| 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 | 44.4 | Very low | 46.3 | Very low | 236 Ų | 236 | 133.4 Ų | 133.4 | 100% | 1.163 | 75% | 0.75 | S | S | * | * | 0 | 122.7 | 0 | -76.6 | 165 | 173.4 | 0 | 0 | 108.1 | |||||
| 2 | T | 44.6 | Very low | 46.9 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | 59.1 | 101.8 | 164.8 | 44 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 3 | P | 40.6 | Very low | 47.1 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | trans | -97.2 | 140.1 | 156 | 35.3 | -24.4 | 0 | 0 | 0 | 111.5 | ||||
| 4 | C | 49 | Very low | 47.5 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | trans | -154.5 | 107.8 | 162 | -72.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 5 | I | 43.1 | Very low | 47.9 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | 52.8 | 106.8 | 80.3 | -54.8 | 166.5 | 0 | 0 | 0 | 111.7 | |||||
| 6 | S | 45.9 | Very low | 48.4 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | 173.5 | 93.1 | 128 | -170.5 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 7 | F | 49.9 | Very low | 49 | Very low | 179 Ų | 179 | 130.9 Ų | 130.9 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | 59.6 | 97 | 95.6 | -95.3 | -89.9 | 0 | 0 | 0 | 115 | |||||
| 8 | N | 44.2 | Very low | 49.9 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 58% | 0.578 | 72% | 0.717 | S | S | * | * | trans | 30.2 | 88 | 135 | -164.5 | 34.3 | 0 | 0 | 0 | 118.6 | S11 | N8-S11 PolarHBondContact ND2-OG 3.08Å; N8-S11 VanDerWaalsContact ND2-OG 3.08Å; N8-S11 WeakPolarHBondContact OD1-CB 3.49Å; N8-S11 PolarHBondContact OD1-OG 3.29Å | ||
| 9 | E | 46.6 | Very low | 50.8 | Low | 172 Ų | 172 | 134.2 Ų | 134.2 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -112.7 | -11.8 | 163.7 | -134.3 | 174.3 | 121.8 | 0 | 0 | 113.1 | ||
| 10 | S | 49.6 | Very low | 52.1 | Low | 99 Ų | 99 | 138.3 Ų | 138.3 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -81 | -19.3 | -175.2 | 51 | 0 | 0 | 0 | 0 | 114.4 | ||
| 11 | S | 51.6 | Low | 53.2 | Low | 46 Ų | 46 | 135.4 Ų | 135.4 | 32% | 0.322 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -75.6 | -29.7 | -178.2 | 74.3 | 0 | 0 | 0 | 0 | 113.3 | N8 S14 F15 | N8-S11 PolarHBondContact ND2-OG 3.08Å; N8-S11 VanDerWaalsContact ND2-OG 3.08Å; N8-S11 WeakPolarHBondContact OD1-CB 3.49Å; N8-S11 PolarHBondContact OD1-OG 3.29Å; S11-S14 PolarHBondContact O-OG 3.42Å; S11-F15 VanDerWaalsContact O-CD2 3.28Å; S11-F15 WeakPolarHBondContact O-CD2 3.28Å |
| 12 | V | 53 | Low | 54.1 | Low | 108 Ų | 108 | 130.3 Ų | 130.3 | 66% | 0.655 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -87.5 | -35.1 | -170.7 | -170.7 | 0 | 0 | 0 | 0 | 112.5 | S14 | V12-S14 VanDerWaalsContact C-N 3.25Å; V12-S14 PolarHBondContact O-N 3.36Å |
| 13 | F | 50.2 | Low | 55.3 | Low | 175 Ų | 175 | 130.5 Ų | 130.5 | 77% | 0.768 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -73.3 | -17.5 | 176.7 | -120.2 | -89 | 0 | 0 | 0 | 113.6 | F15 | F13-F15 VanDerWaalsContact C-N 3.33Å; F13-F15 PolarHBondContact O-N 2.96Å |
| 14 | S | 52.9 | Low | 56.9 | Low | 41 Ų | 41 | 134.1 Ų | 134.1 | 29% | 0.287 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.7 | -20.1 | -177.4 | 77.8 | 0 | 0 | 0 | 0 | 114.5 | S11 V12 | S11-S14 PolarHBondContact O-OG 3.42Å; V12-S14 VanDerWaalsContact C-N 3.25Å; V12-S14 PolarHBondContact O-N 3.36Å |
| 15 | F | 53.6 | Low | 57.6 | Low | 175 Ų | 175 | 134.8 Ų | 134.8 | 77% | 0.768 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -22.1 | -175 | -82.2 | -83.1 | 0 | 0 | 0 | 114.1 | S11 F13 | S11-F15 VanDerWaalsContact O-CD2 3.28Å; S11-F15 WeakPolarHBondContact O-CD2 3.28Å; F13-F15 VanDerWaalsContact C-N 3.33Å; F13-F15 PolarHBondContact O-N 2.96Å |
| 16 | L | 55.4 | Low | 58.1 | Low | 157 Ų | 157 | 131.6 Ų | 131.6 | 82% | 0.822 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -24 | -177.5 | -78.4 | 157.1 | 0 | 0 | 0 | 113.9 | ||
| 17 | S | 58.2 | Low | 58.5 | Low | 103 Ų | 103 | 135.5 Ų | 135.5 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -8.2 | -176.2 | -168.5 | 0 | 0 | 0 | 0 | 114.9 | ||
| 18 | K | 66.3 | Low | 58.7 | Low | 147 Ų | 147 | 131.2 Ų | 131.2 | 64% | 0.639 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -0.6 | -172.8 | -70.6 | -176.9 | -179.2 | -178.7 | 0 | 115.1 | W20 A21 | K18-W20 PolarHBondContact O-N 3.16Å; K18-A21 PolarHBondContact O-N 3.03Å; K18-A21 VanDerWaalsContact O-N 3.16Å |
| 19 | K | 66.9 | Low | 58.9 | Low | 176 Ų | 176 | 136.9 Ų | 136.9 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -21.2 | -170.6 | -148.6 | 170.2 | 85.1 | -179.5 | 0 | 114.4 | ||
| 20 | W | 75.3 | Confident | 59.2 | Low | 217 Ų | 217 | 136.4 Ų | 136.4 | 82% | 0.822 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | 11.2 | 178.6 | -59.1 | 101.8 | 0 | 0 | 0 | 113.5 | K18 L22 | K18-W20 PolarHBondContact O-N 3.16Å; W20-L22 PolarHBondContact O-N 3.4Å |
| 21 | A | 75.1 | Confident | 59.2 | Low | 77 Ų | 77 | 137.7 Ų | 137.7 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | trans | -77.3 | 93.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | K18 | K18-A21 PolarHBondContact O-N 3.03Å; K18-A21 VanDerWaalsContact O-N 3.16Å | ||
| 22 | L | 63.9 | Low | 59.2 | Low | 130 Ų | 130 | 141.5 Ų | 141.5 | 68% | 0.681 | 73% | 0.725 | S | S | * | * | trans | -91.7 | 117.1 | 173.9 | -78.8 | 154.7 | 0 | 0 | 0 | 109.1 | W20 F24 | W20-L22 PolarHBondContact O-N 3.4Å; L22-F24 HydrophobicContact CB-CE2 3.95Å; L22-F24 HydrophobicContact CB-CZ 3.99Å | ||
| 23 | D | 70.9 | Confident | 58.9 | Low | 138 Ų | 138 | 141.6 Ų | 141.6 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | trans | -97.2 | 112.2 | 178.2 | -151.8 | -17.7 | 0 | 0 | 0 | 109.6 | ||||
| 24 | F | 73.2 | Confident | 58.6 | Low | 190 Ų | 190 | 139.9 Ų | 139.9 | 83% | 0.833 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -89.4 | 0 | -172.5 | -66.6 | -81.7 | 0 | 0 | 0 | 114 | L22 | L22-F24 HydrophobicContact CB-CE2 3.95Å; L22-F24 HydrophobicContact CB-CZ 3.99Å |
| 25 | N | 63.4 | Low | 58.3 | Low | 133 Ų | 133 | 146.9 Ų | 146.9 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -114.8 | 7.9 | -170.7 | -153.4 | -7.5 | 0 | 0 | 0 | 114.2 | K27 | N25-K27 PolarHBondContact O-N 2.88Š| ||
| 26 | S | 53.8 | Low | 58.1 | Low | 82 Ų | 82 | 144 Ų | 144 | 57% | 0.573 | 75% | 0.746 | S | S | * | * | trans | -75.8 | 92.2 | 177.4 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | A28 | S26-A28 PolarHBondContact O-N 3.02Š| ||
| 27 | K | 55.3 | Low | 57.4 | Low | 193 Ų | 193 | 144 Ų | 144 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 10.7 | 168.2 | -76.1 | -174.8 | 174.9 | -176.6 | 0 | 114.2 | N25 | N25-K27 PolarHBondContact O-N 2.88Š|
| 28 | A | 53.2 | Low | 57 | Low | 88 Ų | 88 | 144.9 Ų | 144.9 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 13.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S26 | S26-A28 PolarHBondContact O-N 3.02Š|
| 29 | R | 47.9 | Very low | 56.2 | Low | 228 Ų | 228 | 143.2 Ų | 143.2 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -126.8 | 33.5 | -174.6 | -155.6 | -162.5 | -76.9 | -121.6 | -3.4 | 115.5 | ||||
| 30 | I | 54.6 | Low | 55.6 | Low | 162 Ų | 162 | 144.1 Ų | 144.1 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -111.8 | -0.8 | 177.3 | -61.8 | -179.5 | 0 | 0 | 0 | 113 | ||
| 31 | T | 49.7 | Very low | 55.1 | Low | 125 Ų | 125 | 141 Ų | 141 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -136.5 | 101.2 | 178 | 9.7 | 0 | 0 | 0 | 0 | 110.7 | ||
| 32 | T | 50.4 | Low | 54.7 | Low | 127 Ų | 127 | 146.7 Ų | 146.7 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | 26.9 | 154.7 | 145.4 | 53.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 33 | P | 47.9 | Very low | 55.3 | Low | 109 Ų | 109 | 146.3 Ų | 146.3 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | cis | -133.5 | 144.2 | -40.1 | 34.7 | -18.2 | 0 | 0 | 0 | 110.7 | ||||
| 34 | N | 42.8 | Very low | 55.8 | Low | 140 Ų | 140 | 144 Ų | 144 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | -117.8 | 77.2 | 158.8 | -151.1 | 2.2 | 0 | 0 | 0 | 108.4 | I36 | N34-I36 PolarHBondContact O-N 3.36Å; N34-I36 WeakPolarHBondContact OD1-CD1 3.36Å; N34-I36 WeakPolarHBondContact OD1-CG1 3.21Å | ||
| 35 | Q | 45.7 | Very low | 56 | Low | 188 Ų | 188 | 141.6 Ų | 141.6 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | trans | -75.6 | 72.9 | 171 | -169 | -173.1 | 3.2 | 0 | 0 | 107.8 | ||||
| 36 | I | 50.2 | Low | 56.5 | Low | 115 Ų | 115 | 138.9 Ų | 138.9 | 59% | 0.59 | 76% | 0.762 | S | S | * | * | trans | -125.1 | 95.2 | 169.4 | -62.9 | 177.3 | 0 | 0 | 0 | 106.6 | N34 T38 | N34-I36 PolarHBondContact O-N 3.36Å; N34-I36 WeakPolarHBondContact OD1-CD1 3.36Å; N34-I36 WeakPolarHBondContact OD1-CG1 3.21Å; I36-T38 PolarHBondContact O-N 3Å | ||
| 37 | N | 41.4 | Very low | 57.8 | Low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | trans | 45.9 | 68.2 | 152.3 | -55.4 | -36.2 | 0 | 0 | 0 | 116.7 | ||||
| 38 | T | 49.8 | Very low | 58.6 | Low | 123 Ų | 123 | 136.3 Ų | 136.3 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | -111 | 114.7 | 151.9 | 52 | 0 | 0 | 0 | 0 | 107.8 | I36 E40 | I36-T38 PolarHBondContact O-N 3Å; T38-E40 PolarHBondContact O-N 3.02Å | ||
| 39 | P | 49.9 | Very low | 59.4 | Low | 112 Ų | 112 | 138 Ų | 138 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -57.8 | 134.3 | 177.1 | 25.9 | -32.4 | 0 | 0 | 0 | 108.5 | L41 | P39-L41 PolarHBondContact O-N 2.96Š| ||
| 40 | E | 52.8 | Low | 60.2 | Low | 195 Ų | 195 | 134.9 Ų | 134.9 | 91% | 0.911 | 73% | 0.731 | S | S | * | * | trans | -19.8 | 94.1 | 173.5 | -106.8 | -159.1 | 123.1 | 0 | 0 | 113.4 | T38 K42 | T38-E40 PolarHBondContact O-N 3.02Å; E40-K42 PolarHBondContact O-N 2.95Å | ||
| 41 | L | 65.7 | Low | 60.8 | Low | 150 Ų | 150 | 132.7 Ų | 132.7 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | -74.4 | 99.2 | 167.9 | -117.2 | 78.3 | 0 | 0 | 0 | 106.7 | P39 H43 | P39-L41 PolarHBondContact O-N 2.96Å; L41-H43 PolarHBondContact O-N 3.09Å; L41-H43 VanDerWaalsContact O-N 3.09Å | ||
| 42 | K | 67.3 | Low | 61.2 | Low | 198 Ų | 198 | 135.4 Ų | 135.4 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | trans | -50.6 | 114.9 | 175.3 | -168.5 | 171.1 | -174.9 | 175.3 | 0 | 109.5 | E40 | E40-K42 PolarHBondContact O-N 2.95Š| ||
| 43 | H | 75.3 | Confident | 61.4 | Low | 122 Ų | 122 | 134.4 Ų | 134.4 | 57% | 0.565 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 143.2 | 178.6 | -60.5 | 160.3 | 0 | 0 | 0 | 110.8 | L41 Y47 | L41-H43 PolarHBondContact O-N 3.09Å; L41-H43 VanDerWaalsContact O-N 3.09Å; H43-Y47 HydrophobicContact CB-CD1 3.93Å; H43-Y47 HydrophobicContact CB-CG 4.21Å; H43-Y47 AromaticContact CG-CD1 3.75Å; H43-Y47 AromaticContact ND1-CD1 3.61Å; H43-Y47 AromaticContact ND1-CE1 3.96Å |
| 44 | P | 81.1 | Confident | 61.7 | Low | 88 Ų | 88 | 132.2 Ų | 132.2 | 57% | 0.571 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -64 | 150.8 | -179.8 | 26.4 | -32.9 | 0 | 0 | 0 | 110.7 | G46 Y47 | P44-G46 PolarHBondContact O-N 3.04Å; P44-G46 VanDerWaalsContact O-N 3.13Å; P44-Y47 WeakPolarHBondContact O-CB 3.45Å; P44-Y47 PolarHBondContact O-N 2.57Å |
| 45 | P | 77.3 | Confident | 62.4 | Low | 141 Ų | 141 | 130.9 Ų | 130.9 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | 121.3 | 175.3 | -20.8 | 30.6 | 0 | 0 | 0 | 110.5 | ||
| 46 | G | 75.6 | Confident | 62.8 | Low | 76 Ų | 76 | 125.9 Ų | 125.9 | 78% | 0.784 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100 | -2.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | P44 V48 | P44-G46 PolarHBondContact O-N 3.04Å; P44-G46 VanDerWaalsContact O-N 3.13Å; G46-V48 PolarHBondContact O-N 3.13Å |
| 47 | Y | 79.4 | Confident | 63 | Low | 120 Ų | 120 | 124.8 Ų | 124.8 | 47% | 0.471 | 71% | 0.705 | S | S | . | * | trans | -70.7 | 118.6 | 170 | -172.3 | -99.3 | 0 | 0 | 0 | 110.5 | H43 P44 D49 | H43-Y47 HydrophobicContact CB-CD1 3.93Å; H43-Y47 HydrophobicContact CB-CG 4.21Å; H43-Y47 AromaticContact CG-CD1 3.75Å; H43-Y47 AromaticContact ND1-CD1 3.61Å; H43-Y47 AromaticContact ND1-CE1 3.96Å; P44-Y47 WeakPolarHBondContact O-CB 3.45Å; P44-Y47 PolarHBondContact O-N 2.57Å; Y47-D49 HydrophobicContact CE1-CB 4.48Å; Y47-D49 VanDerWaalsContact CE1-CG 3.44Å; Y47-D49 VanDerWaalsContact CE1-OD1 3.24Å; Y47-D49 WeakPolarHBondContact CE1-OD1 3.43Å; Y47-D49 WeakPolarHBondContact CE1-OD2 3.24Å; Y47-D49 PolarHBondContact OH-OD1 3.32Å | ||
| 48 | V | 73.6 | Confident | 63.5 | Low | 101 Ų | 101 | 126 Ų | 126 | 61% | 0.612 | 70% | 0.698 | S | S | * | * | trans | -124.4 | 122.1 | 170.1 | -69.3 | 0 | 0 | 0 | 0 | 107.6 | G46 R50 | G46-V48 PolarHBondContact O-N 3.13Å; V48-R50 PolarHBondContact O-N 3.22Å | ||
| 49 | D | 69.1 | Low | 63.8 | Low | 123 Ų | 123 | 122.9 Ų | 122.9 | 66% | 0.658 | 68% | 0.677 | S | S | * | * | trans | -71.1 | 69.6 | 170.5 | -84.3 | -43 | 0 | 0 | 0 | 109.6 | Y47 | Y47-D49 HydrophobicContact CE1-CB 4.48Å; Y47-D49 VanDerWaalsContact CE1-CG 3.44Å; Y47-D49 VanDerWaalsContact CE1-OD1 3.24Å; Y47-D49 WeakPolarHBondContact CE1-OD1 3.43Å; Y47-D49 WeakPolarHBondContact CE1-OD2 3.24Å; Y47-D49 PolarHBondContact OH-OD1 3.32Å | ||
| 50 | R | 65.4 | Low | 64.2 | Low | 163 Ų | 163 | 122.4 Ų | 122.4 | 62% | 0.615 | 68% | 0.676 | S | S | * | * | trans | -132.2 | 120.2 | 173.2 | -72.3 | -171.8 | -178 | -172.7 | 1.6 | 109.7 | V48 F52 | V48-R50 PolarHBondContact O-N 3.22Å; R50-F52 PolarHBondContact O-N 2.8Å | ||
| 51 | S | 67.7 | Low | 65 | Low | 115 Ų | 115 | 117.5 Ų | 117.5 | 80% | 0.804 | 66% | 0.656 | S | S | * | * | trans | -60.7 | 115.7 | 161.6 | 50.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 52 | F | 57.9 | Low | 65.3 | Low | 182 Ų | 182 | 114.9 Ų | 114.9 | 80% | 0.798 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -51.3 | 135.2 | 166.1 | -72.5 | -93.4 | 0 | 0 | 0 | 108.9 | R50 A54 | R50-F52 PolarHBondContact O-N 2.8Å; F52-A54 HydrophobicContact CD1-CB 4.4Å |
| 53 | P | 53.2 | Low | 65.8 | Low | 107 Ų | 107 | 111.5 Ų | 111.5 | 70% | 0.695 | 64% | 0.635 | S | S | * | * | cis | -113 | 120.8 | 45.3 | 35 | -25.3 | 0 | 0 | 0 | 113.6 | T55 | P53-T55 PolarHBondContact O-N 2.99Š| ||
| 54 | A | 54.6 | Low | 65.9 | Low | 63 Ų | 63 | 108.4 Ų | 108.4 | 52% | 0.521 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.9 | 41.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | F52 | F52-A54 HydrophobicContact CD1-CB 4.4Š|
| 55 | T | 56.8 | Low | 65.5 | Low | 111 Ų | 111 | 106.9 Ų | 106.9 | 68% | 0.681 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -21.9 | 179.7 | 32.5 | 0 | 0 | 0 | 0 | 114 | P53 | P53-T55 PolarHBondContact O-N 2.99Š|
| 56 | A | 55.4 | Low | 65.5 | Low | 84 Ų | 84 | 106.6 Ų | 106.6 | 69% | 0.694 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -95.8 | -11.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 57 | V | 54.2 | Low | 65.7 | Low | 91 Ų | 91 | 108.3 Ų | 108.3 | 55% | 0.552 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -118.8 | 0.5 | -168.7 | -166 | 0 | 0 | 0 | 0 | 114 | ||
| 58 | R | 52.5 | Low | 65.8 | Low | 181 Ų | 181 | 107.9 Ų | 107.9 | 68% | 0.683 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -92.7 | 2.4 | 169.6 | -82.8 | -176.9 | 77.9 | 147.7 | 1.5 | 113.8 | S60 | R58-S60 VanDerWaalsContact C-N 3.3Å; R58-S60 PolarHBondContact O-N 2.64Å |
| 59 | D | 54.1 | Low | 66.2 | Low | 58 Ų | 58 | 103.7 Ų | 103.7 | 31% | 0.31 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 13.4 | -175.2 | -83 | -36.4 | 0 | 0 | 0 | 114.7 | M65 R68 | D59-M65 WeakPolarHBondContact O-CG 3.35Å; D59-R68 IonicContact OD1-CZ 3.8Å; D59-R68 IonicContact OD1-NH1 2.64Å; D59-R68 PolarHBondContact OD1-NH1 3.37Å; D59-R68 IonicContact OD2-NH1 2.93Å; D59-R68 PolarHBondContact OD2-NH1 2.93Å |
| 60 | S | 59.4 | Low | 66.9 | Low | 101 Ų | 101 | 102.9 Ų | 102.9 | 71% | 0.706 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -5.9 | -178.2 | -55.5 | 0 | 0 | 0 | 0 | 115.1 | R58 P62 | R58-S60 VanDerWaalsContact C-N 3.3Å; R58-S60 PolarHBondContact O-N 2.64Å; S60-P62 WeakPolarHBondContact O-CD 3.32Å |
| 61 | D | 69.9 | Low | 67.9 | Low | 93 Ų | 93 | 98.3 Ų | 98.3 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | trans | -84.1 | 111.9 | 173.7 | -71.1 | -32.4 | 0 | 0 | 0 | 109.5 | H63 L64 M65 | D61-H63 PolarHBondContact O-N 2.78Å; D61-L64 HydrophobicContact CB-CB 4.02Å; D61-L64 HydrophobicContact CB-CD1 3.89Å; D61-L64 HydrophobicContact CB-CG 3.8Å; D61-L64 PolarHBondContact O-N 2.88Å; D61-L64 WeakPolarHBondContact OD2-CD1 3.34Å; D61-M65 PolarHBondContact O-N 3.35Å | ||
| 62 | P | 72 | Confident | 68.7 | Low | 94 Ų | 94 | 95.2 Ų | 95.2 | 61% | 0.61 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61 | -26.3 | -173.5 | 24.2 | -34.8 | 0 | 0 | 0 | 112.8 | S60 R66 | S60-P62 WeakPolarHBondContact O-CD 3.32Å; P62-R66 WeakPolarHBondContact O-CB 3.46Å; P62-R66 PolarHBondContact O-N 3.49Å; P62-R66 VanDerWaalsContact O-N 3.12Å |
| 63 | H | 77.1 | Confident | 69.9 | Low | 127 Ų | 127 | 86.6 Ų | 86.6 | 59% | 0.588 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -69.6 | -43.7 | 173.7 | -174.7 | -94.1 | 0 | 0 | 0 | 112.2 | D61 R66 Q67 | D61-H63 PolarHBondContact O-N 2.78Å; H63-R66 PolarHBondContact O-N 3.43Å; H63-Q67 PolarHBondContact O-N 2.92Å; H63-Q67 VanDerWaalsContact O-N 3.09Å |
| 64 | L | 76.8 | Confident | 71.5 | Confident | 57 Ų | 57 | 84.4 Ų | 84.4 | 30% | 0.298 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.1 | -38.9 | 178.4 | -62 | -176.1 | 0 | 0 | 0 | 111.3 | D61 R66 Q67 R68 | D61-L64 HydrophobicContact CB-CB 4.02Å; D61-L64 HydrophobicContact CB-CD1 3.89Å; D61-L64 HydrophobicContact CB-CG 3.8Å; D61-L64 PolarHBondContact O-N 2.88Å; D61-L64 WeakPolarHBondContact OD2-CD1 3.34Å; L64-R66 PolarHBondContact O-N 3.23Å; L64-Q67 PolarHBondContact O-N 3.05Å; L64-R68 WeakPolarHBondContact O-CB 3.38Å; L64-R68 PolarHBondContact O-N 2.81Å |
| 65 | M | 73.4 | Confident | 73 | Confident | 57 Ų | 57 | 82.5 Ų | 82.5 | 28% | 0.281 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 173.4 | -65.2 | -178.5 | 85.6 | 0 | 0 | 111.4 | D59 D61 Q67 R68 S69 | D59-M65 WeakPolarHBondContact O-CG 3.35Å; D61-M65 PolarHBondContact O-N 3.35Å; M65-Q67 PolarHBondContact O-N 3.08Å; M65-R68 PolarHBondContact O-N 2.97Å; M65-S69 WeakPolarHBondContact O-CB 3.48Å; M65-S69 PolarHBondContact O-N 3.47Å; M65-S69 PolarHBondContact O-OG 3.09Å; M65-S69 VanDerWaalsContact O-OG 3.08Å |
| 66 | R | 76.4 | Confident | 74.3 | Confident | 134 Ų | 134 | 77.5 Ų | 77.5 | 51% | 0.506 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 178.2 | -173.1 | -176.5 | -65.5 | 144.1 | -0.2 | 112.4 | P62 H63 L64 S69 W70 | P62-R66 WeakPolarHBondContact O-CB 3.46Å; P62-R66 PolarHBondContact O-N 3.49Å; P62-R66 VanDerWaalsContact O-N 3.12Å; H63-R66 PolarHBondContact O-N 3.43Å; L64-R66 PolarHBondContact O-N 3.23Å; R66-S69 WeakPolarHBondContact CA-OG 3.37Å; R66-S69 PolarHBondContact O-OG 3.12Å; R66-S69 VanDerWaalsContact O-OG 3.11Å; R66-W70 WeakPolarHBondContact O-CB 3.39Å; R66-W70 PolarHBondContact O-N 3.35Å |
| 67 | Q | 80.9 | Confident | 75.8 | Confident | 112 Ų | 112 | 77 Ų | 77 | 52% | 0.523 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 176.4 | -172 | 176.7 | 3.9 | 0 | 0 | 111.1 | H63 L64 M65 N71 | H63-Q67 PolarHBondContact O-N 2.92Å; H63-Q67 VanDerWaalsContact O-N 3.09Å; L64-Q67 PolarHBondContact O-N 3.05Å; M65-Q67 PolarHBondContact O-N 3.08Å; Q67-N71 PolarHBondContact O-N 2.98Å; Q67-N71 VanDerWaalsContact O-N 3.12Å; Q67-N71 PolarHBondContact O-ND2 3.11Å |
| 68 | R | 81.1 | Confident | 77.3 | Confident | 112 Ų | 112 | 79.7 Ų | 79.7 | 42% | 0.423 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 175.4 | -176.6 | 178.6 | 178.6 | 179.3 | -2.1 | 111.6 | D59 L64 M65 N71 I72 | D59-R68 IonicContact OD1-CZ 3.8Å; D59-R68 IonicContact OD1-NH1 2.64Å; D59-R68 PolarHBondContact OD1-NH1 3.37Å; D59-R68 IonicContact OD2-NH1 2.93Å; D59-R68 PolarHBondContact OD2-NH1 2.93Å; L64-R68 WeakPolarHBondContact O-CB 3.38Å; L64-R68 PolarHBondContact O-N 2.81Å; M65-R68 PolarHBondContact O-N 2.97Å; R68-N71 WeakPolarHBondContact O-CB 3.38Å; R68-N71 PolarHBondContact O-N 3.45Å; R68-N71 VanDerWaalsContact O-N 3.15Å; R68-I72 HydrophobicContact CG-CD1 4.16Å; R68-I72 WeakPolarHBondContact O-CG1 3.38Å; R68-I72 PolarHBondContact O-N 3.02Å |
| 69 | S | 82.2 | Confident | 78.9 | Confident | 13 Ų | 13 | 76 Ų | 76 | 9% | 0.091 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.5 | -35.7 | -179.1 | 58.3 | 0 | 0 | 0 | 0 | 112.8 | M65 R66 N71 I72 A73 Q131 | M65-S69 WeakPolarHBondContact O-CB 3.48Å; M65-S69 PolarHBondContact O-N 3.47Å; M65-S69 PolarHBondContact O-OG 3.09Å; M65-S69 VanDerWaalsContact O-OG 3.08Å; R66-S69 WeakPolarHBondContact CA-OG 3.37Å; R66-S69 PolarHBondContact O-OG 3.12Å; R66-S69 VanDerWaalsContact O-OG 3.11Å; S69-N71 VanDerWaalsContact C-N 3.33Å; S69-N71 PolarHBondContact O-N 3.49Å; S69-I72 PolarHBondContact O-N 3.25Å; S69-A73 WeakPolarHBondContact O-CB 3.39Å; S69-A73 PolarHBondContact O-N 2.75Å; S69-Q131 VanDerWaalsContact CB-OE1 3.24Å; S69-Q131 VanDerWaalsContact OG-CD 3.22Å; S69-Q131 PolarHBondContact OG-NE2 3.42Å; S69-Q131 PolarHBondContact OG-OE1 3.45Å |
| 70 | W | 84.6 | Confident | 80.5 | Confident | 105 Ų | 105 | 74.3 Ų | 74.3 | 40% | 0.398 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 169.6 | -105.1 | 116.9 | 0 | 0 | 0 | 112.7 | R66 I72 A73 L74 V134 | R66-W70 WeakPolarHBondContact O-CB 3.39Å; R66-W70 PolarHBondContact O-N 3.35Å; W70-I72 VanDerWaalsContact C-N 3.33Å; W70-I72 PolarHBondContact O-N 3.15Å; W70-A73 PolarHBondContact O-N 3.47Å; W70-L74 HydrophobicContact CE3-CD1 3.62Å; W70-L74 HydrophobicContact CE3-CD2 4.32Å; W70-L74 HydrophobicContact CE3-CG 3.67Å; W70-L74 HydrophobicContact CZ3-CD1 4Å; W70-L74 HydrophobicContact CZ3-CD2 3.94Å; W70-L74 HydrophobicContact CZ3-CG 3.82Å; W70-L74 WeakPolarHBondContact O-CB 3.48Å; W70-L74 WeakPolarHBondContact O-CG 3.45Å; W70-L74 PolarHBondContact O-N 3.12Å; W70-V134 HydrophobicContact CH2-CG2 4.35Å; W70-V134 HydrophobicContact CZ3-CG1 4.31Å; W70-V134 HydrophobicContact CZ3-CG2 4.48Å |
| 71 | N | 85.9 | Confident | 81.9 | Confident | 68 Ų | 68 | 73.6 Ų | 73.6 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.6 | -36.7 | 174.9 | -83.6 | -64.3 | 0 | 0 | 0 | 112.7 | Q67 R68 S69 G75 R78 | Q67-N71 PolarHBondContact O-N 2.98Å; Q67-N71 VanDerWaalsContact O-N 3.12Å; Q67-N71 PolarHBondContact O-ND2 3.11Å; R68-N71 WeakPolarHBondContact O-CB 3.38Å; R68-N71 PolarHBondContact O-N 3.45Å; R68-N71 VanDerWaalsContact O-N 3.15Å; S69-N71 VanDerWaalsContact C-N 3.33Å; S69-N71 PolarHBondContact O-N 3.49Å; N71-G75 PolarHBondContact O-N 3.03Å; N71-R78 PolarHBondContact O-NH1 3.35Å; N71-R78 PolarHBondContact OD1-NH1 3.48Å; N71-R78 PolarHBondContact OD1-NH2 3.01Å |
| 72 | I | 83.3 | Confident | 82.6 | Confident | 50 Ų | 50 | 74.2 Ų | 74.2 | 26% | 0.256 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.7 | -47 | 175.9 | -65.7 | 166.7 | 0 | 0 | 0 | 110.2 | R68 S69 W70 L74 G75 T119 L122 | R68-I72 HydrophobicContact CG-CD1 4.16Å; R68-I72 WeakPolarHBondContact O-CG1 3.38Å; R68-I72 PolarHBondContact O-N 3.02Å; S69-I72 PolarHBondContact O-N 3.25Å; W70-I72 VanDerWaalsContact C-N 3.33Å; W70-I72 PolarHBondContact O-N 3.15Å; I72-L74 VanDerWaalsContact C-N 3.29Å; I72-L74 PolarHBondContact O-N 3.21Å; I72-G75 PolarHBondContact O-N 2.95Å; I72-T119 HydrophobicContact CG2-CG2 3.71Å; I72-L122 HydrophobicContact CD1-CD2 3.61Å |
| 73 | A | 84.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.8 | -38.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S69 W70 G75 Q131 V134 | S69-A73 WeakPolarHBondContact O-CB 3.39Å; S69-A73 PolarHBondContact O-N 2.75Å; W70-A73 PolarHBondContact O-N 3.47Å; A73-G75 VanDerWaalsContact C-N 3.29Å; A73-G75 PolarHBondContact O-N 2.87Å; A73-Q131 HydrophobicContact CB-CB 4.06Å; A73-Q131 HydrophobicContact CB-CG 4.42Å; A73-Q131 WeakPolarHBondContact CB-O 3.37Å; A73-V134 HydrophobicContact CB-CB 4.37Å; A73-V134 HydrophobicContact CB-CG1 4.26Å |
| 74 | L | 85.9 | Confident | 83.5 | Confident | 62 Ų | 62 | 68.5 Ų | 68.5 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -2.6 | 175.4 | -69.4 | 168.6 | 0 | 0 | 0 | 114 | W70 I72 F77 R78 V134 | W70-L74 HydrophobicContact CE3-CD1 3.62Å; W70-L74 HydrophobicContact CE3-CD2 4.32Å; W70-L74 HydrophobicContact CE3-CG 3.67Å; W70-L74 HydrophobicContact CZ3-CD1 4Å; W70-L74 HydrophobicContact CZ3-CD2 3.94Å; W70-L74 HydrophobicContact CZ3-CG 3.82Å; W70-L74 WeakPolarHBondContact O-CB 3.48Å; W70-L74 WeakPolarHBondContact O-CG 3.45Å; W70-L74 PolarHBondContact O-N 3.12Å; I72-L74 VanDerWaalsContact C-N 3.29Å; I72-L74 PolarHBondContact O-N 3.21Å; L74-F77 HydrophobicContact CD2-CD2 4.36Å; L74-F77 PolarHBondContact O-N 3.39Å; L74-R78 PolarHBondContact O-N 3.48Å; L74-V134 HydrophobicContact CD2-CG1 4.3Å |
| 75 | G | 86.2 | Confident | 83.9 | Confident | 22 Ų | 22 | 71.9 Ų | 71.9 | 23% | 0.227 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -53.2 | -53.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N71 I72 A73 F77 R78 | N71-G75 PolarHBondContact O-N 3.03Å; I72-G75 PolarHBondContact O-N 2.95Å; A73-G75 VanDerWaalsContact C-N 3.29Å; A73-G75 PolarHBondContact O-N 2.87Å; G75-F77 PolarHBondContact O-N 3.2Å; G75-R78 PolarHBondContact O-N 3.1Å |
| 76 | P | 84.2 | Confident | 84.1 | Confident | 7 Ų | 7 | 73.6 Ų | 73.6 | 5% | 0.045 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 177.3 | -24.2 | 34.3 | 0 | 0 | 0 | 112.8 | R78 Q79 V80 Y135 N139 I142 | P76-R78 VanDerWaalsContact C-N 3.27Å; P76-R78 PolarHBondContact O-N 3.46Å; P76-Q79 WeakPolarHBondContact O-CB 3.45Å; P76-Q79 PolarHBondContact O-N 3.25Å; P76-V80 PolarHBondContact O-N 3.46Å; P76-Y135 HydrophobicContact CG-CD2 3.67Å; P76-Y135 HydrophobicContact CG-CE2 3.79Å; P76-N139 WeakPolarHBondContact CG-ND2 3.27Å; P76-I142 HydrophobicContact CB-CD1 3.87Å; P76-I142 WeakPolarHBondContact O-CD1 3.41Å |
| 77 | F | 87.4 | Confident | 84.1 | Confident | 74 Ų | 74 | 69.3 Ų | 69.3 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.5 | -35.9 | 179.3 | -83.5 | -78.9 | 0 | 0 | 0 | 113.5 | L74 G75 Q79 V80 P81 V134 L137 | L74-F77 HydrophobicContact CD2-CD2 4.36Å; L74-F77 PolarHBondContact O-N 3.39Å; G75-F77 PolarHBondContact O-N 3.2Å; F77-Q79 PolarHBondContact O-N 3.25Å; F77-V80 WeakPolarHBondContact O-CB 3.34Å; F77-V80 PolarHBondContact O-N 2.9Å; F77-P81 VanDerWaalsContact O-CD 3.32Å; F77-P81 WeakPolarHBondContact O-CD 3.18Å; F77-V134 HydrophobicContact CD2-CG1 4.03Å; F77-V134 HydrophobicContact CE2-CG1 3.69Å; F77-V134 WeakPolarHBondContact CE2-O 3.32Å; F77-L137 HydrophobicContact CE1-CD2 4.32Å; F77-L137 HydrophobicContact CE2-CD2 4.43Å; F77-L137 HydrophobicContact CZ-CD2 3.55Å |
| 78 | R | 85.8 | Confident | 84.2 | Confident | 147 Ų | 147 | 74 Ų | 74 | 56% | 0.555 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.3 | -24.5 | 176.1 | -68.8 | 174.8 | 179.8 | 149.2 | -0.7 | 113.1 | N71 L74 G75 P76 | N71-R78 PolarHBondContact O-NH1 3.35Å; N71-R78 PolarHBondContact OD1-NH1 3.48Å; N71-R78 PolarHBondContact OD1-NH2 3.01Å; L74-R78 PolarHBondContact O-N 3.48Å; G75-R78 PolarHBondContact O-N 3.1Å; P76-R78 VanDerWaalsContact C-N 3.27Å; P76-R78 PolarHBondContact O-N 3.46Å |
| 79 | Q | 85.8 | Confident | 84 | Confident | 102 Ų | 102 | 73.9 Ų | 73.9 | 48% | 0.477 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -82.3 | -20 | 178.2 | -59.5 | -177.9 | 9.6 | 0 | 0 | 112.6 | P76 F77 M82 N83 I142 | P76-Q79 WeakPolarHBondContact O-CB 3.45Å; P76-Q79 PolarHBondContact O-N 3.25Å; F77-Q79 PolarHBondContact O-N 3.25Å; Q79-M82 PolarHBondContact O-N 3.43Å; Q79-N83 PolarHBondContact O-N 3.31Å; Q79-N83 PolarHBondContact O-ND2 3.34Å; Q79-I142 HydrophobicContact CB-CD1 4.32Å |
| 80 | V | 87.4 | Confident | 83.4 | Confident | 24 Ų | 24 | 75.3 Ų | 75.3 | 15% | 0.145 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.5 | -50.4 | -178.1 | 170.9 | 0 | 0 | 0 | 0 | 112.5 | P76 F77 M82 N83 L84 V141 I142 L145 | P76-V80 PolarHBondContact O-N 3.46Å; F77-V80 WeakPolarHBondContact O-CB 3.34Å; F77-V80 PolarHBondContact O-N 2.9Å; V80-M82 VanDerWaalsContact C-N 3.3Å; V80-M82 PolarHBondContact O-N 3.3Å; V80-N83 PolarHBondContact O-N 3.24Å; V80-L84 WeakPolarHBondContact O-CB 3.44Å; V80-L84 PolarHBondContact O-N 3.24Å; V80-V141 HydrophobicContact CG1-CG1 4.41Å; V80-V141 HydrophobicContact CG2-CG1 4.02Å; V80-I142 HydrophobicContact CG2-CD1 4.41Å; V80-I142 HydrophobicContact CG2-CG1 3.62Å; V80-L145 HydrophobicContact CG1-CD1 3.69Å |
| 81 | P | 88.1 | Confident | 82.4 | Confident | 85 Ų | 85 | 71.9 Ų | 71.9 | 55% | 0.552 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.2 | -37.8 | 178 | -25 | 34.9 | 0 | 0 | 0 | 113.4 | F77 L84 F85 | F77-P81 VanDerWaalsContact O-CD 3.32Å; F77-P81 WeakPolarHBondContact O-CD 3.18Å; P81-L84 PolarHBondContact O-N 3.06Å; P81-F85 VanDerWaalsContact O-CB 3.27Å; P81-F85 WeakPolarHBondContact O-CB 3.48Å; P81-F85 PolarHBondContact O-N 3.21Å |
| 82 | M | 84.8 | Confident | 81.4 | Confident | 107 Ų | 107 | 72.8 Ų | 72.8 | 53% | 0.527 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.5 | -48.2 | 176.9 | -178.5 | -172.3 | 71 | 0 | 0 | 110.9 | Q79 V80 L84 F85 I86 | Q79-M82 PolarHBondContact O-N 3.43Å; V80-M82 VanDerWaalsContact C-N 3.3Å; V80-M82 PolarHBondContact O-N 3.3Å; M82-L84 VanDerWaalsContact C-N 3.34Å; M82-L84 PolarHBondContact O-N 2.96Å; M82-F85 PolarHBondContact O-N 3.18Å; M82-I86 HydrophobicContact CG-CD1 4.24Å; M82-I86 WeakPolarHBondContact O-CG1 3.42Å; M82-I86 PolarHBondContact O-N 3.43Å; M82-I86 VanDerWaalsContact O-N 3.1Å |
| 83 | N | 84.9 | Confident | 80.5 | Confident | 20 Ų | 20 | 74 Ų | 74 | 11% | 0.107 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 178.4 | -70.7 | -45.4 | 0 | 0 | 0 | 112.2 | Q79 V80 I86 M87 L105 | Q79-N83 PolarHBondContact O-N 3.31Å; Q79-N83 PolarHBondContact O-ND2 3.34Å; V80-N83 PolarHBondContact O-N 3.24Å; N83-I86 PolarHBondContact O-N 3.35Å; N83-M87 PolarHBondContact O-N 3.49Å; N83-L105 WeakPolarHBondContact OD1-CD1 3.43Å |
| 84 | L | 84.4 | Confident | 79.5 | Confident | 81 Ų | 81 | 80.5 Ų | 80.5 | 42% | 0.424 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 177.5 | -169.7 | 132.2 | 0 | 0 | 0 | 111.9 | V80 P81 M82 M87 W88 L145 | V80-L84 WeakPolarHBondContact O-CB 3.44Å; V80-L84 PolarHBondContact O-N 3.24Å; P81-L84 PolarHBondContact O-N 3.06Å; M82-L84 VanDerWaalsContact C-N 3.34Å; M82-L84 PolarHBondContact O-N 2.96Å; L84-M87 HydrophobicContact CD1-CE 4.42Å; L84-M87 HydrophobicContact CG-CE 4.28Å; L84-M87 WeakPolarHBondContact O-CB 3.34Å; L84-M87 PolarHBondContact O-N 2.97Å; L84-W88 WeakPolarHBondContact O-CB 3.43Å; L84-W88 PolarHBondContact O-N 3.03Å; L84-L145 HydrophobicContact CD1-CD2 4.37Å |
| 85 | F | 84.2 | Confident | 78.8 | Confident | 128 Ų | 128 | 80.7 Ų | 80.7 | 56% | 0.561 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.8 | -42.1 | 176 | -174.1 | -106.9 | 0 | 0 | 0 | 112.5 | P81 M82 M87 W88 I89 | P81-F85 VanDerWaalsContact O-CB 3.27Å; P81-F85 WeakPolarHBondContact O-CB 3.48Å; P81-F85 PolarHBondContact O-N 3.21Å; M82-F85 PolarHBondContact O-N 3.18Å; F85-M87 VanDerWaalsContact C-N 3.31Å; F85-M87 PolarHBondContact O-N 3Å; F85-W88 WeakPolarHBondContact O-CB 3.25Å; F85-W88 PolarHBondContact O-N 3.44Å; F85-I89 HydrophobicContact CD1-CD1 3.94Å; F85-I89 HydrophobicContact CD2-CD1 4.48Å; F85-I89 HydrophobicContact CE1-CD1 3.28Å; F85-I89 HydrophobicContact CE1-CG1 4.36Å; F85-I89 HydrophobicContact CE2-CD1 3.9Å; F85-I89 HydrophobicContact CE2-CG1 4.45Å; F85-I89 HydrophobicContact CZ-CD1 3.27Å; F85-I89 HydrophobicContact CZ-CG1 4.27Å; F85-I89 PolarHBondContact O-N 3.36Å |
| 86 | I | 78.5 | Confident | 78 | Confident | 93 Ų | 93 | 86.4 Ų | 86.4 | 48% | 0.477 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 174.2 | -65.8 | 162.3 | 0 | 0 | 0 | 110.3 | M82 N83 W88 I89 S90 | M82-I86 HydrophobicContact CG-CD1 4.24Å; M82-I86 WeakPolarHBondContact O-CG1 3.42Å; M82-I86 PolarHBondContact O-N 3.43Å; M82-I86 VanDerWaalsContact O-N 3.1Å; N83-I86 PolarHBondContact O-N 3.35Å; I86-W88 VanDerWaalsContact C-N 3.31Å; I86-W88 PolarHBondContact O-N 2.79Å; I86-I89 PolarHBondContact O-N 3.25Å; I86-S90 WeakPolarHBondContact O-CB 3.46Å; I86-S90 PolarHBondContact O-N 2.91Å |
| 87 | M | 76.8 | Confident | 77.5 | Confident | 44 Ų | 44 | 94.2 Ų | 94.2 | 22% | 0.217 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 175.8 | 167.4 | 166.8 | 82.3 | 0 | 0 | 112.5 | N83 L84 F85 L145 Y148 K149 | N83-M87 PolarHBondContact O-N 3.49Å; L84-M87 HydrophobicContact CD1-CE 4.42Å; L84-M87 HydrophobicContact CG-CE 4.28Å; L84-M87 WeakPolarHBondContact O-CB 3.34Å; L84-M87 PolarHBondContact O-N 2.97Å; F85-M87 VanDerWaalsContact C-N 3.31Å; F85-M87 PolarHBondContact O-N 3Å; M87-L145 HydrophobicContact CE-CD2 4.4Å; M87-Y148 HydrophobicContact CE-CD1 4.36Å; M87-Y148 HydrophobicContact SD-CD1 3.98Å; M87-Y148 HydrophobicContact SD-CE1 4.39Å; M87-K149 HydrophobicContact CB-CD 4.08Å; M87-K149 HydrophobicContact CG-CD 3.59Å; M87-K149 PolarHBondContact O-NZ 3.49Å; M87-K149 HydrophobicContact SD-CB 4.31Å; M87-K149 HydrophobicContact SD-CD 3.91Å |
| 88 | W | 81.5 | Confident | 76.7 | Confident | 210 Ų | 210 | 91.4 Ų | 91.4 | 80% | 0.795 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.1 | -47.6 | 178.5 | -178.2 | -85.4 | 0 | 0 | 0 | 112.1 | L84 F85 I86 | L84-W88 WeakPolarHBondContact O-CB 3.43Å; L84-W88 PolarHBondContact O-N 3.03Å; F85-W88 WeakPolarHBondContact O-CB 3.25Å; F85-W88 PolarHBondContact O-N 3.44Å; I86-W88 VanDerWaalsContact C-N 3.31Å; I86-W88 PolarHBondContact O-N 2.79Å |
| 89 | I | 77.1 | Confident | 76.2 | Confident | 109 Ų | 109 | 87.3 Ų | 87.3 | 56% | 0.559 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -74.8 | -40.5 | -178.1 | -67.8 | -176.9 | 0 | 0 | 0 | 112.4 | F85 I86 G91 | F85-I89 HydrophobicContact CD1-CD1 3.94Å; F85-I89 HydrophobicContact CD2-CD1 4.48Å; F85-I89 HydrophobicContact CE1-CD1 3.28Å; F85-I89 HydrophobicContact CE1-CG1 4.36Å; F85-I89 HydrophobicContact CE2-CD1 3.9Å; F85-I89 HydrophobicContact CE2-CG1 4.45Å; F85-I89 HydrophobicContact CZ-CD1 3.27Å; F85-I89 HydrophobicContact CZ-CG1 4.27Å; F85-I89 PolarHBondContact O-N 3.36Å; I86-I89 PolarHBondContact O-N 3.25Å; I89-G91 PolarHBondContact O-N 3Å |
| 90 | S | 69.6 | Low | 75.8 | Confident | 43 Ų | 43 | 87.9 Ų | 87.9 | 30% | 0.301 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -9.4 | -170.8 | -177.4 | 0 | 0 | 0 | 0 | 114 | I86 | I86-S90 WeakPolarHBondContact O-CB 3.46Å; I86-S90 PolarHBondContact O-N 2.91Å |
| 91 | G | 64.9 | Low | 75.2 | Confident | 34 Ų | 34 | 89.6 Ų | 89.6 | 35% | 0.351 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | -168.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I89 S93 K149 | I89-G91 PolarHBondContact O-N 3Å; G91-S93 VanDerWaalsContact C-N 3.28Å; G91-S93 PolarHBondContact O-N 3.37Å; G91-K149 PolarHBondContact O-NZ 2.95Å |
| 92 | S | 63.9 | Low | 74.7 | Confident | 86 Ų | 86 | 86 Ų | 86 | 60% | 0.601 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 26.4 | 179.6 | -153.3 | 0 | 0 | 0 | 0 | 113.1 | I94 T152 | S92-I94 PolarHBondContact O-N 3.48Å; S92-T152 PolarHBondContact OG-O 3.11Å |
| 93 | S | 64.3 | Low | 74.7 | Confident | 75 Ų | 75 | 84.7 Ų | 84.7 | 52% | 0.524 | 45% | 0.449 | S | S | . | . | trans | -71.8 | 112.6 | -174.8 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | G91 S95 | G91-S93 VanDerWaalsContact C-N 3.28Å; G91-S93 PolarHBondContact O-N 3.37Å; S93-S95 PolarHBondContact O-N 2.87Å | ||
| 94 | I | 63.3 | Low | 74.4 | Confident | 137 Ų | 137 | 88.9 Ų | 88.9 | 70% | 0.703 | 47% | 0.469 | S | S | * | . | trans | -73.8 | 70.5 | 173.7 | -116.9 | 160 | 0 | 0 | 0 | 109.2 | S92 M153 | S92-I94 PolarHBondContact O-N 3.48Å; I94-M153 WeakPolarHBondContact CD1-O 3.36Å | ||
| 95 | S | 70.9 | Confident | 74.2 | Confident | 66 Ų | 66 | 87 Ų | 87 | 46% | 0.462 | 46% | 0.459 | S | S | . | . | trans | -106.4 | 145.2 | 171.9 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | S93 F97 P98 L99 | S93-S95 PolarHBondContact O-N 2.87Å; S95-F97 PolarHBondContact O-N 3.43Å; S95-F97 VanDerWaalsContact O-N 3.17Å; S95-P98 WeakPolarHBondContact O-CD 3.34Å; S95-L99 PolarHBondContact O-N 2.78Å | ||
| 96 | I | 71.1 | Confident | 74.3 | Confident | 143 Ų | 143 | 84 Ų | 84 | 73% | 0.733 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -58.4 | -29.4 | -179.7 | -65.6 | 143.4 | 0 | 0 | 0 | 111.1 | L99 M100 | I96-L99 WeakPolarHBondContact O-CB 3.39Å; I96-L99 PolarHBondContact O-N 3.43Å; I96-M100 PolarHBondContact O-N 2.95Å |
| 97 | F | 72.3 | Confident | 74.6 | Confident | 171 Ų | 171 | 83.8 Ų | 83.8 | 75% | 0.75 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -68.6 | -51.5 | -179.3 | -179.9 | -96.6 | 0 | 0 | 0 | 113.1 | S95 L99 M100 S101 | S95-F97 PolarHBondContact O-N 3.43Å; S95-F97 VanDerWaalsContact O-N 3.17Å; F97-L99 VanDerWaalsContact C-N 3.26Å; F97-L99 PolarHBondContact O-N 3.15Å; F97-M100 PolarHBondContact O-N 3.41Å; F97-S101 PolarHBondContact O-N 3.23Å |
| 98 | P | 70.4 | Confident | 75 | Confident | 15 Ų | 15 | 90.1 Ų | 90.1 | 10% | 0.097 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -53.3 | -38.9 | 168.6 | -29.3 | 31.4 | 0 | 0 | 0 | 114.2 | S95 M100 S101 V102 M153 | S95-P98 WeakPolarHBondContact O-CD 3.34Å; P98-M100 PolarHBondContact O-N 2.83Å; P98-S101 WeakPolarHBondContact CA-OG 3.18Å; P98-S101 PolarHBondContact O-N 3.3Å; P98-S101 VanDerWaalsContact O-N 3.16Å; P98-S101 PolarHBondContact O-OG 3.05Å; P98-V102 VanDerWaalsContact O-CG2 3.29Å; P98-V102 WeakPolarHBondContact O-CG2 3.4Å; P98-V102 PolarHBondContact O-N 3.17Å; P98-M153 HydrophobicContact CB-CE 3.66Å |
| 99 | L | 75.8 | Confident | 75.2 | Confident | 61 Ų | 61 | 80.4 Ų | 80.4 | 32% | 0.319 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -56 | -51.3 | -178.9 | -173.1 | 68.5 | 0 | 0 | 0 | 112.2 | S95 I96 F97 S101 V102 I103 L155 | S95-L99 PolarHBondContact O-N 2.78Å; I96-L99 WeakPolarHBondContact O-CB 3.39Å; I96-L99 PolarHBondContact O-N 3.43Å; F97-L99 VanDerWaalsContact C-N 3.26Å; F97-L99 PolarHBondContact O-N 3.15Å; L99-S101 VanDerWaalsContact C-N 3.31Å; L99-S101 PolarHBondContact O-N 3.07Å; L99-V102 PolarHBondContact O-N 2.91Å; L99-I103 HydrophobicContact CG-CD1 4.36Å; L99-I103 WeakPolarHBondContact O-CG1 3.15Å; L99-I103 PolarHBondContact O-N 3.18Å; L99-I103 VanDerWaalsContact O-N 3.09Å; L99-L155 HydrophobicContact CD1-CB 4.48Å; L99-L155 HydrophobicContact CD1-CD1 3.12Å; L99-L155 HydrophobicContact CD1-CD2 3.46Å; L99-L155 VanDerWaalsContact CD1-CD2 3.46Å; L99-L155 HydrophobicContact CD1-CG 3.8Å |
| 100 | M | 77.9 | Confident | 75.8 | Confident | 113 Ų | 113 | 77.8 Ų | 77.8 | 56% | 0.557 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.3 | -37.7 | 179.2 | -69.6 | -56.7 | -63.2 | 0 | 0 | 112.2 | I96 F97 P98 V102 I103 M104 | I96-M100 PolarHBondContact O-N 2.95Å; F97-M100 PolarHBondContact O-N 3.41Å; P98-M100 PolarHBondContact O-N 2.83Å; M100-V102 VanDerWaalsContact C-N 3.32Å; M100-V102 PolarHBondContact O-N 3.46Å; M100-I103 PolarHBondContact O-N 3.22Å; M100-I103 HydrophobicContact SD-CD1 4.23Å; M100-M104 PolarHBondContact O-N 2.94Å |
| 101 | S | 75.2 | Confident | 76.7 | Confident | 61 Ų | 61 | 82 Ų | 82 | 43% | 0.427 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 177.1 | 78.5 | 0 | 0 | 0 | 0 | 112.1 | F97 P98 L99 L105 | F97-S101 PolarHBondContact O-N 3.23Å; P98-S101 WeakPolarHBondContact CA-OG 3.18Å; P98-S101 PolarHBondContact O-N 3.3Å; P98-S101 VanDerWaalsContact O-N 3.16Å; P98-S101 PolarHBondContact O-OG 3.05Å; L99-S101 VanDerWaalsContact C-N 3.31Å; L99-S101 PolarHBondContact O-N 3.07Å; S101-L105 VanDerWaalsContact O-CB 3.3Å; S101-L105 WeakPolarHBondContact O-CB 3.35Å; S101-L105 PolarHBondContact O-N 3.28Å |
| 102 | V | 77.7 | Confident | 77.8 | Confident | 8 Ų | 8 | 81.6 Ų | 81.6 | 5% | 0.048 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -73.3 | -37 | -179.8 | 175 | 0 | 0 | 0 | 0 | 111.5 | P98 L99 M100 L105 F106 K149 C150 M153 | P98-V102 VanDerWaalsContact O-CG2 3.29Å; P98-V102 WeakPolarHBondContact O-CG2 3.4Å; P98-V102 PolarHBondContact O-N 3.17Å; L99-V102 PolarHBondContact O-N 2.91Å; M100-V102 VanDerWaalsContact C-N 3.32Å; M100-V102 PolarHBondContact O-N 3.46Å; V102-L105 CarbonylContact O-C 3.54Å; V102-L105 WeakPolarHBondContact O-CB 3.32Å; V102-L105 PolarHBondContact O-N 2.98Å; V102-F106 PolarHBondContact O-N 3.43Å; V102-K149 HydrophobicContact CG2-CG 4.16Å; V102-C150 WeakPolarHBondContact CG1-SG 3.37Å; V102-M153 HydrophobicContact CG2-SD 4.06Å |
| 103 | I | 83.1 | Confident | 79 | Confident | 81 Ų | 81 | 79.4 Ų | 79.4 | 42% | 0.415 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 173.7 | -66.2 | 165.4 | 0 | 0 | 0 | 110.5 | L99 M100 L105 F106 L107 | L99-I103 HydrophobicContact CG-CD1 4.36Å; L99-I103 WeakPolarHBondContact O-CG1 3.15Å; L99-I103 PolarHBondContact O-N 3.18Å; L99-I103 VanDerWaalsContact O-N 3.09Å; M100-I103 PolarHBondContact O-N 3.22Å; M100-I103 HydrophobicContact SD-CD1 4.23Å; I103-L105 VanDerWaalsContact C-N 3.28Å; I103-L105 PolarHBondContact O-N 3.32Å; I103-F106 PolarHBondContact O-N 3.04Å; I103-F106 VanDerWaalsContact O-N 3.15Å; I103-L107 HydrophobicContact CG2-CD1 3.9Å; I103-L107 HydrophobicContact CG2-CG 4.38Å; I103-L107 WeakPolarHBondContact O-CG 3.45Å; I103-L107 PolarHBondContact O-N 3.48Å |
| 104 | M | 80.2 | Confident | 80.2 | Confident | 107 Ų | 107 | 82.6 Ų | 82.6 | 53% | 0.527 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.7 | -34.6 | 175.6 | -77.9 | -76.6 | -174.5 | 0 | 0 | 112.1 | M100 F106 L107 R108 | M100-M104 PolarHBondContact O-N 2.94Å; M104-F106 VanDerWaalsContact C-N 3.27Å; M104-F106 PolarHBondContact O-N 2.89Å; M104-L107 PolarHBondContact O-N 3.21Å; M104-R108 VanDerWaalsContact O-CB 3.29Å; M104-R108 WeakPolarHBondContact O-CB 3.47Å; M104-R108 WeakPolarHBondContact O-CG 3.48Å; M104-R108 PolarHBondContact O-N 3.46Å |
| 105 | L | 80.2 | Confident | 81.3 | Confident | 42 Ų | 42 | 78.9 Ų | 78.9 | 22% | 0.22 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.8 | -29.1 | 174.9 | -176.8 | 66.3 | 0 | 0 | 0 | 112.6 | N83 S101 V102 I103 P109 A146 | N83-L105 WeakPolarHBondContact OD1-CD1 3.43Å; S101-L105 VanDerWaalsContact O-CB 3.3Å; S101-L105 WeakPolarHBondContact O-CB 3.35Å; S101-L105 PolarHBondContact O-N 3.28Å; V102-L105 CarbonylContact O-C 3.54Å; V102-L105 WeakPolarHBondContact O-CB 3.32Å; V102-L105 PolarHBondContact O-N 2.98Å; I103-L105 VanDerWaalsContact C-N 3.28Å; I103-L105 PolarHBondContact O-N 3.32Å; L105-P109 WeakPolarHBondContact O-CD 3.28Å; L105-P109 VanDerWaalsContact O-CG 3.26Å; L105-P109 WeakPolarHBondContact O-CG 3.29Å; L105-A146 HydrophobicContact CD2-CB 4.17Å; L105-A146 HydrophobicContact CG-CB 4.11Å |
| 106 | F | 85.1 | Confident | 81.9 | Confident | 66 Ų | 66 | 76 Ų | 76 | 29% | 0.289 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -81 | -44 | 174.4 | -178.4 | -99.3 | 0 | 0 | 0 | 112 | V102 I103 M104 R108 P109 L110 L143 M147 | V102-F106 PolarHBondContact O-N 3.43Å; I103-F106 PolarHBondContact O-N 3.04Å; I103-F106 VanDerWaalsContact O-N 3.15Å; M104-F106 VanDerWaalsContact C-N 3.27Å; M104-F106 PolarHBondContact O-N 2.89Å; F106-R108 VanDerWaalsContact C-N 3.34Å; F106-R108 PolarHBondContact O-N 3.13Å; F106-P109 WeakPolarHBondContact O-CD 3.47Å; F106-L110 HydrophobicContact CD1-CD1 3.63Å; F106-L110 HydrophobicContact CE1-CD1 3.19Å; F106-L110 HydrophobicContact CE1-CG 4.27Å; F106-L110 HydrophobicContact CG-CD1 4.48Å; F106-L110 HydrophobicContact CZ-CD1 3.72Å; F106-L110 HydrophobicContact CZ-CG 4.49Å; F106-L110 WeakPolarHBondContact O-CG 3.41Å; F106-L110 PolarHBondContact O-N 3.48Å; F106-L143 HydrophobicContact CD2-CD1 3.34Å; F106-L143 HydrophobicContact CD2-CG 4.34Å; F106-L143 HydrophobicContact CE2-CD1 3.3Å; F106-L143 HydrophobicContact CE2-CG 4.02Å; F106-L143 HydrophobicContact CG-CD1 4.07Å; F106-L143 HydrophobicContact CZ-CD1 4.01Å; F106-M147 HydrophobicContact CE2-CE 4.37Å |
| 107 | L | 85.7 | Confident | 82.5 | Confident | 87 Ų | 87 | 76.2 Ų | 76.2 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.9 | -31.5 | -179.5 | -68.6 | 176.5 | 0 | 0 | 0 | 112.9 | I103 M104 L110 Q111 | I103-L107 HydrophobicContact CG2-CD1 3.9Å; I103-L107 HydrophobicContact CG2-CG 4.38Å; I103-L107 WeakPolarHBondContact O-CG 3.45Å; I103-L107 PolarHBondContact O-N 3.48Å; M104-L107 PolarHBondContact O-N 3.21Å; L107-L110 PolarHBondContact O-N 2.89Å; L107-Q111 WeakPolarHBondContact O-CB 3.38Å; L107-Q111 PolarHBondContact O-N 2.97Å |
| 108 | R | 85.4 | Confident | 82.9 | Confident | 177 Ų | 177 | 71.4 Ų | 71.4 | 67% | 0.668 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.1 | -54.4 | 179.9 | -82.4 | 175.8 | -178.7 | -152.7 | 1.9 | 113.6 | M104 F106 L110 Q111 A112 | M104-R108 VanDerWaalsContact O-CB 3.29Å; M104-R108 WeakPolarHBondContact O-CB 3.47Å; M104-R108 WeakPolarHBondContact O-CG 3.48Å; M104-R108 PolarHBondContact O-N 3.46Å; F106-R108 VanDerWaalsContact C-N 3.34Å; F106-R108 PolarHBondContact O-N 3.13Å; R108-L110 VanDerWaalsContact C-N 3.28Å; R108-L110 PolarHBondContact O-N 3.33Å; R108-Q111 PolarHBondContact O-N 2.86Å; R108-A112 WeakPolarHBondContact O-CB 3.26Å; R108-A112 PolarHBondContact O-N 3.46Å |
| 109 | P | 85.2 | Confident | 83.2 | Confident | 6 Ų | 6 | 72 Ų | 72 | 4% | 0.039 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.8 | -35.9 | 173.5 | -22.9 | 32.1 | 0 | 0 | 0 | 112.6 | L105 F106 A112 L113 I142 L143 | L105-P109 WeakPolarHBondContact O-CD 3.28Å; L105-P109 VanDerWaalsContact O-CG 3.26Å; L105-P109 WeakPolarHBondContact O-CG 3.29Å; F106-P109 WeakPolarHBondContact O-CD 3.47Å; P109-A112 PolarHBondContact O-N 3.17Å; P109-L113 WeakPolarHBondContact O-CB 3.14Å; P109-L113 VanDerWaalsContact O-CG 3.29Å; P109-L113 WeakPolarHBondContact O-CG 3.31Å; P109-L113 PolarHBondContact O-N 3.41Å; P109-I142 HydrophobicContact CB-CG2 4.44Å; P109-I142 HydrophobicContact CG-CB 4.11Å; P109-I142 HydrophobicContact CG-CG2 3.52Å; P109-L143 HydrophobicContact CB-CB 4.43Å |
| 110 | L | 89.5 | Confident | 83.3 | Confident | 54 Ų | 54 | 72.4 Ų | 72.4 | 28% | 0.283 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 174.2 | -77.2 | 179.6 | 0 | 0 | 0 | 111.8 | F106 L107 R108 A112 L113 L114 L143 | F106-L110 HydrophobicContact CD1-CD1 3.63Å; F106-L110 HydrophobicContact CE1-CD1 3.19Å; F106-L110 HydrophobicContact CE1-CG 4.27Å; F106-L110 HydrophobicContact CG-CD1 4.48Å; F106-L110 HydrophobicContact CZ-CD1 3.72Å; F106-L110 HydrophobicContact CZ-CG 4.49Å; F106-L110 WeakPolarHBondContact O-CG 3.41Å; F106-L110 PolarHBondContact O-N 3.48Å; L107-L110 PolarHBondContact O-N 2.89Å; R108-L110 VanDerWaalsContact C-N 3.28Å; R108-L110 PolarHBondContact O-N 3.33Å; L110-A112 VanDerWaalsContact C-N 3.26Å; L110-A112 PolarHBondContact O-N 3.5Å; L110-L113 PolarHBondContact O-N 2.93Å; L110-L114 WeakPolarHBondContact O-CG 3.33Å; L110-L114 PolarHBondContact O-N 2.87Å; L110-L143 HydrophobicContact CD2-CD1 4.09Å; L110-L143 HydrophobicContact CD2-CD2 3.91Å; L110-L143 HydrophobicContact CG-CD1 3.84Å |
| 111 | Q | 89.4 | Confident | 83.3 | Confident | 132 Ų | 132 | 73.1 Ų | 73.1 | 62% | 0.617 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.4 | -37.4 | 175.3 | -173.4 | 179.4 | 2.4 | 0 | 0 | 111.3 | L107 R108 L114 S115 | L107-Q111 WeakPolarHBondContact O-CB 3.38Å; L107-Q111 PolarHBondContact O-N 2.97Å; R108-Q111 PolarHBondContact O-N 2.86Å; Q111-L114 PolarHBondContact O-N 3.46Å; Q111-S115 VanDerWaalsContact O-CB 3.28Å; Q111-S115 WeakPolarHBondContact O-CB 3.37Å; Q111-S115 PolarHBondContact O-N 3.29Å; Q111-S115 PolarHBondContact O-OG 3.44Å |
| 112 | A | 87.2 | Confident | 83 | Confident | 25 Ų | 25 | 75 Ų | 75 | 21% | 0.207 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.1 | -33.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R108 P109 L110 A116 Y135 N139 | R108-A112 WeakPolarHBondContact O-CB 3.26Å; R108-A112 PolarHBondContact O-N 3.46Å; P109-A112 PolarHBondContact O-N 3.17Å; L110-A112 VanDerWaalsContact C-N 3.26Å; L110-A112 PolarHBondContact O-N 3.5Å; A112-A116 PolarHBondContact O-N 3.45Å; A112-A116 VanDerWaalsContact O-N 3.15Å; A112-Y135 PolarHBondContact O-OH 2.9Å; A112-N139 WeakPolarHBondContact CB-OD1 3.34Å |
| 113 | L | 88.6 | Confident | 82.6 | Confident | 40 Ų | 40 | 75 Ų | 75 | 21% | 0.209 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -71 | -43.6 | 172.2 | -74.9 | 167.9 | 0 | 0 | 0 | 111.6 | P109 L110 S115 A116 V136 N139 L140 L143 | P109-L113 WeakPolarHBondContact O-CB 3.14Å; P109-L113 VanDerWaalsContact O-CG 3.29Å; P109-L113 WeakPolarHBondContact O-CG 3.31Å; P109-L113 PolarHBondContact O-N 3.41Å; L110-L113 PolarHBondContact O-N 2.93Å; L113-S115 VanDerWaalsContact C-N 3.31Å; L113-S115 PolarHBondContact O-N 3.31Å; L113-A116 WeakPolarHBondContact O-CB 3.41Å; L113-A116 PolarHBondContact O-N 2.83Å; L113-V136 HydrophobicContact CD2-CB 4.44Å; L113-V136 HydrophobicContact CD2-CG1 4.08Å; L113-V136 HydrophobicContact CD2-CG2 4.44Å; L113-N139 HydrophobicContact CD1-CB 4.17Å; L113-N139 HydrophobicContact CD2-CB 3.63Å; L113-N139 HydrophobicContact CG-CB 3.68Å; L113-L140 HydrophobicContact CD1-CD2 4.25Å; L113-L143 HydrophobicContact CD1-CD2 4.48Å |
| 114 | L | 89.1 | Confident | 81.8 | Confident | 142 Ų | 142 | 78.7 Ų | 78.7 | 74% | 0.743 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65 | -36.6 | 175.8 | -67.9 | 174 | 0 | 0 | 0 | 111.8 | L110 Q111 A116 | L110-L114 WeakPolarHBondContact O-CG 3.33Å; L110-L114 PolarHBondContact O-N 2.87Å; Q111-L114 PolarHBondContact O-N 3.46Å; L114-A116 VanDerWaalsContact C-N 3.26Å; L114-A116 PolarHBondContact O-N 3.15Å |
| 115 | S | 87.1 | Confident | 81.1 | Confident | 60 Ų | 60 | 76 Ų | 76 | 42% | 0.42 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 5.2 | 176.6 | -47.9 | 0 | 0 | 0 | 0 | 113.2 | Q111 L113 Q117 A118 | Q111-S115 VanDerWaalsContact O-CB 3.28Å; Q111-S115 WeakPolarHBondContact O-CB 3.37Å; Q111-S115 PolarHBondContact O-N 3.29Å; Q111-S115 PolarHBondContact O-OG 3.44Å; L113-S115 VanDerWaalsContact C-N 3.31Å; L113-S115 PolarHBondContact O-N 3.31Å; S115-Q117 PolarHBondContact O-N 3.17Å; S115-A118 PolarHBondContact O-N 2.94Å |
| 116 | A | 84.7 | Confident | 80.6 | Confident | 5 Ų | 5 | 79.5 Ų | 79.5 | 4% | 0.041 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.5 | -30.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112 | A112 L113 L114 A118 T119 F120 Y135 | A112-A116 PolarHBondContact O-N 3.45Å; A112-A116 VanDerWaalsContact O-N 3.15Å; L113-A116 WeakPolarHBondContact O-CB 3.41Å; L113-A116 PolarHBondContact O-N 2.83Å; L114-A116 VanDerWaalsContact C-N 3.26Å; L114-A116 PolarHBondContact O-N 3.15Å; A116-A118 VanDerWaalsContact C-N 3.29Å; A116-A118 PolarHBondContact O-N 3.37Å; A116-T119 CarbonylContact O-C 3.59Å; A116-T119 WeakPolarHBondContact O-CA 3.18Å; A116-T119 WeakPolarHBondContact O-CB 3.44Å; A116-T119 PolarHBondContact O-N 3.36Å; A116-F120 HydrophobicContact CB-CD2 4.47Å; A116-F120 HydrophobicContact CB-CE1 4.09Å; A116-F120 HydrophobicContact CB-CE2 3.81Å; A116-F120 HydrophobicContact CB-CZ 3.61Å; A116-F120 WeakPolarHBondContact O-CD1 3.41Å; A116-F120 WeakPolarHBondContact O-CD2 3.43Å; A116-F120 WeakPolarHBondContact O-CG 3.29Å; A116-F120 PolarHBondContact O-N 3.05Å; A116-Y135 HydrophobicContact CB-CD1 4.24Å; A116-Y135 HydrophobicContact CB-CE1 3.74Å |
| 117 | Q | 82.2 | Confident | 80.1 | Confident | 148 Ų | 148 | 80.4 Ų | 80.4 | 69% | 0.692 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -56.6 | -40.8 | 177.1 | -62.3 | -177.8 | 5.4 | 0 | 0 | 112.5 | S115 T119 F120 N121 | S115-Q117 PolarHBondContact O-N 3.17Å; Q117-T119 VanDerWaalsContact C-N 3.28Å; Q117-T119 PolarHBondContact O-N 2.67Å; Q117-F120 PolarHBondContact O-N 3.16Å; Q117-N121 PolarHBondContact O-N 2.94Å; Q117-N121 VanDerWaalsContact O-N 3.07Å |
| 118 | A | 80.2 | Confident | 79.8 | Confident | 69 Ų | 69 | 77.2 Ų | 77.2 | 57% | 0.57 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.3 | -32.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | S115 A116 L122 | S115-A118 PolarHBondContact O-N 2.94Å; A116-A118 VanDerWaalsContact C-N 3.29Å; A116-A118 PolarHBondContact O-N 3.37Å; A118-L122 PolarHBondContact O-N 3.31Å |
| 119 | T | 77 | Confident | 79.6 | Confident | 29 Ų | 29 | 74 Ų | 74 | 18% | 0.178 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -74 | -37.2 | 176 | -52.4 | 0 | 0 | 0 | 0 | 111.1 | I72 A116 Q117 N121 L122 I123 | I72-T119 HydrophobicContact CG2-CG2 3.71Å; A116-T119 CarbonylContact O-C 3.59Å; A116-T119 WeakPolarHBondContact O-CA 3.18Å; A116-T119 WeakPolarHBondContact O-CB 3.44Å; A116-T119 PolarHBondContact O-N 3.36Å; Q117-T119 VanDerWaalsContact C-N 3.28Å; Q117-T119 PolarHBondContact O-N 2.67Å; T119-N121 VanDerWaalsContact C-N 3.32Å; T119-N121 PolarHBondContact O-N 3.31Å; T119-L122 WeakPolarHBondContact O-CB 2.82Å; T119-L122 PolarHBondContact O-N 3.4Å; T119-L122 VanDerWaalsContact O-N 3.11Å; T119-I123 HydrophobicContact CG2-CD1 4.07Å; T119-I123 WeakPolarHBondContact O-CG1 3.26Å; T119-I123 PolarHBondContact O-N 3.42Å |
| 120 | F | 79.6 | Confident | 79.7 | Confident | 68 Ų | 68 | 77.8 Ų | 77.8 | 30% | 0.298 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.7 | -36 | 177.1 | -58.7 | -21.4 | 0 | 0 | 0 | 111.7 | A116 Q117 L122 I123 C132 Y135 V136 | A116-F120 HydrophobicContact CB-CD2 4.47Å; A116-F120 HydrophobicContact CB-CE1 4.09Å; A116-F120 HydrophobicContact CB-CE2 3.81Å; A116-F120 HydrophobicContact CB-CZ 3.61Å; A116-F120 WeakPolarHBondContact O-CD1 3.41Å; A116-F120 WeakPolarHBondContact O-CD2 3.43Å; A116-F120 WeakPolarHBondContact O-CG 3.29Å; A116-F120 PolarHBondContact O-N 3.05Å; Q117-F120 PolarHBondContact O-N 3.16Å; F120-L122 VanDerWaalsContact C-N 3.25Å; F120-L122 PolarHBondContact O-N 3.4Å; F120-I123 PolarHBondContact O-N 2.93Å; F120-C132 HydrophobicContact CD1-CB 3.76Å; F120-C132 WeakPolarHBondContact CD1-SG 3.3Å; F120-C132 HydrophobicContact CE1-CB 3.44Å; F120-C132 VanDerWaalsContact CE1-CB 3.44Å; F120-C132 VanDerWaalsContact CE1-SG 3.55Å; F120-C132 HydrophobicContact CZ-CB 3.97Å; F120-Y135 HydrophobicContact CE1-CD1 4.21Å; F120-V136 HydrophobicContact CZ-CG2 3.88Å |
| 121 | N | 76.9 | Confident | 79.5 | Confident | 129 Ų | 129 | 75.5 Ų | 75.5 | 69% | 0.69 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.8 | -26 | 172.5 | -71.6 | -19.2 | 0 | 0 | 0 | 113.3 | Q117 T119 I123 | Q117-N121 PolarHBondContact O-N 2.94Å; Q117-N121 VanDerWaalsContact O-N 3.07Å; T119-N121 VanDerWaalsContact C-N 3.32Å; T119-N121 PolarHBondContact O-N 3.31Å; N121-I123 VanDerWaalsContact C-N 3.31Å |
| 122 | L | 69.4 | Low | 79.3 | Confident | 100 Ų | 100 | 70.3 Ų | 70.3 | 52% | 0.524 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -79.1 | -17.3 | 177.2 | -160.7 | 98.3 | 0 | 0 | 0 | 112.4 | I72 A118 T119 F120 | I72-L122 HydrophobicContact CD1-CD2 3.61Å; A118-L122 PolarHBondContact O-N 3.31Å; T119-L122 WeakPolarHBondContact O-CB 2.82Å; T119-L122 PolarHBondContact O-N 3.4Å; T119-L122 VanDerWaalsContact O-N 3.11Å; F120-L122 VanDerWaalsContact C-N 3.25Å; F120-L122 PolarHBondContact O-N 3.4Å |
| 123 | I | 68.1 | Low | 79.4 | Confident | 9 Ų | 9 | 75.4 Ų | 75.4 | 5% | 0.046 | 43% | 0.425 | C | S | . | . | trans | -104.1 | 80.9 | -173.8 | -59.4 | 167.3 | 0 | 0 | 0 | 108.4 | T119 F120 N121 A128 Q131 | T119-I123 HydrophobicContact CG2-CD1 4.07Å; T119-I123 WeakPolarHBondContact O-CG1 3.26Å; T119-I123 PolarHBondContact O-N 3.42Å; F120-I123 PolarHBondContact O-N 2.93Å; N121-I123 VanDerWaalsContact C-N 3.31Å; I123-A128 HydrophobicContact CG2-CB 3.93Å; I123-A128 WeakPolarHBondContact O-CB 3.42Å; I123-Q131 HydrophobicContact CG2-CB 4.3Å | ||
| 124 | E | 66.3 | Low | 79.5 | Confident | 158 Ų | 158 | 74.7 Ų | 74.7 | 74% | 0.738 | 42% | 0.422 | S | S | * | . | trans | -89.7 | 120.3 | 170.8 | -65.5 | -175.7 | 165.6 | 0 | 0 | 109.8 | ||||
| 125 | G | 66.5 | Low | 79.5 | Confident | 51 Ų | 51 | 69.1 Ų | 69.1 | 53% | 0.526 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 161.7 | 161.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q127 A128 | G125-Q127 PolarHBondContact O-N 3.19Å; G125-A128 VanDerWaalsContact O-CB 3.25Å; G125-A128 WeakPolarHBondContact O-CB 3.29Å; G125-A128 PolarHBondContact O-N 3.44Å |
| 126 | S | 68.8 | Low | 79.6 | Confident | 115 Ų | 115 | 68.5 Ų | 68.5 | 80% | 0.804 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -20 | -179.5 | 165.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 127 | Q | 75 | Confident | 80 | Confident | 84 Ų | 84 | 71.4 Ų | 71.4 | 39% | 0.393 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 11.6 | -178.7 | -60.6 | -66.5 | -15.4 | 0 | 0 | 113 | G125 T129 I130 Q131 | G125-Q127 PolarHBondContact O-N 3.19Å; Q127-T129 VanDerWaalsContact C-N 3.34Å; Q127-T129 PolarHBondContact O-N 3.47Å; Q127-I130 PolarHBondContact O-N 3.24Å; Q127-Q131 WeakPolarHBondContact O-CG 3.4Å; Q127-Q131 PolarHBondContact O-N 2.93Å |
| 128 | A | 79.1 | Confident | 80.4 | Confident | 21 Ų | 21 | 64.4 Ų | 64.4 | 17% | 0.174 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.9 | -41.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I123 G125 I130 Q131 C132 | I123-A128 HydrophobicContact CG2-CB 3.93Å; I123-A128 WeakPolarHBondContact O-CB 3.42Å; G125-A128 VanDerWaalsContact O-CB 3.25Å; G125-A128 WeakPolarHBondContact O-CB 3.29Å; G125-A128 PolarHBondContact O-N 3.44Å; A128-I130 PolarHBondContact O-N 3.4Å; A128-Q131 PolarHBondContact O-N 2.85Å; A128-Q131 VanDerWaalsContact O-N 3.15Å; A128-C132 WeakPolarHBondContact O-CB 3.46Å; A128-C132 PolarHBondContact O-N 3.09Å; A128-C132 PolarHBondContact O-SG 3.15Å |
| 129 | T | 81.8 | Confident | 80.9 | Confident | 109 Ų | 109 | 61.4 Ų | 61.4 | 67% | 0.669 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.4 | -44.8 | -177.5 | 51 | 0 | 0 | 0 | 0 | 113.1 | Q127 C132 F133 | Q127-T129 VanDerWaalsContact C-N 3.34Å; Q127-T129 PolarHBondContact O-N 3.47Å; T129-C132 PolarHBondContact O-N 3.19Å; T129-F133 WeakPolarHBondContact O-CB 3.15Å; T129-F133 PolarHBondContact O-N 3.46Å |
| 130 | I | 86.9 | Confident | 81.6 | Confident | 86 Ų | 86 | 64.3 Ų | 64.3 | 44% | 0.441 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 177.7 | -68.4 | 157.7 | 0 | 0 | 0 | 110.3 | Q127 A128 F133 V134 | Q127-I130 PolarHBondContact O-N 3.24Å; A128-I130 PolarHBondContact O-N 3.4Å; I130-F133 PolarHBondContact O-N 3.49Å; I130-V134 HydrophobicContact CG2-CG2 4.43Å; I130-V134 VanDerWaalsContact O-CG2 3.26Å; I130-V134 WeakPolarHBondContact O-CG2 3.45Å; I130-V134 PolarHBondContact O-N 2.97Å |
| 131 | Q | 84.7 | Confident | 82.2 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 2% | 0.023 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 178.3 | -68 | 176.1 | -25.3 | 0 | 0 | 111.8 | S69 A73 I123 Q127 A128 V134 Y135 | S69-Q131 VanDerWaalsContact CB-OE1 3.24Å; S69-Q131 VanDerWaalsContact OG-CD 3.22Å; S69-Q131 PolarHBondContact OG-NE2 3.42Å; S69-Q131 PolarHBondContact OG-OE1 3.45Å; A73-Q131 HydrophobicContact CB-CB 4.06Å; A73-Q131 HydrophobicContact CB-CG 4.42Å; A73-Q131 WeakPolarHBondContact CB-O 3.37Å; I123-Q131 HydrophobicContact CG2-CB 4.3Å; Q127-Q131 WeakPolarHBondContact O-CG 3.4Å; Q127-Q131 PolarHBondContact O-N 2.93Å; A128-Q131 PolarHBondContact O-N 2.85Å; A128-Q131 VanDerWaalsContact O-N 3.15Å; Q131-V134 PolarHBondContact O-N 3.29Å; Q131-Y135 WeakPolarHBondContact O-CB 3.35Å; Q131-Y135 PolarHBondContact O-N 3.4Å |
| 132 | C | 85.7 | Confident | 82.7 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 16% | 0.155 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 173 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | F120 A128 T129 V134 Y135 V136 | F120-C132 HydrophobicContact CD1-CB 3.76Å; F120-C132 WeakPolarHBondContact CD1-SG 3.3Å; F120-C132 HydrophobicContact CE1-CB 3.44Å; F120-C132 VanDerWaalsContact CE1-CB 3.44Å; F120-C132 VanDerWaalsContact CE1-SG 3.55Å; F120-C132 HydrophobicContact CZ-CB 3.97Å; A128-C132 WeakPolarHBondContact O-CB 3.46Å; A128-C132 PolarHBondContact O-N 3.09Å; A128-C132 PolarHBondContact O-SG 3.15Å; T129-C132 PolarHBondContact O-N 3.19Å; C132-V134 PolarHBondContact O-N 3.27Å; C132-Y135 PolarHBondContact O-N 3.41Å; C132-V136 WeakPolarHBondContact O-CG2 3.41Å; C132-V136 PolarHBondContact O-N 3.44Å |
| 133 | F | 89.8 | Confident | 83.7 | Confident | 133 Ų | 133 | 53.8 Ų | 53.8 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.7 | -46 | 177.7 | -178.3 | -99.4 | 0 | 0 | 0 | 112 | T129 I130 Y135 V136 L137 | T129-F133 WeakPolarHBondContact O-CB 3.15Å; T129-F133 PolarHBondContact O-N 3.46Å; I130-F133 PolarHBondContact O-N 3.49Å; F133-Y135 VanDerWaalsContact C-N 3.35Å; F133-Y135 PolarHBondContact O-N 3.4Å; F133-V136 PolarHBondContact O-N 3.47Å; F133-L137 HydrophobicContact CE1-CD1 3.72Å; F133-L137 HydrophobicContact CZ-CD1 3.82Å; F133-L137 VanDerWaalsContact O-CB 3.31Å; F133-L137 WeakPolarHBondContact O-CB 3.39Å; F133-L137 PolarHBondContact O-N 2.93Å |
| 134 | V | 90.2 | Very high | 84.8 | Confident | 24 Ų | 24 | 56.2 Ų | 56.2 | 15% | 0.145 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | W70 A73 L74 F77 I130 Q131 C132 L137 G138 | W70-V134 HydrophobicContact CH2-CG2 4.35Å; W70-V134 HydrophobicContact CZ3-CG1 4.31Å; W70-V134 HydrophobicContact CZ3-CG2 4.48Å; A73-V134 HydrophobicContact CB-CB 4.37Å; A73-V134 HydrophobicContact CB-CG1 4.26Å; L74-V134 HydrophobicContact CD2-CG1 4.3Å; F77-V134 HydrophobicContact CD2-CG1 4.03Å; F77-V134 HydrophobicContact CE2-CG1 3.69Å; F77-V134 WeakPolarHBondContact CE2-O 3.32Å; I130-V134 HydrophobicContact CG2-CG2 4.43Å; I130-V134 VanDerWaalsContact O-CG2 3.26Å; I130-V134 WeakPolarHBondContact O-CG2 3.45Å; I130-V134 PolarHBondContact O-N 2.97Å; Q131-V134 PolarHBondContact O-N 3.29Å; C132-V134 PolarHBondContact O-N 3.27Å; V134-L137 PolarHBondContact O-N 2.81Å; V134-G138 PolarHBondContact O-N 2.89Å |
| 135 | Y | 88.7 | Confident | 85.8 | Confident | 25 Ų | 25 | 50.6 Ų | 50.6 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 176.5 | 177.2 | -96.1 | 0 | 0 | 0 | 112.4 | P76 A112 A116 F120 Q131 C132 F133 G138 N139 | P76-Y135 HydrophobicContact CG-CD2 3.67Å; P76-Y135 HydrophobicContact CG-CE2 3.79Å; A112-Y135 PolarHBondContact O-OH 2.9Å; A116-Y135 HydrophobicContact CB-CD1 4.24Å; A116-Y135 HydrophobicContact CB-CE1 3.74Å; F120-Y135 HydrophobicContact CE1-CD1 4.21Å; Q131-Y135 WeakPolarHBondContact O-CB 3.35Å; Q131-Y135 PolarHBondContact O-N 3.4Å; C132-Y135 PolarHBondContact O-N 3.41Å; F133-Y135 VanDerWaalsContact C-N 3.35Å; F133-Y135 PolarHBondContact O-N 3.4Å; Y135-G138 PolarHBondContact O-N 3.19Å; Y135-N139 WeakPolarHBondContact CE1-ND2 3.09Å; Y135-N139 VanDerWaalsContact CZ-ND2 3.33Å; Y135-N139 PolarHBondContact O-N 3.2Å; Y135-N139 VanDerWaalsContact O-N 3.13Å; Y135-N139 PolarHBondContact O-ND2 3.39Å |
| 136 | V | 90.7 | Very high | 86.7 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 29% | 0.285 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 177.9 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | L113 F120 C132 F133 G138 N139 L140 | L113-V136 HydrophobicContact CD2-CB 4.44Å; L113-V136 HydrophobicContact CD2-CG1 4.08Å; L113-V136 HydrophobicContact CD2-CG2 4.44Å; F120-V136 HydrophobicContact CZ-CG2 3.88Å; C132-V136 WeakPolarHBondContact O-CG2 3.41Å; C132-V136 PolarHBondContact O-N 3.44Å; F133-V136 PolarHBondContact O-N 3.47Å; V136-G138 VanDerWaalsContact C-N 3.33Å; V136-G138 PolarHBondContact O-N 3.38Å; V136-N139 PolarHBondContact O-N 2.86Å; V136-L140 HydrophobicContact CG1-CD1 4.02Å; V136-L140 HydrophobicContact CG1-CG 4.29Å; V136-L140 WeakPolarHBondContact O-CG 3.29Å; V136-L140 PolarHBondContact O-N 3.16Å |
| 137 | L | 92.5 | Very high | 87.5 | Confident | 67 Ų | 67 | 47.4 Ų | 47.4 | 35% | 0.351 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 179.5 | -164.8 | 145.1 | 0 | 0 | 0 | 111.4 | F77 F133 V134 N139 L140 V141 | F77-L137 HydrophobicContact CE1-CD2 4.32Å; F77-L137 HydrophobicContact CE2-CD2 4.43Å; F77-L137 HydrophobicContact CZ-CD2 3.55Å; F133-L137 HydrophobicContact CE1-CD1 3.72Å; F133-L137 HydrophobicContact CZ-CD1 3.82Å; F133-L137 VanDerWaalsContact O-CB 3.31Å; F133-L137 WeakPolarHBondContact O-CB 3.39Å; F133-L137 PolarHBondContact O-N 2.93Å; V134-L137 PolarHBondContact O-N 2.81Å; L137-N139 PolarHBondContact O-N 3.44Å; L137-L140 PolarHBondContact O-N 2.98Å; L137-V141 HydrophobicContact CD2-CG2 4.03Å; L137-V141 VanDerWaalsContact O-CG2 3.3Å; L137-V141 WeakPolarHBondContact O-CG2 3.42Å; L137-V141 PolarHBondContact O-N 3.32Å |
| 138 | G | 89.8 | Confident | 88 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V134 Y135 V136 V141 I142 | V134-G138 PolarHBondContact O-N 2.89Å; Y135-G138 PolarHBondContact O-N 3.19Å; V136-G138 VanDerWaalsContact C-N 3.33Å; V136-G138 PolarHBondContact O-N 3.38Å; G138-V141 PolarHBondContact O-N 3.17Å; G138-I142 WeakPolarHBondContact O-CG1 3.5Å; G138-I142 PolarHBondContact O-N 3.46Å |
| 139 | N | 91 | Very high | 88.1 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.1 | -38.5 | 175.2 | -78.1 | -75.7 | 0 | 0 | 0 | 112.6 | P76 A112 L113 Y135 V136 L137 V141 I142 L143 | P76-N139 WeakPolarHBondContact CG-ND2 3.27Å; A112-N139 WeakPolarHBondContact CB-OD1 3.34Å; L113-N139 HydrophobicContact CD1-CB 4.17Å; L113-N139 HydrophobicContact CD2-CB 3.63Å; L113-N139 HydrophobicContact CG-CB 3.68Å; Y135-N139 WeakPolarHBondContact CE1-ND2 3.09Å; Y135-N139 VanDerWaalsContact CZ-ND2 3.33Å; Y135-N139 PolarHBondContact O-N 3.2Å; Y135-N139 VanDerWaalsContact O-N 3.13Å; Y135-N139 PolarHBondContact O-ND2 3.39Å; V136-N139 PolarHBondContact O-N 2.86Å; L137-N139 PolarHBondContact O-N 3.44Å; N139-V141 VanDerWaalsContact C-N 3.34Å; N139-I142 PolarHBondContact O-N 2.91Å; N139-L143 WeakPolarHBondContact O-CB 3.49Å; N139-L143 PolarHBondContact O-N 3.43Å |
| 140 | L | 92.3 | Very high | 88 | Confident | 90 Ų | 90 | 45.4 Ų | 45.4 | 47% | 0.471 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.1 | -39.5 | 175.1 | -72.7 | 177.4 | 0 | 0 | 0 | 112.1 | L113 V136 L137 L143 A144 | L113-L140 HydrophobicContact CD1-CD2 4.25Å; V136-L140 HydrophobicContact CG1-CD1 4.02Å; V136-L140 HydrophobicContact CG1-CG 4.29Å; V136-L140 WeakPolarHBondContact O-CG 3.29Å; V136-L140 PolarHBondContact O-N 3.16Å; L137-L140 PolarHBondContact O-N 2.98Å; L140-L143 PolarHBondContact O-N 3.32Å; L140-A144 VanDerWaalsContact O-CB 3.31Å; L140-A144 WeakPolarHBondContact O-CB 3.3Å; L140-A144 PolarHBondContact O-N 3.38Å |
| 141 | V | 91.7 | Very high | 87.8 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 30% | 0.303 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.7 | -45 | 175 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | V80 L137 G138 N139 L143 A144 L145 | V80-V141 HydrophobicContact CG1-CG1 4.41Å; V80-V141 HydrophobicContact CG2-CG1 4.02Å; L137-V141 HydrophobicContact CD2-CG2 4.03Å; L137-V141 VanDerWaalsContact O-CG2 3.3Å; L137-V141 WeakPolarHBondContact O-CG2 3.42Å; L137-V141 PolarHBondContact O-N 3.32Å; G138-V141 PolarHBondContact O-N 3.17Å; N139-V141 VanDerWaalsContact C-N 3.34Å; V141-L143 VanDerWaalsContact C-N 3.33Å; V141-L143 PolarHBondContact O-N 2.95Å; V141-A144 PolarHBondContact O-N 2.83Å; V141-L145 HydrophobicContact CG1-CD1 4.12Å; V141-L145 WeakPolarHBondContact O-CB 3.37Å; V141-L145 VanDerWaalsContact O-CG 3.29Å; V141-L145 WeakPolarHBondContact O-CG 3.25Å; V141-L145 PolarHBondContact O-N 3.33Å |
| 142 | I | 88.4 | Confident | 87.4 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 176.2 | -60 | 164.5 | 0 | 0 | 0 | 110.7 | P76 Q79 V80 P109 G138 N139 L145 A146 | P76-I142 HydrophobicContact CB-CD1 3.87Å; P76-I142 WeakPolarHBondContact O-CD1 3.41Å; Q79-I142 HydrophobicContact CB-CD1 4.32Å; V80-I142 HydrophobicContact CG2-CD1 4.41Å; V80-I142 HydrophobicContact CG2-CG1 3.62Å; P109-I142 HydrophobicContact CB-CG2 4.44Å; P109-I142 HydrophobicContact CG-CB 4.11Å; P109-I142 HydrophobicContact CG-CG2 3.52Å; G138-I142 WeakPolarHBondContact O-CG1 3.5Å; G138-I142 PolarHBondContact O-N 3.46Å; N139-I142 PolarHBondContact O-N 2.91Å; I142-L145 PolarHBondContact O-N 2.88Å; I142-A146 WeakPolarHBondContact O-CB 3.46Å; I142-A146 PolarHBondContact O-N 2.92Å |
| 143 | L | 90.1 | Very high | 86.9 | Confident | 22 Ų | 22 | 48 Ų | 48 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 178 | -171.2 | 68.4 | 0 | 0 | 0 | 111.7 | F106 P109 L110 L113 N139 L140 V141 A146 M147 | F106-L143 HydrophobicContact CD2-CD1 3.34Å; F106-L143 HydrophobicContact CD2-CG 4.34Å; F106-L143 HydrophobicContact CE2-CD1 3.3Å; F106-L143 HydrophobicContact CE2-CG 4.02Å; F106-L143 HydrophobicContact CG-CD1 4.07Å; F106-L143 HydrophobicContact CZ-CD1 4.01Å; P109-L143 HydrophobicContact CB-CB 4.43Å; L110-L143 HydrophobicContact CD2-CD1 4.09Å; L110-L143 HydrophobicContact CD2-CD2 3.91Å; L110-L143 HydrophobicContact CG-CD1 3.84Å; L113-L143 HydrophobicContact CD1-CD2 4.48Å; N139-L143 WeakPolarHBondContact O-CB 3.49Å; N139-L143 PolarHBondContact O-N 3.43Å; L140-L143 PolarHBondContact O-N 3.32Å; V141-L143 VanDerWaalsContact C-N 3.33Å; V141-L143 PolarHBondContact O-N 2.95Å; L143-A146 PolarHBondContact O-N 3.29Å; L143-M147 WeakPolarHBondContact O-CB 3.31Å; L143-M147 PolarHBondContact O-N 2.87Å |
| 144 | A | 90.3 | Very high | 86 | Confident | 59 Ų | 59 | 44 Ų | 44 | 49% | 0.488 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L140 V141 M147 Y148 | L140-A144 VanDerWaalsContact O-CB 3.31Å; L140-A144 WeakPolarHBondContact O-CB 3.3Å; L140-A144 PolarHBondContact O-N 3.38Å; V141-A144 PolarHBondContact O-N 2.83Å; A144-M147 PolarHBondContact O-N 3.49Å; A144-Y148 WeakPolarHBondContact O-CB 3.45Å; A144-Y148 PolarHBondContact O-N 3.37Å |
| 145 | L | 87.6 | Confident | 85.1 | Confident | 41 Ų | 41 | 46.2 Ų | 46.2 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 174 | -72.8 | 170.3 | 0 | 0 | 0 | 112.1 | V80 L84 M87 V141 I142 Y148 K149 | V80-L145 HydrophobicContact CG1-CD1 3.69Å; L84-L145 HydrophobicContact CD1-CD2 4.37Å; M87-L145 HydrophobicContact CE-CD2 4.4Å; V141-L145 HydrophobicContact CG1-CD1 4.12Å; V141-L145 WeakPolarHBondContact O-CB 3.37Å; V141-L145 VanDerWaalsContact O-CG 3.29Å; V141-L145 WeakPolarHBondContact O-CG 3.25Å; V141-L145 PolarHBondContact O-N 3.33Å; I142-L145 PolarHBondContact O-N 2.88Å; L145-Y148 PolarHBondContact O-N 3.32Å; L145-K149 PolarHBondContact O-N 2.96Å |
| 146 | A | 84.9 | Confident | 84.4 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L105 I142 L143 K149 C150 | L105-A146 HydrophobicContact CD2-CB 4.17Å; L105-A146 HydrophobicContact CG-CB 4.11Å; I142-A146 WeakPolarHBondContact O-CB 3.46Å; I142-A146 PolarHBondContact O-N 2.92Å; L143-A146 PolarHBondContact O-N 3.29Å; A146-K149 WeakPolarHBondContact O-CB 3.38Å; A146-K149 PolarHBondContact O-N 3.48Å; A146-K149 VanDerWaalsContact O-N 3.16Å; A146-C150 PolarHBondContact O-N 2.9Å; A146-C150 PolarHBondContact O-SG 3.45Å; A146-C150 VanDerWaalsContact O-SG 3.37Å |
| 147 | M | 87 | Confident | 83.5 | Confident | 97 Ų | 97 | 49.4 Ų | 49.4 | 48% | 0.478 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 175.8 | -172 | -177.8 | -64.3 | 0 | 0 | 111.8 | F106 L143 A144 K149 C150 H151 L156 | F106-M147 HydrophobicContact CE2-CE 4.37Å; L143-M147 WeakPolarHBondContact O-CB 3.31Å; L143-M147 PolarHBondContact O-N 2.87Å; A144-M147 PolarHBondContact O-N 3.49Å; M147-K149 VanDerWaalsContact C-N 3.31Å; M147-K149 PolarHBondContact O-N 3.33Å; M147-C150 WeakPolarHBondContact O-CB 3.48Å; M147-C150 PolarHBondContact O-N 2.75Å; M147-H151 PolarHBondContact O-N 3.18Å; M147-L156 HydrophobicContact CG-CD1 4.49Å |
| 148 | Y | 85.9 | Confident | 82.9 | Confident | 137 Ų | 137 | 50.6 Ų | 50.6 | 54% | 0.537 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.9 | -43 | 172.9 | -179 | -102.3 | 0 | 0 | 0 | 111 | M87 A144 L145 H151 T152 | M87-Y148 HydrophobicContact CE-CD1 4.36Å; M87-Y148 HydrophobicContact SD-CD1 3.98Å; M87-Y148 HydrophobicContact SD-CE1 4.39Å; A144-Y148 WeakPolarHBondContact O-CB 3.45Å; A144-Y148 PolarHBondContact O-N 3.37Å; L145-Y148 PolarHBondContact O-N 3.32Å; Y148-H151 WeakPolarHBondContact O-CB 3.2Å; Y148-H151 PolarHBondContact O-N 2.9Å; Y148-T152 HydrophobicContact CD1-CG2 4.26Å; Y148-T152 HydrophobicContact CE1-CG2 3.87Å; Y148-T152 HydrophobicContact CE2-CG2 4.34Å; Y148-T152 WeakPolarHBondContact O-CG2 3.49Å; Y148-T152 PolarHBondContact O-N 3.34Å; Y148-T152 PolarHBondContact O-OG1 2.85Å |
| 149 | K | 81 | Confident | 82 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 7% | 0.07 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 174.5 | -170.4 | 73.8 | -174.7 | 171.7 | 0 | 112.1 | M87 G91 V102 L145 A146 M147 H151 T152 M153 | M87-K149 HydrophobicContact CB-CD 4.08Å; M87-K149 HydrophobicContact CG-CD 3.59Å; M87-K149 PolarHBondContact O-NZ 3.49Å; M87-K149 HydrophobicContact SD-CB 4.31Å; M87-K149 HydrophobicContact SD-CD 3.91Å; G91-K149 PolarHBondContact O-NZ 2.95Å; V102-K149 HydrophobicContact CG2-CG 4.16Å; L145-K149 PolarHBondContact O-N 2.96Å; A146-K149 WeakPolarHBondContact O-CB 3.38Å; A146-K149 PolarHBondContact O-N 3.48Å; A146-K149 VanDerWaalsContact O-N 3.16Å; M147-K149 VanDerWaalsContact C-N 3.31Å; M147-K149 PolarHBondContact O-N 3.33Å; K149-H151 VanDerWaalsContact C-N 3.26Å; K149-H151 PolarHBondContact O-N 3.42Å; K149-T152 WeakPolarHBondContact CA-OG1 3.34Å; K149-T152 PolarHBondContact O-N 3.27Å; K149-T152 PolarHBondContact O-OG1 3.36Å; K149-M153 HydrophobicContact CG-CE 4.48Å; K149-M153 HydrophobicContact CG-SD 4.1Å; K149-M153 PolarHBondContact O-N 3.41Å |
| 150 | C | 78.5 | Confident | 81.3 | Confident | 19 Ų | 19 | 61.7 Ų | 61.7 | 13% | 0.128 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.8 | -41.1 | 176 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | V102 A146 M147 M153 G154 L155 L156 | V102-C150 WeakPolarHBondContact CG1-SG 3.37Å; A146-C150 PolarHBondContact O-N 2.9Å; A146-C150 PolarHBondContact O-SG 3.45Å; A146-C150 VanDerWaalsContact O-SG 3.37Å; M147-C150 WeakPolarHBondContact O-CB 3.48Å; M147-C150 PolarHBondContact O-N 2.75Å; C150-M153 PolarHBondContact O-N 3.21Å; C150-G154 PolarHBondContact O-N 2.94Å; C150-L155 PolarHBondContact O-N 3.25Å; C150-L156 HydrophobicContact CB-CD1 4Å; C150-L156 HydrophobicContact CB-CD2 4.27Å; C150-L156 HydrophobicContact CB-CG 3.91Å |
| 151 | H | 82.2 | Confident | 80.7 | Confident | 107 Ų | 107 | 60.7 Ų | 60.7 | 50% | 0.495 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 176.6 | -177.6 | 61.4 | 0 | 0 | 0 | 111.4 | M147 Y148 K149 M153 G154 L156 | M147-H151 PolarHBondContact O-N 3.18Å; Y148-H151 WeakPolarHBondContact O-CB 3.2Å; Y148-H151 PolarHBondContact O-N 2.9Å; K149-H151 VanDerWaalsContact C-N 3.26Å; K149-H151 PolarHBondContact O-N 3.42Å; H151-M153 VanDerWaalsContact C-N 3.27Å; H151-M153 PolarHBondContact O-N 3.28Å; H151-G154 PolarHBondContact O-N 2.93Å; H151-G154 VanDerWaalsContact O-N 3.07Å; H151-L156 HydrophobicContact CB-CD1 4.09Å |
| 152 | T | 77.6 | Confident | 80.3 | Confident | 53 Ų | 53 | 61 Ų | 61 | 33% | 0.325 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.1 | -30.4 | 177 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | S92 Y148 K149 G154 | S92-T152 PolarHBondContact OG-O 3.11Å; Y148-T152 HydrophobicContact CD1-CG2 4.26Å; Y148-T152 HydrophobicContact CE1-CG2 3.87Å; Y148-T152 HydrophobicContact CE2-CG2 4.34Å; Y148-T152 WeakPolarHBondContact O-CG2 3.49Å; Y148-T152 PolarHBondContact O-N 3.34Å; Y148-T152 PolarHBondContact O-OG1 2.85Å; K149-T152 WeakPolarHBondContact CA-OG1 3.34Å; K149-T152 PolarHBondContact O-N 3.27Å; K149-T152 PolarHBondContact O-OG1 3.36Å; T152-G154 VanDerWaalsContact C-N 3.28Å |
| 153 | M | 74.4 | Confident | 80.2 | Confident | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.039 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -4.3 | 176.1 | -74 | 176.5 | 155.2 | 0 | 0 | 113.3 | I94 P98 V102 K149 C150 H151 L155 | I94-M153 WeakPolarHBondContact CD1-O 3.36Å; P98-M153 HydrophobicContact CB-CE 3.66Å; V102-M153 HydrophobicContact CG2-SD 4.06Å; K149-M153 HydrophobicContact CG-CE 4.48Å; K149-M153 HydrophobicContact CG-SD 4.1Å; K149-M153 PolarHBondContact O-N 3.41Å; C150-M153 PolarHBondContact O-N 3.21Å; H151-M153 VanDerWaalsContact C-N 3.27Å; H151-M153 PolarHBondContact O-N 3.28Å; M153-L155 VanDerWaalsContact C-N 3.3Å; M153-L155 HydrophobicContact CB-CD1 3.65Å; M153-L155 HydrophobicContact CB-CG 3.81Å; M153-L155 PolarHBondContact O-N 3.07Å; M153-L155 HydrophobicContact SD-CD1 4.14Å |
| 154 | G | 71.6 | Confident | 79.5 | Confident | 50 Ų | 50 | 72 Ų | 72 | 52% | 0.515 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 25.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | C150 H151 T152 | C150-G154 PolarHBondContact O-N 2.94Å; H151-G154 PolarHBondContact O-N 2.93Å; H151-G154 VanDerWaalsContact O-N 3.07Å; T152-G154 VanDerWaalsContact C-N 3.28Å |
| 155 | L | 71.8 | Confident | 79.1 | Confident | 70 Ų | 70 | 73.8 Ų | 73.8 | 37% | 0.366 | 40% | 0.402 | S | S | . | . | trans | -93.5 | -11.3 | -175.1 | -61.3 | 166.9 | 0 | 0 | 0 | 113.2 | L99 C150 M153 | L99-L155 HydrophobicContact CD1-CB 4.48Å; L99-L155 HydrophobicContact CD1-CD1 3.12Å; L99-L155 HydrophobicContact CD1-CD2 3.46Å; L99-L155 VanDerWaalsContact CD1-CD2 3.46Å; L99-L155 HydrophobicContact CD1-CG 3.8Å; C150-L155 PolarHBondContact O-N 3.25Å; M153-L155 VanDerWaalsContact C-N 3.3Å; M153-L155 HydrophobicContact CB-CD1 3.65Å; M153-L155 HydrophobicContact CB-CG 3.81Å; M153-L155 PolarHBondContact O-N 3.07Å; M153-L155 HydrophobicContact SD-CD1 4.14Å | ||
| 156 | L | 74.2 | Confident | 78.9 | Confident | 55 Ų | 55 | 79.2 Ų | 79.2 | 29% | 0.288 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -90.6 | 132.9 | 179.1 | -66.7 | 173.6 | 0 | 0 | 0 | 108.8 | M147 C150 H151 T158 D162 | M147-L156 HydrophobicContact CG-CD1 4.49Å; C150-L156 HydrophobicContact CB-CD1 4Å; C150-L156 HydrophobicContact CB-CD2 4.27Å; C150-L156 HydrophobicContact CB-CG 3.91Å; H151-L156 HydrophobicContact CB-CD1 4.09Å; L156-T158 HydrophobicContact CB-CG2 3.76Å; L156-T158 PolarHBondContact O-N 2.97Å; L156-T158 PolarHBondContact O-OG1 2.91Å; L156-D162 VanDerWaalsContact O-OD2 3.13Å |
| 157 | P | 70.8 | Confident | 78.8 | Confident | 85 Ų | 85 | 84.5 Ų | 84.5 | 55% | 0.552 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 68.9 | 177.2 | 31.2 | -36.5 | 0 | 0 | 0 | 110.6 | D162 W163 | P157-D162 WeakPolarHBondContact CA-OD2 3.37Å; P157-D162 HydrophobicContact CB-CB 4.23Å; P157-W163 HydrophobicContact CB-CZ2 4.37Å |
| 158 | T | 79.7 | Confident | 78.6 | Confident | 91 Ų | 91 | 88.3 Ų | 88.3 | 56% | 0.558 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.5 | -19.5 | -169.6 | 51.3 | 0 | 0 | 0 | 0 | 111.4 | L156 D162 | L156-T158 HydrophobicContact CB-CG2 3.76Å; L156-T158 PolarHBondContact O-N 2.97Å; L156-T158 PolarHBondContact O-OG1 2.91Å; T158-D162 PolarHBondContact N-OD2 3.08Å |
| 159 | Y | 71.6 | Confident | 78.6 | Confident | 167 Ų | 167 | 87.1 Ų | 87.1 | 66% | 0.655 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -91.6 | 149.2 | 176.2 | -153 | -102.6 | 0 | 0 | 0 | 110 | S161 D162 | Y159-S161 VanDerWaalsContact CD1-OG 3.25Å; Y159-S161 WeakPolarHBondContact CD1-OG 3.25Å; Y159-S161 PolarHBondContact O-N 3.19Å; Y159-S161 VanDerWaalsContact O-N 3.08Å; Y159-D162 PolarHBondContact N-OD2 2.68Å; Y159-D162 WeakPolarHBondContact O-CB 3.32Å; Y159-D162 PolarHBondContact O-N 2.95Å |
| 160 | A | 74.9 | Confident | 78.8 | Confident | 74 Ų | 74 | 98.1 Ų | 98.1 | 61% | 0.612 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -58.4 | -24.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D162 W163 L164 | A160-D162 VanDerWaalsContact C-N 3.26Å; A160-D162 PolarHBondContact O-N 3.39Å; A160-W163 PolarHBondContact O-N 3.15Å; A160-L164 PolarHBondContact O-N 2.89Å |
| 161 | S | 79.9 | Confident | 79.3 | Confident | 68 Ų | 68 | 105.6 Ų | 105.6 | 48% | 0.476 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -61.6 | -33.1 | 173.8 | 60 | 0 | 0 | 0 | 0 | 113 | Y159 W163 L164 | Y159-S161 VanDerWaalsContact CD1-OG 3.25Å; Y159-S161 WeakPolarHBondContact CD1-OG 3.25Å; Y159-S161 PolarHBondContact O-N 3.19Å; Y159-S161 VanDerWaalsContact O-N 3.08Å; S161-W163 PolarHBondContact O-N 3.26Å; S161-L164 WeakPolarHBondContact O-CB 3.21Å; S161-L164 PolarHBondContact O-N 3.24Å |
| 162 | D | 83.7 | Confident | 79.5 | Confident | 58 Ų | 58 | 104.8 Ų | 104.8 | 31% | 0.31 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -68.6 | -21.8 | -177.9 | -52.7 | -35.9 | 0 | 0 | 0 | 111.2 | L156 P157 T158 Y159 A160 | L156-D162 VanDerWaalsContact O-OD2 3.13Å; P157-D162 WeakPolarHBondContact CA-OD2 3.37Å; P157-D162 HydrophobicContact CB-CB 4.23Å; T158-D162 PolarHBondContact N-OD2 3.08Å; Y159-D162 PolarHBondContact N-OD2 2.68Å; Y159-D162 WeakPolarHBondContact O-CB 3.32Å; Y159-D162 PolarHBondContact O-N 2.95Å; A160-D162 VanDerWaalsContact C-N 3.26Å; A160-D162 PolarHBondContact O-N 3.39Å |
| 163 | W | 86.1 | Confident | 80 | Confident | 140 Ų | 140 | 107.5 Ų | 107.5 | 53% | 0.53 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -102.6 | -3.2 | 179.5 | -54.7 | 96.1 | 0 | 0 | 0 | 113.1 | P157 A160 S161 S165 F166 | P157-W163 HydrophobicContact CB-CZ2 4.37Å; A160-W163 PolarHBondContact O-N 3.15Å; S161-W163 PolarHBondContact O-N 3.26Å; W163-S165 PolarHBondContact O-N 3.26Å; W163-S165 VanDerWaalsContact O-N 3.15Å; W163-F166 AromaticContact CE3-CD2 3.96Å; W163-F166 HydrophobicContact CE3-CD2 3.96Å; W163-F166 HydrophobicContact CE3-CE2 4.15Å; W163-F166 HydrophobicContact CZ3-CE2 4.45Å; W163-F166 PolarHBondContact O-N 3.21Å |
| 164 | L | 77 | Confident | 80.9 | Confident | 117 Ų | 117 | 115.3 Ų | 115.3 | 61% | 0.613 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -60 | -29.1 | -175.5 | -160.6 | 101 | 0 | 0 | 0 | 112.1 | A160 S161 F166 I167 | A160-L164 PolarHBondContact O-N 2.89Å; S161-L164 WeakPolarHBondContact O-CB 3.21Å; S161-L164 PolarHBondContact O-N 3.24Å; L164-F166 PolarHBondContact O-N 3.23Å; L164-I167 HydrophobicContact CD1-CD1 4.17Å; L164-I167 HydrophobicContact CG-CD1 4.48Å; L164-I167 PolarHBondContact O-N 2.96Å |
| 165 | S | 80.9 | Confident | 81.6 | Confident | 95 Ų | 95 | 123.6 Ų | 123.6 | 66% | 0.664 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -65.1 | -18.3 | 176.4 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | W163 | W163-S165 PolarHBondContact O-N 3.26Å; W163-S165 VanDerWaalsContact O-N 3.15Å |
| 166 | F | 83.6 | Confident | 82.3 | Confident | 155 Ų | 155 | 125.9 Ų | 125.9 | 68% | 0.68 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -101.8 | -2.5 | 178.7 | -56.9 | -64.3 | 0 | 0 | 0 | 113.1 | W163 L164 E168 | W163-F166 AromaticContact CE3-CD2 3.96Å; W163-F166 HydrophobicContact CE3-CD2 3.96Å; W163-F166 HydrophobicContact CE3-CE2 4.15Å; W163-F166 HydrophobicContact CZ3-CE2 4.45Å; W163-F166 PolarHBondContact O-N 3.21Å; L164-F166 PolarHBondContact O-N 3.23Å; F166-E168 PolarHBondContact O-N 3.41Å |
| 167 | I | 82 | Confident | 82.9 | Confident | 112 Ų | 112 | 129.5 Ų | 129.5 | 57% | 0.574 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -81.1 | 116.3 | 177.2 | -57.6 | 177.2 | 0 | 0 | 0 | 107.7 | L164 | L164-I167 HydrophobicContact CD1-CD1 4.17Å; L164-I167 HydrophobicContact CG-CD1 4.48Å; L164-I167 PolarHBondContact O-N 2.96Å |
| 168 | E | 84.4 | Confident | 83.7 | Confident | 177 Ų | 177 | 129.4 Ų | 129.4 | 83% | 0.827 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 136.5 | 173.8 | -74.9 | 168.2 | 130.5 | 0 | 0 | 110.2 | F166 R170 | F166-E168 PolarHBondContact O-N 3.41Å; E168-R170 PolarHBondContact O-N 3.41Å |
| 169 | P | 85.9 | Confident | 84.2 | Confident | 113 Ų | 113 | 128.3 Ų | 128.3 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -61 | 137.7 | 176.8 | 26.4 | -33.4 | 0 | 0 | 0 | 109.3 | Q171 | P169-Q171 PolarHBondContact O-N 3.49Š|
| 170 | R | 84.9 | Confident | 84.7 | Confident | 247 Ų | 247 | 129.4 Ų | 129.4 | 93% | 0.932 | 72% | 0.718 | S | S | * | * | trans | -56.6 | 115.6 | 175 | -179.9 | -174.6 | -80.6 | 167.8 | -5.8 | 108.6 | E168 A172 | E168-R170 PolarHBondContact O-N 3.41Å; R170-A172 PolarHBondContact O-N 3.01Å | ||
| 171 | Q | 87.3 | Confident | 84.7 | Confident | 176 Ų | 176 | 132.6 Ų | 132.6 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | -70 | 130 | 173.6 | -64.8 | -175.8 | -12.7 | 0 | 0 | 109 | P169 A173 | P169-Q171 PolarHBondContact O-N 3.49Å; Q171-A173 PolarHBondContact O-N 3.24Å | ||
| 172 | A | 87.5 | Confident | 83.9 | Confident | 90 Ų | 90 | 138.3 Ų | 138.3 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | trans | -66.1 | 118.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | R170 E174 | R170-A172 PolarHBondContact O-N 3.01Å; A172-E174 VanDerWaalsContact C-N 3.27Å | ||
| 173 | A | 88.8 | Confident | 84 | Confident | 110 Ų | 110 | 142.3 Ų | 142.3 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -75.4 | -22.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q171 | Q171-A173 PolarHBondContact O-N 3.24Š|
| 174 | E | 92.8 | Very high | 83.8 | Confident | 172 Ų | 172 | 142.4 Ų | 142.4 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -132.4 | 139.7 | -175.7 | 60.8 | -169.8 | 172.5 | 0 | 0 | 110.4 | A172 | A172-E174 VanDerWaalsContact C-N 3.27Š| ||
| 175 | W | 86 | Confident | 84.2 | Confident | 223 Ų | 223 | 143.8 Ų | 143.8 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -113.5 | 129.6 | 172.1 | 53.5 | -84.6 | 0 | 0 | 0 | 107.1 | V177 | W175-V177 HydrophobicContact CE3-CG2 4.22Š| ||
| 176 | S | 86.8 | Confident | 84.4 | Confident | 119 Ų | 119 | 146.7 Ų | 146.7 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -120.1 | 125.5 | 165.2 | 60.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 177 | V | 86 | Confident | 84.5 | Confident | 131 Ų | 131 | 146.2 Ų | 146.2 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | -122.8 | 112.9 | 177.1 | 177.1 | 0 | 0 | 0 | 0 | 106.2 | W175 | W175-V177 HydrophobicContact CE3-CG2 4.22Š| ||
| 178 | G | 88.1 | Confident | 84.6 | Confident | 82 Ų | 82 | 148.5 Ų | 148.5 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | trans | -129.3 | 126.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 179 | G | 89.2 | Confident | 84.7 | Confident | 69 Ų | 69 | 146.4 Ų | 146.4 | 71% | 0.711 | 84% | 0.843 | S | S | * | * | trans | -126.4 | 156.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 180 | F | 82.4 | Confident | 84.6 | Confident | 189 Ų | 189 | 149 Ų | 149 | 83% | 0.829 | 85% | 0.851 | S | S | * | * | trans | -69.9 | 136.5 | 178.4 | -148.5 | -79.9 | 0 | 0 | 0 | 110 | V182 | F180-V182 HydrophobicContact CD1-CB 4.46Å; F180-V182 HydrophobicContact CD1-CG2 3.25Å; F180-V182 HydrophobicContact CE1-CG2 3.62Å; F180-V182 HydrophobicContact CG-CG2 4.25Å; F180-V182 PolarHBondContact O-N 3.36Å | ||
| 181 | V | 75.6 | Confident | 84.5 | Confident | 141 Ų | 141 | 140.8 Ų | 140.8 | 86% | 0.855 | 84% | 0.844 | S | S | * | * | trans | -88.1 | 91 | 170.6 | -154.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 182 | V | 63.8 | Low | 84.3 | Confident | 188 Ų | 188 | 137.6 Ų | 137.6 | 100% | 1.139 | 85% | 0.846 | S | S | * | * | trans | -112.2 | 0 | 162.2 | -173.7 | 0 | 0 | 0 | 0 | 108 | F180 | F180-V182 HydrophobicContact CD1-CB 4.46Å; F180-V182 HydrophobicContact CD1-CG2 3.25Å; F180-V182 HydrophobicContact CE1-CG2 3.62Å; F180-V182 HydrophobicContact CG-CG2 4.25Å; F180-V182 PolarHBondContact O-N 3.36Å |
Retrieved 182 of 182 residues in 38.9 ms
(Link to these results)