138 HydrophobicContact CD2-CD1 4.39Å; L134-I138 HydrophobicContact CG-CD1 3.78Å; L134-I138 HydrophobicContact CG-CG1 4.43Å; L134-I138 WeakPolarHBondContact O-CB 3.48Å; L134-I138 VanDerWaalsContact O-CG1 3.23Å; L134-I138 WeakPolarHBondContact O-CG1 3.38Å; L134-I138 PolarHBondContact O-N 3.42Å; V135-I138 PolarHBondContact O-N 3.13Å; I138-N140 PolarHBondContact O-N 3.24Å; I138-L141 PolarHBondContact O-N 2.92Å; I138-M142 VanDerWaalsContact O-CB 3.27Å; I138-M142 WeakPolarHBondContact O-CB 3.15Å; I138-M142 PolarHBondContact O-N 3.49Å |
| 139 | G | 86.3 | Confident | 83.2 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V135 Y136 L137 G143 | V135-G139 PolarHBondContact O-N 3.29Å; Y136-G139 PolarHBondContact O-N 3.48Å; L137-G139 PolarHBondContact O-N 3.03Å; G139-G143 PolarHBondContact O-N 3.24Å |
| 140 | N | 86.9 | Confident | 83.2 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 175.4 | -77.5 | -71.9 | 0 | 0 | 0 | 112.2 | P109 A112 L113 Y136 L137 I138 G143 L144 | P109-N140 VanDerWaalsContact CA-OD1 3.3Å; P109-N140 WeakPolarHBondContact CA-OD1 3.3Å; P109-N140 HydrophobicContact CB-CB 3.99Å; P109-N140 VanDerWaalsContact CB-OD1 3.31Å; P109-N140 WeakPolarHBondContact CB-OD1 3.29Å; A112-N140 WeakPolarHBondContact CB-OD1 3.39Å; L113-N140 HydrophobicContact CD1-CB 4.36Å; L113-N140 HydrophobicContact CD2-CB 3.71Å; L113-N140 HydrophobicContact CG-CB 3.85Å; Y136-N140 WeakPolarHBondContact CD1-ND2 3.26Å; Y136-N140 WeakPolarHBondContact CD2-ND2 3.39Å; Y136-N140 VanDerWaalsContact CE1-ND2 3.31Å; Y136-N140 WeakPolarHBondContact CE1-ND2 3.47Å; Y136-N140 VanDerWaalsContact CE2-ND2 3.33Å; Y136-N140 WeakPolarHBondContact CE2-ND2 3.36Å; Y136-N140 VanDerWaalsContact CZ-ND2 3.26Å; Y136-N140 WeakPolarHBondContact O-CB 3.21Å; Y136-N140 PolarHBondContact O-N 3.47Å; Y136-N140 PolarHBondContact O-ND2 3.36Å; L137-N140 PolarHBondContact O-N 2.92Å; I138-N140 PolarHBondContact O-N 3.24Å; N140-G143 PolarHBondContact O-N 2.88Å; N140-L144 WeakPolarHBondContact O-CB 3.34Å; N140-L144 PolarHBondContact O-N 3Å |
| 141 | L | 88.7 | Confident | 83 | Confident | 86 Ų | 86 | 49.6 Ų | 49.6 | 45% | 0.45 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 177 | -74.9 | -179.6 | 0 | 0 | 0 | 112.2 | L113 L137 I138 L144 A145 | L113-L141 HydrophobicContact CD1-CD2 4.12Å; L137-L141 HydrophobicContact CD1-CD1 4.33Å; L137-L141 HydrophobicContact CD1-CG 4.39Å; L137-L141 HydrophobicContact CG-CD1 4.13Å; L137-L141 WeakPolarHBondContact O-CB 3.44Å; L137-L141 WeakPolarHBondContact O-CG 3.17Å; L137-L141 PolarHBondContact O-N 2.85Å; I138-L141 PolarHBondContact O-N 2.92Å; L141-L144 PolarHBondContact O-N 3.23Å; L141-A145 VanDerWaalsContact O-CB 3.23Å; L141-A145 WeakPolarHBondContact O-CB 3.5Å; L141-A145 PolarHBondContact O-N 3.48Å |
| 142 | M | 87.2 | Confident | 82.3 | Confident | 88 Ų | 88 | 51.3 Ų | 51.3 | 43% | 0.433 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 178 | -170.8 | -176.6 | -72.3 | 0 | 0 | 111.2 | I80 I138 L144 A145 L146 | I80-M142 HydrophobicContact CD1-CB 3.78Å; I80-M142 HydrophobicContact CD1-CG 3.81Å; I80-M142 HydrophobicContact CD1-SD 3.93Å; I138-M142 VanDerWaalsContact O-CB 3.27Å; I138-M142 WeakPolarHBondContact O-CB 3.15Å; I138-M142 PolarHBondContact O-N 3.49Å; M142-L144 VanDerWaalsContact C-N 3.35Å; M142-A145 PolarHBondContact O-N 3.08Å; M142-L146 HydrophobicContact CG-CD1 4.27Å; M142-L146 WeakPolarHBondContact O-CB 3.42Å; M142-L146 VanDerWaalsContact O-CG 3.3Å; M142-L146 WeakPolarHBondContact O-CG 3.2Å; M142-L146 PolarHBondContact O-N 3.13Å |
| 143 | G | 84.3 | Confident | 81.5 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 19% | 0.186 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | G139 N140 A147 | G139-G143 PolarHBondContact O-N 3.24Å; N140-G143 PolarHBondContact O-N 2.88Å; G143-A147 WeakPolarHBondContact O-CB 3.28Å; G143-A147 PolarHBondContact O-N 3.03Å; G143-A147 VanDerWaalsContact O-N 3.17Å |
| 144 | L | 85.9 | Confident | 80.5 | Confident | 34 Ų | 34 | 56.3 Ų | 56.3 | 18% | 0.178 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64 | -49.3 | 174.6 | 178.9 | 58.2 | 0 | 0 | 0 | 111.7 | P109 I110 L113 N140 L141 M142 L146 A147 V148 | P109-L144 HydrophobicContact CG-CB 4.47Å; I110-L144 HydrophobicContact CD1-CD1 3.66Å; I110-L144 HydrophobicContact CG1-CD1 3.4Å; I110-L144 HydrophobicContact CG1-CD2 4.09Å; I110-L144 HydrophobicContact CG1-CG 4.36Å; L113-L144 HydrophobicContact CD1-CD2 4.16Å; N140-L144 WeakPolarHBondContact O-CB 3.34Å; N140-L144 PolarHBondContact O-N 3Å; L141-L144 PolarHBondContact O-N 3.23Å; M142-L144 VanDerWaalsContact C-N 3.35Å; L144-L146 PolarHBondContact O-N 3.07Å; L144-A147 PolarHBondContact O-N 3.3Å; L144-V148 HydrophobicContact CD1-CG2 3.82Å; L144-V148 HydrophobicContact CG-CG2 4.27Å; L144-V148 WeakPolarHBondContact O-CB 2.9Å; L144-V148 VanDerWaalsContact O-CG2 3.3Å; L144-V148 WeakPolarHBondContact O-CG2 3.47Å; L144-V148 PolarHBondContact O-N 3.35Å |
| 145 | A | 85.9 | Confident | 79.3 | Confident | 59 Ų | 59 | 54.3 Ų | 54.3 | 49% | 0.488 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | L141 M142 A147 V148 Y149 | L141-A145 VanDerWaalsContact O-CB 3.23Å; L141-A145 WeakPolarHBondContact O-CB 3.5Å; L141-A145 PolarHBondContact O-N 3.48Å; M142-A145 PolarHBondContact O-N 3.08Å; A145-A147 VanDerWaalsContact C-N 3.32Å; A145-A147 PolarHBondContact O-N 3.06Å; A145-V148 PolarHBondContact O-N 3.17Å; A145-Y149 VanDerWaalsContact O-CB 3.25Å; A145-Y149 WeakPolarHBondContact O-CB 3.43Å; A145-Y149 PolarHBondContact O-N 3.45Å |
| 146 | L | 82.1 | Confident | 77.9 | Confident | 65 Ų | 65 | 56.5 Ų | 56.5 | 34% | 0.34 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 176.7 | -72.6 | 172.1 | 0 | 0 | 0 | 111.9 | I80 M142 L144 K150 | I80-L146 HydrophobicContact CG2-CD1 3.37Å; M142-L146 HydrophobicContact CG-CD1 4.27Å; M142-L146 WeakPolarHBondContact O-CB 3.42Å; M142-L146 VanDerWaalsContact O-CG 3.3Å; M142-L146 WeakPolarHBondContact O-CG 3.2Å; M142-L146 PolarHBondContact O-N 3.13Å; L144-L146 PolarHBondContact O-N 3.07Å; L146-K150 WeakPolarHBondContact O-CB 3.42Å; L146-K150 VanDerWaalsContact O-CG 3.24Å; L146-K150 WeakPolarHBondContact O-CG 3.26Å; L146-K150 PolarHBondContact O-N 3.06Å |
| 147 | A | 79 | Confident | 76.6 | Confident | 6 Ų | 6 | 59 Ų | 59 | 5% | 0.05 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -73.5 | -39.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A106 G143 L144 A145 K150 C151 | A106-A147 HydrophobicContact CB-CB 3.08Å; G143-A147 WeakPolarHBondContact O-CB 3.28Å; G143-A147 PolarHBondContact O-N 3.03Å; G143-A147 VanDerWaalsContact O-N 3.17Å; L144-A147 PolarHBondContact O-N 3.3Å; A145-A147 VanDerWaalsContact C-N 3.32Å; A145-A147 PolarHBondContact O-N 3.06Å; A147-K150 CarbonylContact O-C 3.58Å; A147-K150 PolarHBondContact O-N 3.39Å; A147-C151 PolarHBondContact O-N 3.12Å; A147-C151 PolarHBondContact O-SG 2.76Å |
| 148 | V | 80 | Confident | 75.1 | Confident | 74 Ų | 74 | 60 Ų | 60 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 173.6 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | L144 A145 K150 C151 Q152 | L144-V148 HydrophobicContact CD1-CG2 3.82Å; L144-V148 HydrophobicContact CG-CG2 4.27Å; L144-V148 WeakPolarHBondContact O-CB 2.9Å; L144-V148 VanDerWaalsContact O-CG2 3.3Å; L144-V148 WeakPolarHBondContact O-CG2 3.47Å; L144-V148 PolarHBondContact O-N 3.35Å; A145-V148 PolarHBondContact O-N 3.17Å; V148-K150 PolarHBondContact O-N 2.99Å; V148-C151 PolarHBondContact O-N 3.41Å; V148-Q152 WeakPolarHBondContact O-CB 3.4Å; V148-Q152 PolarHBondContact O-N 3.44Å |
| 149 | Y | 79.2 | Confident | 73.6 | Confident | 155 Ų | 155 | 61.3 Ų | 61.3 | 61% | 0.608 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -54.9 | -38.9 | 174 | 177.3 | -101 | 0 | 0 | 0 | 111.6 | A145 S153 | A145-Y149 VanDerWaalsContact O-CB 3.25Å; A145-Y149 WeakPolarHBondContact O-CB 3.43Å; A145-Y149 PolarHBondContact O-N 3.45Å; Y149-S153 WeakPolarHBondContact O-CB 3.31Å; Y149-S153 PolarHBondContact O-N 3.33Å |
| 150 | K | 71.7 | Confident | 71.8 | Confident | 63 Ų | 63 | 66.3 Ų | 66.3 | 27% | 0.274 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -73 | -48.9 | 176.7 | -72.5 | -75.2 | -174.3 | -178.8 | 0 | 112.8 | M87 L146 A147 V148 Q152 S153 M154 | M87-K150 HydrophobicContact CE-CG 4.29Å; M87-K150 HydrophobicContact SD-CB 4.43Å; M87-K150 HydrophobicContact SD-CD 3.87Å; M87-K150 HydrophobicContact SD-CG 3.66Å; L146-K150 WeakPolarHBondContact O-CB 3.42Å; L146-K150 VanDerWaalsContact O-CG 3.24Å; L146-K150 WeakPolarHBondContact O-CG 3.26Å; L146-K150 PolarHBondContact O-N 3.06Å; A147-K150 CarbonylContact O-C 3.58Å; A147-K150 PolarHBondContact O-N 3.39Å; V148-K150 PolarHBondContact O-N 2.99Å; K150-Q152 PolarHBondContact O-N 3.34Å; K150-S153 WeakPolarHBondContact CA-OG 3.28Å; K150-S153 CarbonylContact O-C 3.6Å; K150-S153 PolarHBondContact O-N 3.25Å; K150-S153 PolarHBondContact O-OG 2.81Å; K150-M154 VanDerWaalsContact C-CE 3.45Å; K150-M154 HydrophobicContact CB-CE 3.97Å; K150-M154 WeakPolarHBondContact O-CB 3.13Å; K150-M154 VanDerWaalsContact O-CE 3.31Å; K150-M154 WeakPolarHBondContact O-CE 3.06Å; K150-M154 VanDerWaalsContact O-CG 3.25Å; K150-M154 WeakPolarHBondContact O-CG 3.43Å; K150-M154 PolarHBondContact O-N 2.91Å |
| 151 | C | 71.2 | Confident | 70.3 | Confident | 22 Ų | 22 | 69.5 Ų | 69.5 | 15% | 0.149 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60 | -29.9 | 177 | -54.1 | 0 | 0 | 0 | 0 | 110.8 | C103 A147 V148 L156 | C103-C151 WeakPolarHBondContact CB-SG 3.47Å; C103-C151 WeakPolarHBondContact SG-CB 3.44Å; C103-C151 CovalentContact SG-SG 2.08Å; C103-C151 PolarHBondContact SG-SG 3.05Å; A147-C151 PolarHBondContact O-N 3.12Å; A147-C151 PolarHBondContact O-SG 2.76Å; V148-C151 PolarHBondContact O-N 3.41Å; C151-L156 PolarHBondContact O-N 3.21Å |
| 152 | Q | 68 | Low | 68.8 | Low | 115 Ų | 115 | 68.4 Ų | 68.4 | 54% | 0.537 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.5 | -49 | 168 | -177.6 | 176.9 | -15.8 | 0 | 0 | 112.5 | V148 K150 M154 G155 L157 | V148-Q152 WeakPolarHBondContact O-CB 3.4Å; V148-Q152 PolarHBondContact O-N 3.44Å; K150-Q152 PolarHBondContact O-N 3.34Å; Q152-M154 PolarHBondContact O-N 3.3Å; Q152-G155 PolarHBondContact O-N 3.45Å; Q152-L157 HydrophobicContact CB-CD1 3.95Å; Q152-L157 HydrophobicContact CG-CD1 4.36Å |
| 153 | S | 60.3 | Low | 67.6 | Low | 62 Ų | 62 | 68.9 Ų | 68.9 | 43% | 0.434 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.6 | -26.2 | 177.5 | 72.3 | 0 | 0 | 0 | 0 | 113.4 | Y149 K150 G155 | Y149-S153 WeakPolarHBondContact O-CB 3.31Å; Y149-S153 PolarHBondContact O-N 3.33Å; K150-S153 WeakPolarHBondContact CA-OG 3.28Å; K150-S153 CarbonylContact O-C 3.6Å; K150-S153 PolarHBondContact O-N 3.25Å; K150-S153 PolarHBondContact O-OG 2.81Å; S153-G155 VanDerWaalsContact C-N 3.33Å |
| 154 | M | 62.8 | Low | 66.6 | Low | 48 Ų | 48 | 75.3 Ų | 75.3 | 24% | 0.236 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -1.1 | 179.8 | -64.5 | 178.7 | -60.9 | 0 | 0 | 112.8 | T99 K150 Q152 L156 | T99-M154 WeakPolarHBondContact CB-SD 3.37Å; T99-M154 HydrophobicContact CG2-CB 4.27Å; T99-M154 HydrophobicContact CG2-CE 3.23Å; T99-M154 HydrophobicContact CG2-CG 4.22Å; T99-M154 HydrophobicContact CG2-SD 3.09Å; T99-M154 WeakPolarHBondContact CG2-SD 3.28Å; T99-M154 PolarHBondContact OG1-SD 3.47Å; K150-M154 VanDerWaalsContact C-CE 3.45Å; K150-M154 HydrophobicContact CB-CE 3.97Å; K150-M154 WeakPolarHBondContact O-CB 3.13Å; K150-M154 VanDerWaalsContact O-CE 3.31Å; K150-M154 WeakPolarHBondContact O-CE 3.06Å; K150-M154 VanDerWaalsContact O-CG 3.25Å; K150-M154 WeakPolarHBondContact O-CG 3.43Å; K150-M154 PolarHBondContact O-N 2.91Å; Q152-M154 PolarHBondContact O-N 3.3Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 2.99Å |
| 155 | G | 59.7 | Low | 65.1 | Low | 34 Ų | 34 | 78.5 Ų | 78.5 | 35% | 0.351 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 16.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115 | Q152 S153 | Q152-G155 PolarHBondContact O-N 3.45Å; S153-G155 VanDerWaalsContact C-N 3.33Å |
| 156 | L | 56.7 | Low | 64 | Low | 84 Ų | 84 | 80 Ų | 80 | 44% | 0.44 | 45% | 0.447 | S | S | . | . | trans | -81.1 | -17.8 | 179.7 | -68.2 | 173 | 0 | 0 | 0 | 113.3 | T99 M100 C151 M154 | T99-L156 HydrophobicContact CG2-CD1 3.94Å; M100-L156 HydrophobicContact SD-CD1 3.64Å; C151-L156 PolarHBondContact O-N 3.21Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 2.99Å | ||
| 157 | L | 57.2 | Low | 63.2 | Low | 71 Ų | 71 | 84.9 Ų | 84.9 | 37% | 0.372 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -70.8 | 134.9 | 167.6 | -68.5 | 171.4 | 0 | 0 | 0 | 107.6 | Q152 T159 | Q152-L157 HydrophobicContact CB-CD1 3.95Å; Q152-L157 HydrophobicContact CG-CD1 4.36Å; L157-T159 HydrophobicContact CB-CG2 4.21Å; L157-T159 PolarHBondContact O-N 3Å |
| 158 | P | 55.6 | Low | 62.4 | Low | 87 Ų | 87 | 89.6 Ų | 89.6 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 45 | 173.9 | 31.2 | -36.1 | 0 | 0 | 0 | 111.7 | D163 | P158-D163 WeakPolarHBondContact CB-OD2 3.38Š|
| 159 | T | 56.9 | Low | 61.6 | Low | 109 Ų | 109 | 94.4 Ų | 94.4 | 67% | 0.669 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -11.9 | 172.3 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | L157 | L157-T159 HydrophobicContact CB-CG2 4.21Å; L157-T159 PolarHBondContact O-N 3Å |
| 160 | H | 49.3 | Very low | 61 | Low | 107 Ų | 107 | 92.2 Ų | 92.2 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -77 | 134.5 | 175.5 | -160.3 | -99.4 | 0 | 0 | 0 | 109.3 | S162 D163 | H160-S162 VanDerWaalsContact ND1-CB 3.35Å; H160-S162 WeakPolarHBondContact ND1-CB 3.23Å; H160-S162 PolarHBondContact ND1-N 3.28Å; H160-S162 PolarHBondContact ND1-OG 3.31Å; H160-S162 PolarHBondContact O-N 2.85Å; H160-D163 PolarHBondContact O-N 3.46Å |
| 161 | A | 54.8 | Low | 60.7 | Low | 73 Ų | 73 | 95 Ų | 95 | 60% | 0.603 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -54.7 | -18.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D163 W164 L165 | A161-D163 VanDerWaalsContact C-N 3.3Å; A161-D163 PolarHBondContact O-N 2.9Å; A161-W164 PolarHBondContact O-N 3.41Å; A161-L165 PolarHBondContact O-N 2.75Å |
| 162 | S | 57.8 | Low | 60.4 | Low | 62 Ų | 62 | 102.5 Ų | 102.5 | 43% | 0.434 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -66.1 | -23.3 | 175.9 | 59.6 | 0 | 0 | 0 | 0 | 114.9 | H160 W164 L165 | H160-S162 VanDerWaalsContact ND1-CB 3.35Å; H160-S162 WeakPolarHBondContact ND1-CB 3.23Å; H160-S162 PolarHBondContact ND1-N 3.28Å; H160-S162 PolarHBondContact ND1-OG 3.31Å; H160-S162 PolarHBondContact O-N 2.85Å; S162-W164 PolarHBondContact O-N 3.48Å; S162-L165 WeakPolarHBondContact O-CB 3.35Å; S162-L165 PolarHBondContact O-N 2.98Å |
| 163 | D | 60.7 | Low | 60.4 | Low | 98 Ų | 98 | 107.6 Ų | 107.6 | 52% | 0.524 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -72.2 | -24.1 | 175.7 | -160.4 | 36.7 | 0 | 0 | 0 | 111.5 | P158 H160 A161 | P158-D163 WeakPolarHBondContact CB-OD2 3.38Å; H160-D163 PolarHBondContact O-N 3.46Å; A161-D163 VanDerWaalsContact C-N 3.3Å; A161-D163 PolarHBondContact O-N 2.9Å |
| 164 | W | 63 | Low | 60.6 | Low | 153 Ų | 153 | 113.7 Ų | 113.7 | 58% | 0.58 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -92.7 | -4 | 176.7 | -55.6 | 89.8 | 0 | 0 | 0 | 113.1 | A161 S162 A166 F167 | A161-W164 PolarHBondContact O-N 3.41Å; S162-W164 PolarHBondContact O-N 3.48Å; W164-A166 PolarHBondContact O-N 2.97Å; W164-A166 VanDerWaalsContact O-N 3.17Å; W164-F167 AromaticContact CE3-CD2 3.86Å; W164-F167 HydrophobicContact CE3-CD2 3.86Å; W164-F167 AromaticContact CE3-CE2 3.91Å; W164-F167 HydrophobicContact CE3-CE2 3.91Å; W164-F167 HydrophobicContact CZ3-CD2 4.49Å; W164-F167 HydrophobicContact CZ3-CE2 4.17Å; W164-F167 PolarHBondContact O-N 3.46Å |
| 165 | L | 55.5 | Low | 60.8 | Low | 101 Ų | 101 | 119.8 Ų | 119.8 | 53% | 0.529 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -60.5 | -22.4 | 174.1 | -83 | 170.1 | 0 | 0 | 0 | 112.3 | A161 S162 F167 I168 | A161-L165 PolarHBondContact O-N 2.75Å; S162-L165 WeakPolarHBondContact O-CB 3.35Å; S162-L165 PolarHBondContact O-N 2.98Å; L165-F167 PolarHBondContact O-N 3.21Å; L165-I168 HydrophobicContact CD2-CB 4.34Å; L165-I168 HydrophobicContact CD2-CD1 4.05Å; L165-I168 PolarHBondContact O-N 2.7Å; L165-I168 VanDerWaalsContact O-N 3.14Å |
| 166 | A | 62.7 | Low | 61.1 | Low | 92 Ų | 92 | 127.8 Ų | 127.8 | 76% | 0.76 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -62.4 | -21.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | W164 | W164-A166 PolarHBondContact O-N 2.97Å; W164-A166 VanDerWaalsContact O-N 3.17Å |
| 167 | F | 65.6 | Low | 61.6 | Low | 167 Ų | 167 | 129.5 Ų | 129.5 | 73% | 0.732 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -99.6 | -8.7 | 176.2 | -60 | -67.8 | 0 | 0 | 0 | 113.7 | W164 L165 | W164-F167 AromaticContact CE3-CD2 3.86Å; W164-F167 HydrophobicContact CE3-CD2 3.86Å; W164-F167 AromaticContact CE3-CE2 3.91Å; W164-F167 HydrophobicContact CE3-CE2 3.91Å; W164-F167 HydrophobicContact CZ3-CD2 4.49Å; W164-F167 HydrophobicContact CZ3-CE2 4.17Å; W164-F167 PolarHBondContact O-N 3.46Å; L165-F167 PolarHBondContact O-N 3.21Å |
| 168 | I | 61.4 | Low | 62.1 | Low | 104 Ų | 104 | 129.3 Ų | 129.3 | 53% | 0.533 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -89.8 | 120.5 | 173.8 | -65.4 | 167.2 | 0 | 0 | 0 | 105.7 | L165 | L165-I168 HydrophobicContact CD2-CB 4.34Å; L165-I168 HydrophobicContact CD2-CD1 4.05Å; L165-I168 PolarHBondContact O-N 2.7Å; L165-I168 VanDerWaalsContact O-N 3.14Å |
| 169 | E | 63.6 | Low | 62.8 | Low | 175 Ų | 175 | 128.8 Ų | 128.8 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 129.1 | 174.5 | -71.5 | 176.4 | 177.9 | 0 | 0 | 108.8 | ||
| 170 | P | 66.4 | Low | 63.2 | Low | 109 Ų | 109 | 126.9 Ų | 126.9 | 71% | 0.708 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 135.3 | 179.2 | 21.6 | -30.6 | 0 | 0 | 0 | 108 | E172 | P170-E172 PolarHBondContact O-N 2.73Š|
| 171 | P | 65.6 | Low | 63.9 | Low | 121 Ų | 121 | 129.8 Ų | 129.8 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 123.1 | 176.1 | 21.7 | -31.4 | 0 | 0 | 0 | 108.2 | R173 | P171-R173 PolarHBondContact O-N 3.07Š|
| 172 | E | 65 | Low | 64.1 | Low | 181 Ų | 181 | 134.2 Ų | 134.2 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 129.5 | 174.8 | -73.2 | -151.5 | 146 | 0 | 0 | 108.3 | P170 M174 | P170-E172 PolarHBondContact O-N 2.73Å; E172-M174 PolarHBondContact O-N 3.24Å |
| 173 | R | 67.4 | Low | 64.1 | Low | 222 Ų | 222 | 142.9 Ų | 142.9 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -61.6 | 106.8 | 179.7 | -59.2 | -178.3 | -161.2 | -103.8 | 1.5 | 107.5 | P171 E175 | P171-R173 PolarHBondContact O-N 3.07Å; R173-E175 PolarHBondContact O-N 3.34Å | ||
| 174 | M | 65.2 | Low | 64.2 | Low | 189 Ų | 189 | 145.1 Ų | 145.1 | 93% | 0.931 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -71.2 | -4.2 | 174.1 | -73.3 | -163.1 | -75.1 | 0 | 0 | 113 | E172 | E172-M174 PolarHBondContact O-N 3.24Š|
| 175 | E | 65.9 | Low | 64.3 | Low | 176 Ų | 176 | 144.7 Ų | 144.7 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -111.8 | 96.6 | 178.8 | -64.4 | -175.9 | 177.9 | 0 | 0 | 110.7 | R173 S177 | R173-E175 PolarHBondContact O-N 3.34Å; E175-S177 PolarHBondContact O-N 2.75Å | ||
| 176 | F | 66.1 | Low | 64.8 | Low | 202 Ų | 202 | 147.1 Ų | 147.1 | 89% | 0.886 | 82% | 0.817 | S | S | * | * | trans | -78.8 | 97.2 | 155.8 | -79.1 | -88.1 | 0 | 0 | 0 | 107.8 | G178 | F176-G178 PolarHBondContact O-N 2.9Š| ||
| 177 | S | 67.7 | Low | 64.9 | Low | 121 Ų | 121 | 150.4 Ų | 150.4 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -76 | 82.7 | 162.8 | -155.2 | 0 | 0 | 0 | 0 | 107.7 | E175 G179 | E175-S177 PolarHBondContact O-N 2.75Å; S177-G179 PolarHBondContact O-N 2.78Å; S177-G179 VanDerWaalsContact O-N 3.1Å | ||
| 178 | G | 68.6 | Low | 64.9 | Low | 67 Ų | 67 | 149.3 Ų | 149.3 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | trans | -66.9 | 101.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | F176 G180 | F176-G178 PolarHBondContact O-N 2.9Å; G178-G180 PolarHBondContact O-N 3.39Å | ||
| 179 | G | 69.3 | Low | 65.1 | Low | 75 Ų | 75 | 152.3 Ų | 152.3 | 77% | 0.773 | 85% | 0.845 | S | S | * | * | trans | -53.6 | 111.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | S177 L181 | S177-G179 PolarHBondContact O-N 2.78Å; S177-G179 VanDerWaalsContact O-N 3.1Å; G179-L181 PolarHBondContact O-N 3.05Å | ||
| 180 | G | 64.7 | Low | 65.2 | Low | 69 Ų | 69 | 150.7 Ų | 150.7 | 71% | 0.711 | 85% | 0.847 | S | S | * | * | trans | -59.2 | 134.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | G178 L182 | G178-G180 PolarHBondContact O-N 3.39Å; G180-L182 PolarHBondContact O-N 2.96Å; G180-L182 VanDerWaalsContact O-N 3.11Å | ||
| 181 | L | 64.7 | Low | 65.1 | Low | 169 Ų | 169 | 153.9 Ų | 153.9 | 89% | 0.885 | 86% | 0.858 | S | S | * | * | trans | -57.6 | 110.9 | 170.7 | -173 | 69.3 | 0 | 0 | 0 | 108.6 | G179 L183 | G179-L181 PolarHBondContact O-N 3.05Å; L181-L183 PolarHBondContact O-N 3.4Å | ||
| 182 | L | 59.2 | Low | 65.1 | Low | 166 Ų | 166 | 156.7 Ų | 156.7 | 87% | 0.869 | 86% | 0.864 | S | S | * | * | trans | -66.4 | 122.7 | 165 | -81.1 | 166.6 | 0 | 0 | 0 | 107.6 | G180 | G180-L182 PolarHBondContact O-N 2.96Å; G180-L182 VanDerWaalsContact O-N 3.11Å | ||
| 183 | L | 57.5 | Low | 65.1 | Low | 243 Ų | 243 | 154.5 Ų | 154.5 | 100% | 1.272 | 87% | 0.866 | S | S | * | * | trans | -51.8 | 0 | 174.8 | -72.7 | 164.9 | 0 | 0 | 0 | 112.8 | L181 | L181-L183 PolarHBondContact O-N 3.4Š|
Retrieved 183 of 183 residues in 527 ms
(Link to these results)