| 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 | 46.2 | Very low | 47.8 | Very low | 229 Ų | 229 | 140 Ų | 140 | 100% | 1.128 | 77% | 0.767 | S | S | * | * | 0 | 137.4 | 0 | -77.6 | 157.3 | 61.7 | 0 | 0 | 107.3 | |||||
| 2 | T | 43.9 | Very low | 47.4 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | trans | 61 | 152.8 | -178.9 | 74.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 3 | L | 40.7 | Very low | 47.1 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | cis | -125.6 | -170 | -16.6 | -57.5 | 78.1 | 0 | 0 | 0 | 107.3 | ||||
| 4 | L | 43.3 | Very low | 46.8 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | cis | -138.8 | 140 | -5.2 | -62.8 | 80.6 | 0 | 0 | 0 | 109.2 | G6 | L4-G6 PolarHBondContact O-N 3.43Š| ||
| 5 | P | 48.6 | Very low | 46.8 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 94% | 0.935 | 75% | 0.751 | S | S | * | * | trans | -87.6 | 60.9 | 156.1 | 35.6 | -31 | 0 | 0 | 0 | 109.9 | ||||
| 6 | G | 53.1 | Low | 46.5 | Very low | 37 Ų | 37 | 138.8 Ų | 138.8 | 38% | 0.381 | 75% | 0.747 | S | S | . | * | trans | -109.9 | 1.8 | -161.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | L4 | L4-G6 PolarHBondContact O-N 3.43Š| ||
| 7 | L | 52 | Low | 46.6 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -119.3 | 1.3 | -169.8 | -102.3 | 85.7 | 0 | 0 | 0 | 116.6 | ||
| 8 | L | 49.6 | Very low | 46.6 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -93.5 | -1.3 | 178.1 | -75.6 | 169.9 | 0 | 0 | 0 | 114.7 | ||
| 9 | F | 50.2 | Low | 46.5 | Very low | 173 Ų | 173 | 138 Ų | 138 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -101.4 | -6.6 | 179.5 | -96.4 | -79.5 | 0 | 0 | 0 | 115.2 | ||
| 10 | L | 49.3 | Very low | 46.3 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 63% | 0.634 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -96.3 | -12.2 | -173.3 | -81.4 | 162.8 | 0 | 0 | 0 | 115.2 | ||
| 11 | T | 48.4 | Very low | 46 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 69% | 0.693 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -84.8 | -11.8 | 172.4 | 48.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 12 | W | 43 | Very low | 45.9 | Very low | 217 Ų | 217 | 136 Ų | 136 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -91.1 | -0.5 | 179.1 | -125.3 | 41 | 0 | 0 | 0 | 114.6 | ||
| 13 | L | 44.3 | Very low | 45.7 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 64% | 0.639 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -96.8 | -14 | 177.7 | -91.8 | 149.1 | 0 | 0 | 0 | 114.5 | ||
| 14 | H | 42 | Very low | 46 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 78% | 0.782 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -91.9 | -7.6 | 178.7 | -95.9 | -70.5 | 0 | 0 | 0 | 115.2 | ||
| 15 | A | 46.8 | Very low | 45.7 | Very low | 71 Ų | 71 | 144.9 Ų | 144.9 | 59% | 0.587 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -87.6 | -2.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 16 | C | 42.6 | Very low | 45.1 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -103.6 | -0.6 | -172.1 | -68.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 17 | L | 48.3 | Very low | 44.3 | Very low | 158 Ų | 158 | 147.3 Ų | 147.3 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -112.8 | 11.2 | -174.7 | -76 | 168.7 | 0 | 0 | 0 | 114.9 | ||
| 18 | A | 46.5 | Very low | 43.7 | Very low | 84 Ų | 84 | 145.6 Ų | 145.6 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -121.1 | 13.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 19 | H | 44 | Very low | 43.4 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -129.9 | 29 | -179.5 | -80.4 | -45.5 | 0 | 0 | 0 | 114.1 | ||
| 20 | H | 42.6 | Very low | 42.8 | Very low | 184 Ų | 184 | 144 Ų | 144 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -130 | 45.6 | 174.1 | -91.7 | 38.6 | 0 | 0 | 0 | 112.1 | ||
| 21 | D | 40.5 | Very low | 42.9 | Very low | 146 Ų | 146 | 147 Ų | 147 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | -150.9 | 56 | 163.4 | -132.8 | -24.9 | 0 | 0 | 0 | 115.1 | ||||
| 22 | T | 43.1 | Very low | 43.4 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | trans | -129.5 | 42.2 | 164.1 | 26.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 23 | F | 40.8 | Very low | 44.4 | Very low | 201 Ų | 201 | 140.4 Ų | 140.4 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | trans | -99 | 21.8 | 172.5 | -129.5 | -84.1 | 0 | 0 | 0 | 114.1 | ||||
| 24 | L | 47.4 | Very low | 46 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | trans | -124.7 | 51 | 170.1 | -76.3 | 174.8 | 0 | 0 | 0 | 112.5 | ||||
| 25 | R | 36.6 | Very low | 48.2 | Very low | 227 Ų | 227 | 137 Ų | 137 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | -126.7 | 71.6 | 152.8 | -155 | 174.7 | -154.8 | 174.7 | 7.8 | 109.8 | H27 | R25-H27 PolarHBondContact O-N 3.46Š| ||
| 26 | G | 36.3 | Very low | 50.3 | Low | 74 Ų | 74 | 134.6 Ų | 134.6 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | trans | -52.1 | 113 | 170 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 27 | H | 35.8 | Very low | 52.7 | Low | 159 Ų | 159 | 130.5 Ų | 130.5 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | trans | -56.4 | 141.1 | 161.5 | -89.9 | 6.2 | 0 | 0 | 0 | 107.6 | R25 H29 | R25-H27 PolarHBondContact O-N 3.46Å; H27-H29 PolarHBondContact O-N 3.26Å | ||
| 28 | P | 38.6 | Very low | 54.7 | Low | 113 Ų | 113 | 123.6 Ų | 123.6 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | trans | -57.5 | 113.1 | 168.9 | -13.4 | 26.3 | 0 | 0 | 0 | 106.3 | T30 | P28-T30 PolarHBondContact O-N 3.29Š| ||
| 29 | H | 43.6 | Very low | 56.5 | Low | 168 Ų | 168 | 122.5 Ų | 122.5 | 78% | 0.778 | 65% | 0.653 | S | S | * | * | trans | -62 | 100 | 161.9 | -74.1 | -63.2 | 0 | 0 | 0 | 105.2 | H27 H31 | H27-H29 PolarHBondContact O-N 3.26Å; H29-H31 PolarHBondContact O-N 3.46Å | ||
| 30 | T | 39.3 | Very low | 58.6 | Low | 134 Ų | 134 | 122.2 Ų | 122.2 | 82% | 0.822 | 65% | 0.653 | S | S | * | * | trans | -57.7 | 97.4 | 161.5 | 31.9 | 0 | 0 | 0 | 0 | 105.6 | P28 G32 | P28-T30 PolarHBondContact O-N 3.29Å; T30-G32 PolarHBondContact O-N 3.3Å | ||
| 31 | H | 50.6 | Low | 60.9 | Low | 182 Ų | 182 | 117.7 Ų | 117.7 | 84% | 0.843 | 63% | 0.632 | S | S | * | * | trans | -67.3 | 67.4 | 167.2 | -95.2 | -88.9 | 0 | 0 | 0 | 107.5 | H29 T33 | H29-H31 PolarHBondContact O-N 3.46Å; H31-T33 PolarHBondContact O-N 2.89Å | ||
| 32 | G | 58 | Low | 63.2 | Low | 60 Ų | 60 | 111.5 Ų | 111.5 | 62% | 0.619 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 128.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107 | T30 | T30-G32 PolarHBondContact O-N 3.3Š|
| 33 | T | 65.4 | Low | 65.3 | Low | 133 Ų | 133 | 108.2 Ų | 108.2 | 82% | 0.816 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 127.8 | 178.1 | 42.3 | 0 | 0 | 0 | 0 | 108.7 | H31 R35 | H31-T33 PolarHBondContact O-N 2.89Å; T33-R35 PolarHBondContact O-N 2.97Å |
| 34 | P | 77.6 | Confident | 67.5 | Low | 67 Ų | 67 | 103.2 Ų | 103.2 | 44% | 0.435 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 130 | -175.4 | 25.4 | -33.6 | 0 | 0 | 0 | 108.9 | C36 A177 | P34-C36 PolarHBondContact O-N 3.35Å; P34-A177 HydrophobicContact CB-CB 4.18Å; P34-A177 HydrophobicContact CG-CB 4.25Å |
| 35 | R | 87.9 | Confident | 69.3 | Low | 152 Ų | 152 | 96.5 Ų | 96.5 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 128.5 | -175.7 | 174.6 | 173.1 | 174 | 162.7 | -0.4 | 110.5 | T33 Y37 E41 | T33-R35 PolarHBondContact O-N 2.97Å; R35-Y37 HydrophobicContact CB-CE2 4.35Å; R35-Y37 HydrophobicContact CG-CE1 4.01Å; R35-Y37 HydrophobicContact CG-CE2 4.28Å; R35-Y37 WeakPolarHBondContact O-CD2 3.17Å; R35-Y37 WeakPolarHBondContact O-CE2 3.36Å; R35-E41 IonicContact NH2-OE1 3.22Å; R35-E41 PolarHBondContact NH2-OE1 2.61Å |
| 36 | C | 91.3 | Very high | 71.8 | Confident | 20 Ų | 20 | 90.7 Ų | 90.7 | 14% | 0.135 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 141.5 | 167.4 | -74.2 | 0 | 0 | 0 | 0 | 111.5 | P34 C163 S164 R165 F176 | P34-C36 PolarHBondContact O-N 3.35Å; C36-C163 WeakPolarHBondContact CA-SG 3.02Å; C36-C163 HydrophobicContact CB-CB 4.49Å; C36-C163 WeakPolarHBondContact CB-SG 3.18Å; C36-C163 WeakPolarHBondContact SG-CB 3.46Å; C36-C163 CovalentContact SG-SG 2.03Å; C36-C163 PolarHBondContact SG-SG 2.88Å; C36-S164 PolarHBondContact SG-O 3.41Å; C36-S164 VanDerWaalsContact SG-O 3.32Å; C36-R165 HydrophobicContact CB-CG 3.62Å; C36-F176 CarbonylContact C-O 3.57Å; C36-F176 WeakPolarHBondContact CA-O 3.07Å |
| 37 | Y | 91.8 | Very high | 74.3 | Confident | 16 Ų | 16 | 87.6 Ų | 87.6 | 6% | 0.063 | 48% | 0.483 | C | S | . | . | B | Isolated β-bridge | trans | -121.1 | 157.3 | 171.7 | -52.6 | -84.9 | 0 | 0 | 0 | 109.2 | R35 E41 P48 H50 A175 F176 F178 | R35-Y37 HydrophobicContact CB-CE2 4.35Å; R35-Y37 HydrophobicContact CG-CE1 4.01Å; R35-Y37 HydrophobicContact CG-CE2 4.28Å; R35-Y37 WeakPolarHBondContact O-CD2 3.17Å; R35-Y37 WeakPolarHBondContact O-CE2 3.36Å; Y37-E41 VanDerWaalsContact CA-OE2 3.26Å; Y37-E41 WeakPolarHBondContact CA-OE2 3.5Å; Y37-P48 HydrophobicContact CD2-CG 4.45Å; Y37-P48 HydrophobicContact CE1-CB 4.37Å; Y37-P48 HydrophobicContact CE1-CG 3.92Å; Y37-P48 HydrophobicContact CE2-CG 3.75Å; Y37-P48 VanDerWaalsContact CZ-CG 3.46Å; Y37-H50 PolarHBondContact OH-CE1 3.19Å; Y37-H50 PolarHBondContact OH-NE2 3.16Å; Y37-A175 CarbonylContact O-C 3.57Å; Y37-A175 VanDerWaalsContact O-CA 3.26Å; Y37-A175 WeakPolarHBondContact O-CA 3.28Å; Y37-F176 HydrophobicContact CD2-CD2 4.42Å; Y37-F176 HydrophobicContact CD2-CE2 4.34Å; Y37-F176 HydrophobicContact CG-CE2 4.35Å; Y37-F176 PolarHBondContact N-O 2.67Å; Y37-F176 PolarHBondContact O-N 3.07Å; Y37-F178 HydrophobicContact CD2-CD2 4.12Å; Y37-F178 HydrophobicContact CD2-CE2 4.27Å; Y37-F178 HydrophobicContact CE2-CD2 4.04Å |
| 38 | S | 90.6 | Very high | 76.8 | Confident | 13 Ų | 13 | 80.2 Ų | 80.2 | 9% | 0.091 | 45% | 0.449 | C | S | . | . | trans | -110.7 | 170.3 | 161.7 | 61.7 | 0 | 0 | 0 | 0 | 111.9 | E40 E41 L42 R165 | S38-E40 WeakPolarHBondContact CB-OE2 3.39Å; S38-E40 PolarHBondContact O-N 2.79Å; S38-E40 PolarHBondContact OG-OE2 2.76Å; S38-E41 PolarHBondContact N-OE2 3.32Å; S38-E41 PolarHBondContact O-N 2.89Å; S38-E41 VanDerWaalsContact O-N 3.11Å; S38-L42 PolarHBondContact O-N 2.94Å; S38-L42 VanDerWaalsContact O-N 3.1Å; S38-R165 VanDerWaalsContact CB-NH2 3.26Å; S38-R165 PolarHBondContact OG-NH2 3.28Å | ||
| 39 | A | 85.8 | Confident | 79 | Confident | 60 Ų | 60 | 79.6 Ų | 79.6 | 50% | 0.496 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -25.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L42 | A39-L42 CarbonylContact O-C 3.54Š|
| 40 | E | 87.6 | Confident | 80.9 | Confident | 155 Ų | 155 | 76 Ų | 76 | 72% | 0.724 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -33.3 | 176.6 | -46.8 | 72.2 | -154.8 | 0 | 0 | 111.8 | S38 | S38-E40 WeakPolarHBondContact CB-OE2 3.39Å; S38-E40 PolarHBondContact O-N 2.79Å; S38-E40 PolarHBondContact OG-OE2 2.76Å |
| 41 | E | 89.7 | Confident | 83 | Confident | 89 Ų | 89 | 71.6 Ų | 71.6 | 42% | 0.416 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -35.1 | 176.4 | -71.1 | -176.9 | 111.2 | 0 | 0 | 112.2 | R35 Y37 S38 R165 | R35-E41 IonicContact NH2-OE1 3.22Å; R35-E41 PolarHBondContact NH2-OE1 2.61Å; Y37-E41 VanDerWaalsContact CA-OE2 3.26Å; Y37-E41 WeakPolarHBondContact CA-OE2 3.5Å; S38-E41 PolarHBondContact N-OE2 3.32Å; S38-E41 PolarHBondContact O-N 2.89Å; S38-E41 VanDerWaalsContact O-N 3.11Å; E41-R165 IonicContact OE2-CZ 3.74Å; E41-R165 IonicContact OE2-NH2 2.73Å; E41-R165 PolarHBondContact OE2-NH2 3.28Å |
| 42 | L | 89.9 | Confident | 84.5 | Confident | 16 Ų | 16 | 65.7 Ų | 65.7 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -145.1 | 105.9 | -178.6 | -168.1 | 78 | 0 | 0 | 0 | 111.4 | S38 A39 Q46 P48 F176 F178 | S38-L42 PolarHBondContact O-N 2.94Å; S38-L42 VanDerWaalsContact O-N 3.1Å; A39-L42 CarbonylContact O-C 3.54Å; L42-Q46 HydrophobicContact CD1-CB 3.81Å; L42-Q46 HydrophobicContact CG-CB 4.09Å; L42-P48 HydrophobicContact CD2-CG 4.04Å; L42-F176 HydrophobicContact CB-CZ 4.26Å; L42-F176 HydrophobicContact CD2-CE2 4.22Å; L42-F178 HydrophobicContact CD2-CE2 3.43Å; L42-F178 VanDerWaalsContact CD2-CE2 3.43Å; L42-F178 HydrophobicContact CD2-CZ 3.76Å |
| 43 | P | 87.8 | Confident | 85.1 | Confident | 63 Ų | 63 | 67 Ų | 67 | 41% | 0.409 | 38% | 0.379 | S | S | . | . | trans | -60.8 | 160.1 | 176.8 | -26 | 35.5 | 0 | 0 | 0 | 114.2 | Q46 | P43-Q46 HydrophobicContact CB-CG 4.48Å; P43-Q46 WeakPolarHBondContact O-CB 3.5Å; P43-Q46 PolarHBondContact O-N 2.03Å | ||
| 44 | L | 86.6 | Confident | 85 | Confident | 96 Ų | 96 | 71 Ų | 71 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 141.3 | 173.5 | -169.7 | 62.7 | 0 | 0 | 0 | 111.4 | Q46 E117 R160 | L44-Q46 PolarHBondContact O-N 2.89Å; L44-E117 HydrophobicContact CD1-CB 4.32Å; L44-E117 WeakPolarHBondContact CD2-OE2 3.31Å; L44-E117 WeakPolarHBondContact CG-OE2 3.32Å; L44-R160 VanDerWaalsContact CD1-NH1 3.28Å; L44-R160 VanDerWaalsContact CD1-NH2 3.31Å |
| 45 | G | 84.7 | Confident | 84.1 | Confident | 29 Ų | 29 | 70.9 Ų | 70.9 | 30% | 0.299 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -3.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y120 Q122 | G45-Y120 WeakPolarHBondContact O-CD2 3.48Å; G45-Y120 WeakPolarHBondContact O-CE2 3.39Å; G45-Q122 VanDerWaalsContact CA-OE1 3.27Å |
| 46 | Q | 88.6 | Confident | 82.9 | Confident | 105 Ų | 105 | 64.8 Ų | 64.8 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | trans | -98.5 | 161.3 | 175.4 | -55 | -170.4 | 18.2 | 0 | 0 | 112 | L42 P43 L44 | L42-Q46 HydrophobicContact CD1-CB 3.81Å; L42-Q46 HydrophobicContact CG-CB 4.09Å; P43-Q46 HydrophobicContact CB-CG 4.48Å; P43-Q46 WeakPolarHBondContact O-CB 3.5Å; P43-Q46 PolarHBondContact O-N 2.03Å; L44-Q46 PolarHBondContact O-N 2.89Å | ||
| 47 | A | 88.4 | Confident | 82 | Confident | 9 Ų | 9 | 71.4 Ų | 71.4 | 7% | 0.074 | 40% | 0.399 | C | S | . | . | trans | -135.5 | 146.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L52 Y120 L158 | A47-L52 HydrophobicContact CB-CD2 3.92Å; A47-L52 HydrophobicContact CB-CG 4.39Å; A47-Y120 HydrophobicContact CB-CD1 3.72Å; A47-Y120 HydrophobicContact CB-CD2 3.62Å; A47-Y120 HydrophobicContact CB-CE1 3.96Å; A47-Y120 HydrophobicContact CB-CE2 3.85Å; A47-Y120 HydrophobicContact CB-CG 3.55Å; A47-L158 HydrophobicContact CB-CD1 3.86Å | ||
| 48 | P | 88.4 | Confident | 81.3 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 3% | 0.026 | 40% | 0.399 | C | S | . | . | trans | -60.1 | 132.7 | -179.3 | -22.5 | 32 | 0 | 0 | 0 | 112.6 | Y37 L42 H50 L51 L52 F178 | Y37-P48 HydrophobicContact CD2-CG 4.45Å; Y37-P48 HydrophobicContact CE1-CB 4.37Å; Y37-P48 HydrophobicContact CE1-CG 3.92Å; Y37-P48 HydrophobicContact CE2-CG 3.75Å; Y37-P48 VanDerWaalsContact CZ-CG 3.46Å; L42-P48 HydrophobicContact CD2-CG 4.04Å; P48-H50 WeakPolarHBondContact CB-CE1 3.39Å; P48-H50 PolarHBondContact O-N 2.87Å; P48-H50 VanDerWaalsContact O-N 3.07Å; P48-L51 HydrophobicContact CB-CD1 4.48Å; P48-L51 HydrophobicContact CB-CG 4.35Å; P48-L51 HydrophobicContact CG-CD1 4.12Å; P48-L51 WeakPolarHBondContact O-CB 3.16Å; P48-L51 PolarHBondContact O-N 2.79Å; P48-L52 PolarHBondContact O-N 2.77Å; P48-F178 HydrophobicContact CG-CD2 3.93Å; P48-F178 HydrophobicContact CG-CE2 4.01Å | ||
| 49 | P | 85.1 | Confident | 80.2 | Confident | 101 Ų | 101 | 73.9 Ų | 73.9 | 66% | 0.656 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -55.7 | -31.7 | -175.1 | -30.1 | 35.8 | 0 | 0 | 0 | 115.6 | L51 L52 A53 | P49-L51 VanDerWaalsContact C-N 3.32Å; P49-L51 PolarHBondContact O-N 3.12Å; P49-L52 WeakPolarHBondContact O-CB 3.19Å; P49-L52 PolarHBondContact O-N 3.15Å; P49-L52 VanDerWaalsContact O-N 3.13Å; P49-A53 PolarHBondContact O-N 3.45Å |
| 50 | H | 84.3 | Confident | 79.8 | Confident | 93 Ų | 93 | 78.1 Ų | 78.1 | 43% | 0.431 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -72.3 | -22.4 | 177.9 | 61.6 | -95.3 | 0 | 0 | 0 | 113.7 | Y37 P48 R54 | Y37-H50 PolarHBondContact OH-CE1 3.19Å; Y37-H50 PolarHBondContact OH-NE2 3.16Å; P48-H50 WeakPolarHBondContact CB-CE1 3.39Å; P48-H50 PolarHBondContact O-N 2.87Å; P48-H50 VanDerWaalsContact O-N 3.07Å; H50-R54 WeakPolarHBondContact O-CG 3.43Å |
| 51 | L | 83.6 | Confident | 79.8 | Confident | 40 Ų | 40 | 71.4 Ų | 71.4 | 21% | 0.209 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -79 | -30.3 | 168.7 | -60.2 | -175.5 | 0 | 0 | 0 | 110.6 | P48 P49 L158 F178 | P48-L51 HydrophobicContact CB-CD1 4.48Å; P48-L51 HydrophobicContact CB-CG 4.35Å; P48-L51 HydrophobicContact CG-CD1 4.12Å; P48-L51 WeakPolarHBondContact O-CB 3.16Å; P48-L51 PolarHBondContact O-N 2.79Å; P49-L51 VanDerWaalsContact C-N 3.32Å; P49-L51 PolarHBondContact O-N 3.12Å; L51-L158 HydrophobicContact CB-CD1 3.83Å; L51-L158 HydrophobicContact CD1-CD1 4.02Å; L51-L158 HydrophobicContact CD1-CD2 4.45Å; L51-F178 HydrophobicContact CD1-CB 3.57Å; L51-F178 HydrophobicContact CD1-CD2 4.35Å; L51-F178 HydrophobicContact CD1-CG 4.14Å |
| 52 | L | 81.4 | Confident | 79.7 | Confident | 59 Ų | 59 | 70.8 Ų | 70.8 | 31% | 0.309 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70.4 | -41.7 | 175.9 | -57.6 | 179.9 | 0 | 0 | 0 | 112.8 | A47 P48 P49 R54 W58 Y120 | A47-L52 HydrophobicContact CB-CD2 3.92Å; A47-L52 HydrophobicContact CB-CG 4.39Å; P48-L52 PolarHBondContact O-N 2.77Å; P49-L52 WeakPolarHBondContact O-CB 3.19Å; P49-L52 PolarHBondContact O-N 3.15Å; P49-L52 VanDerWaalsContact O-N 3.13Å; L52-R54 PolarHBondContact O-N 2.9Å; L52-W58 HydrophobicContact CB-CZ3 4.36Å; L52-W58 HydrophobicContact CD2-CE3 4.1Å; L52-W58 HydrophobicContact CD2-CH2 3.91Å; L52-W58 HydrophobicContact CD2-CZ3 3.36Å; L52-W58 HydrophobicContact CG-CZ3 4.46Å; L52-Y120 HydrophobicContact CD2-CD1 4.19Å; L52-Y120 HydrophobicContact CD2-CE1 3.43Å; L52-Y120 VanDerWaalsContact CD2-CE1 3.43Å |
| 53 | A | 70.8 | Confident | 79.9 | Confident | 86 Ų | 86 | 70.2 Ų | 70.2 | 71% | 0.711 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | P49 G55 | P49-A53 PolarHBondContact O-N 3.45Å; A53-G55 PolarHBondContact O-N 2.99Å |
| 54 | R | 64.1 | Low | 80.2 | Confident | 217 Ų | 217 | 68.5 Ų | 68.5 | 82% | 0.819 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 27.4 | -174.9 | -81.6 | -177.1 | 172.3 | -161 | -0.8 | 115.3 | H50 L52 | H50-R54 WeakPolarHBondContact O-CG 3.43Å; L52-R54 PolarHBondContact O-N 2.9Å |
| 55 | G | 56.8 | Low | 80.4 | Confident | 65 Ų | 65 | 66.5 Ų | 66.5 | 67% | 0.67 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 101.2 | 9.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | A53 | A53-G55 PolarHBondContact O-N 2.99Š|
| 56 | A | 64 | Low | 80.9 | Confident | 24 Ų | 24 | 67.1 Ų | 67.1 | 20% | 0.198 | 38% | 0.384 | C | S | . | . | trans | -93 | 108.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | W58 L156 | A56-W58 HydrophobicContact CB-CD2 3.55Å; A56-W58 HydrophobicContact CB-CE3 3.75Å; A56-W58 HydrophobicContact CB-CG 4.29Å; A56-W58 HydrophobicContact CB-CH2 3.57Å; A56-W58 HydrophobicContact CB-CZ2 3.36Å; A56-W58 HydrophobicContact CB-CZ3 3.72Å; A56-W58 PolarHBondContact O-N 2.75Å; A56-L156 HydrophobicContact CB-CD2 4.17Å | ||
| 57 | K | 72.8 | Confident | 81.2 | Confident | 159 Ų | 159 | 62.6 Ų | 62.6 | 69% | 0.691 | 36% | 0.363 | S | S | * | . | trans | -79.1 | 52.6 | 176.2 | -59.2 | -170.7 | -175.3 | 178.2 | 0 | 111.9 | G59 Q60 | K57-G59 VanDerWaalsContact C-N 3.27Å; K57-G59 PolarHBondContact O-N 2.03Å; K57-Q60 HydrophobicContact CB-CB 4.39Å; K57-Q60 HydrophobicContact CB-CG 4.5Å; K57-Q60 VanDerWaalsContact CD-OE1 3.23Å; K57-Q60 PolarHBondContact O-N 3.35Å | ||
| 58 | W | 77.3 | Confident | 81.3 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 8% | 0.08 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -53 | -41.6 | -174.8 | -62.9 | -78.3 | 0 | 0 | 0 | 113.2 | L52 A56 Q60 A61 V64 Y120 P121 L156 L158 | L52-W58 HydrophobicContact CB-CZ3 4.36Å; L52-W58 HydrophobicContact CD2-CE3 4.1Å; L52-W58 HydrophobicContact CD2-CH2 3.91Å; L52-W58 HydrophobicContact CD2-CZ3 3.36Å; L52-W58 HydrophobicContact CG-CZ3 4.46Å; A56-W58 HydrophobicContact CB-CD2 3.55Å; A56-W58 HydrophobicContact CB-CE3 3.75Å; A56-W58 HydrophobicContact CB-CG 4.29Å; A56-W58 HydrophobicContact CB-CH2 3.57Å; A56-W58 HydrophobicContact CB-CZ2 3.36Å; A56-W58 HydrophobicContact CB-CZ3 3.72Å; A56-W58 PolarHBondContact O-N 2.75Å; W58-Q60 PolarHBondContact O-N 2.03Å; W58-A61 WeakPolarHBondContact O-CB 3.25Å; W58-A61 PolarHBondContact O-N 3.3Å; W58-V64 HydrophobicContact CB-CG2 4.34Å; W58-V64 VanDerWaalsContact O-CB 3.26Å; W58-V64 WeakPolarHBondContact O-CB 3Å; W58-V64 WeakPolarHBondContact O-CG2 3.47Å; W58-Y120 HydrophobicContact CE3-CE1 4.32Å; W58-Y120 HydrophobicContact CZ3-CE1 4.48Å; W58-P121 HydrophobicContact CB-CG 3.98Å; W58-P121 HydrophobicContact CG-CG 4.12Å; W58-L156 PolarHBondContact NE1-O 2.78Å; W58-L158 HydrophobicContact CH2-CD1 4.26Å; W58-L158 HydrophobicContact CH2-CG 4.4Å; W58-L158 HydrophobicContact CZ2-CD1 4.38Å; W58-L158 HydrophobicContact CZ2-CD2 4.32Å; W58-L158 HydrophobicContact CZ2-CG 4.04Å |
| 59 | G | 65.7 | Low | 81.5 | Confident | 61 Ų | 61 | 70 Ų | 70 | 63% | 0.629 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -62.3 | -13 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K57 | K57-G59 VanDerWaalsContact C-N 3.27Å; K57-G59 PolarHBondContact O-N 2.03Å |
| 60 | Q | 77.9 | Confident | 81.8 | Confident | 149 Ų | 149 | 67.3 Ų | 67.3 | 70% | 0.696 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -99.4 | -9.3 | 173.1 | -62.1 | -176 | -20.3 | 0 | 0 | 112.9 | K57 W58 | K57-Q60 HydrophobicContact CB-CB 4.39Å; K57-Q60 HydrophobicContact CB-CG 4.5Å; K57-Q60 VanDerWaalsContact CD-OE1 3.23Å; K57-Q60 PolarHBondContact O-N 3.35Å; W58-Q60 PolarHBondContact O-N 2.03Å |
| 61 | A | 87.4 | Confident | 82.2 | Confident | 14 Ų | 14 | 66.1 Ų | 66.1 | 12% | 0.116 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -75.3 | 129.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | W58 P63 V64 A65 L155 | W58-A61 WeakPolarHBondContact O-CB 3.25Å; W58-A61 PolarHBondContact O-N 3.3Å; A61-P63 VanDerWaalsContact C-CD 3.45Å; A61-P63 VanDerWaalsContact C-N 3.33Å; A61-P63 VanDerWaalsContact O-N 3.17Å; A61-V64 HydrophobicContact CB-CG2 4.39Å; A61-V64 PolarHBondContact O-N 2.87Å; A61-A65 PolarHBondContact O-N 2.89Å; A61-L155 HydrophobicContact CB-CD1 3.77Å |
| 62 | L | 88.9 | Confident | 82.5 | Confident | 76 Ų | 76 | 67.3 Ų | 67.3 | 40% | 0.398 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -48.4 | -44.4 | -176.8 | -175 | 78 | 0 | 0 | 0 | 113.7 | V64 A65 L66 V187 | L62-V64 PolarHBondContact O-N 2.89Å; L62-A65 PolarHBondContact O-N 2.86Å; L62-L66 HydrophobicContact CD1-CD1 3.89Å; L62-L66 HydrophobicContact CD1-CD2 4.37Å; L62-L66 HydrophobicContact CD1-CG 3.97Å; L62-L66 HydrophobicContact CD2-CD1 4.34Å; L62-L66 HydrophobicContact CG-CD1 3.76Å; L62-L66 HydrophobicContact CG-CG 4.19Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 2.91Å; L62-L66 VanDerWaalsContact O-N 3.15Å; L62-V187 HydrophobicContact CD2-CB 4.25Å |
| 63 | P | 93.2 | Very high | 82.7 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.019 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60 | -29.7 | 177.5 | -26.7 | 36.9 | 0 | 0 | 0 | 114.7 | A61 V67 L124 A125 L155 V185 V187 | A61-P63 VanDerWaalsContact C-CD 3.45Å; A61-P63 VanDerWaalsContact C-N 3.33Å; A61-P63 VanDerWaalsContact O-N 3.17Å; P63-V67 WeakPolarHBondContact O-CG2 2.95Å; P63-L124 HydrophobicContact CB-CB 4.3Å; P63-L124 HydrophobicContact CB-CD2 4.14Å; P63-L124 CarbonylContact O-C 3.55Å; P63-L124 WeakPolarHBondContact O-CA 3.45Å; P63-A125 WeakPolarHBondContact O-CB 3.36Å; P63-A125 PolarHBondContact O-N 3.43Å; P63-L155 HydrophobicContact CB-CD2 4.45Å; P63-V185 HydrophobicContact CB-CG1 3.8Å; P63-V185 HydrophobicContact CG-CB 4.19Å; P63-V185 HydrophobicContact CG-CG1 3.59Å; P63-V187 HydrophobicContact CG-CG1 3.87Å |
| 64 | V | 93.9 | Very high | 83.1 | Confident | 28 Ų | 28 | 64.2 Ų | 64.2 | 17% | 0.17 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -86 | -46.8 | -179.2 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | W58 A61 L62 L66 V67 P121 L124 | W58-V64 HydrophobicContact CB-CG2 4.34Å; W58-V64 VanDerWaalsContact O-CB 3.26Å; W58-V64 WeakPolarHBondContact O-CB 3Å; W58-V64 WeakPolarHBondContact O-CG2 3.47Å; A61-V64 HydrophobicContact CB-CG2 4.39Å; A61-V64 PolarHBondContact O-N 2.87Å; L62-V64 PolarHBondContact O-N 2.89Å; V64-L66 VanDerWaalsContact C-N 3.28Å; V64-L66 PolarHBondContact O-N 3.34Å; V64-V67 PolarHBondContact O-N 2.86Å; V64-P121 HydrophobicContact CG1-CB 4.43Å; V64-P121 HydrophobicContact CG1-CG 4.21Å; V64-P121 HydrophobicContact CG2-CB 4.41Å; V64-P121 HydrophobicContact CG2-CG 3.92Å; V64-L124 HydrophobicContact CG2-CD2 3.62Å |
| 65 | A | 92.2 | Very high | 83.4 | Confident | 54 Ų | 54 | 61.1 Ų | 61.1 | 45% | 0.446 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.1 | -31.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A61 L62 | A61-A65 PolarHBondContact O-N 2.89Å; L62-A65 PolarHBondContact O-N 2.86Å |
| 66 | L | 93.3 | Very high | 84 | Confident | 41 Ų | 41 | 68.3 Ų | 68.3 | 22% | 0.215 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -20 | 179.9 | -73.4 | 177.1 | 0 | 0 | 0 | 114.6 | L62 V64 S68 S69 L70 Y111 A125 | L62-L66 HydrophobicContact CD1-CD1 3.89Å; L62-L66 HydrophobicContact CD1-CD2 4.37Å; L62-L66 HydrophobicContact CD1-CG 3.97Å; L62-L66 HydrophobicContact CD2-CD1 4.34Å; L62-L66 HydrophobicContact CG-CD1 3.76Å; L62-L66 HydrophobicContact CG-CG 4.19Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 2.91Å; L62-L66 VanDerWaalsContact O-N 3.15Å; V64-L66 VanDerWaalsContact C-N 3.28Å; V64-L66 PolarHBondContact O-N 3.34Å; L66-S68 PolarHBondContact O-N 3Å; L66-S69 PolarHBondContact O-N 2.88Å; L66-L70 HydrophobicContact CB-CD1 4.14Å; L66-L70 VanDerWaalsContact O-CG 3.32Å; L66-L70 WeakPolarHBondContact O-CG 3.39Å; L66-L70 PolarHBondContact O-N 3.16Å; L66-L70 VanDerWaalsContact O-N 3.09Å; L66-Y111 HydrophobicContact CD1-CD1 4.22Å; L66-Y111 HydrophobicContact CD1-CD2 4.37Å; L66-Y111 HydrophobicContact CD1-CE1 3.74Å; L66-Y111 HydrophobicContact CD1-CE2 3.9Å; L66-A125 HydrophobicContact CB-CB 3.72Å; L66-A125 HydrophobicContact CD1-CB 4.25Å |
| 67 | V | 94.8 | Very high | 84 | Confident | 11 Ų | 11 | 74.8 Ų | 74.8 | 7% | 0.067 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.6 | -52.5 | -169.5 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | P63 V64 S69 L70 E71 V113 K123 | P63-V67 WeakPolarHBondContact O-CG2 2.95Å; V64-V67 PolarHBondContact O-N 2.86Å; V67-S69 VanDerWaalsContact C-N 3.29Å; V67-S69 PolarHBondContact O-N 3.38Å; V67-L70 PolarHBondContact O-N 3.33Å; V67-L70 VanDerWaalsContact O-N 3.07Å; V67-E71 HydrophobicContact CG1-CG 4.19Å; V67-E71 WeakPolarHBondContact O-CG 3.48Å; V67-E71 PolarHBondContact O-N 2.92Å; V67-V113 HydrophobicContact CG1-CG1 4.26Å; V67-K123 HydrophobicContact CG1-CB 3.77Å; V67-K123 HydrophobicContact CG1-CD 3.95Å; V67-K123 HydrophobicContact CG2-CB 4.16Å |
| 68 | S | 92.3 | Very high | 83.2 | Confident | 89 Ų | 89 | 78 Ų | 78 | 62% | 0.622 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -57.9 | -40.4 | -176.4 | -49.4 | 0 | 0 | 0 | 0 | 112.8 | L66 A72 | L66-S68 PolarHBondContact O-N 3Å; S68-A72 WeakPolarHBondContact O-CB 3.43Å; S68-A72 PolarHBondContact O-N 2.85Å |
| 69 | S | 91.6 | Very high | 82.1 | Confident | 79 Ų | 79 | 86 Ų | 86 | 55% | 0.552 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -67.8 | -38.9 | 177.7 | -54.2 | 0 | 0 | 0 | 0 | 112.2 | L66 V67 A73 | L66-S69 PolarHBondContact O-N 2.88Å; V67-S69 VanDerWaalsContact C-N 3.29Å; V67-S69 PolarHBondContact O-N 3.38Å; S69-A73 WeakPolarHBondContact O-CB 3.38Å; S69-A73 PolarHBondContact O-N 2.86Å |
| 70 | L | 92.4 | Very high | 81.5 | Confident | 45 Ų | 45 | 89.7 Ų | 89.7 | 24% | 0.236 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -69.3 | -39.2 | 177.5 | -67.6 | 170.1 | 0 | 0 | 0 | 112.2 | L66 V67 A73 G74 Y111 V113 A125 | L66-L70 HydrophobicContact CB-CD1 4.14Å; L66-L70 VanDerWaalsContact O-CG 3.32Å; L66-L70 WeakPolarHBondContact O-CG 3.39Å; L66-L70 PolarHBondContact O-N 3.16Å; L66-L70 VanDerWaalsContact O-N 3.09Å; V67-L70 PolarHBondContact O-N 3.33Å; V67-L70 VanDerWaalsContact O-N 3.07Å; L70-A73 PolarHBondContact O-N 2.79Å; L70-G74 PolarHBondContact O-N 3.16Å; L70-Y111 HydrophobicContact CD1-CG 4.14Å; L70-Y111 HydrophobicContact CD2-CD2 4.28Å; L70-Y111 HydrophobicContact CD2-CG 4.42Å; L70-V113 HydrophobicContact CB-CG2 4.09Å; L70-V113 HydrophobicContact CD1-CG2 4.35Å; L70-A125 HydrophobicContact CD1-CB 3.54Å |
| 71 | E | 92.3 | Very high | 80.1 | Confident | 67 Ų | 67 | 93.9 Ų | 93.9 | 31% | 0.313 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.9 | -46.7 | 176 | -66 | -168.2 | 132.3 | 0 | 0 | 110.8 | V67 A73 G74 H75 V113 K123 | V67-E71 HydrophobicContact CG1-CG 4.19Å; V67-E71 WeakPolarHBondContact O-CG 3.48Å; V67-E71 PolarHBondContact O-N 2.92Å; E71-A73 VanDerWaalsContact C-N 3.33Å; E71-A73 PolarHBondContact O-N 2.83Å; E71-G74 PolarHBondContact O-N 3.2Å; E71-G74 VanDerWaalsContact O-N 3.11Å; E71-H75 PolarHBondContact O-CD2 2.86Å; E71-H75 PolarHBondContact O-N 3.14Å; E71-V113 HydrophobicContact CG-CG2 4.35Å; E71-K123 WeakPolarHBondContact OE1-CD 3.49Å; E71-K123 WeakPolarHBondContact OE1-CE 3.33Å; E71-K123 IonicContact OE1-NZ 3.7Å; E71-K123 PolarHBondContact OE1-NZ 3.43Å; E71-K123 IonicContact OE2-NZ 3.51Å; E71-K123 PolarHBondContact OE2-NZ 2.76Å |
| 72 | A | 89.4 | Confident | 78.6 | Confident | 65 Ų | 65 | 99.3 Ų | 99.3 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.8 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S68 R76 | S68-A72 WeakPolarHBondContact O-CB 3.43Å; S68-A72 PolarHBondContact O-N 2.85Å; A72-R76 PolarHBondContact O-N 2.84Å |
| 73 | A | 85.5 | Confident | 77 | Confident | 41 Ų | 41 | 101.1 Ų | 101.1 | 34% | 0.339 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S69 L70 E71 R76 R77 | S69-A73 WeakPolarHBondContact O-CB 3.38Å; S69-A73 PolarHBondContact O-N 2.86Å; L70-A73 PolarHBondContact O-N 2.79Å; E71-A73 VanDerWaalsContact C-N 3.33Å; E71-A73 PolarHBondContact O-N 2.83Å; A73-R76 WeakPolarHBondContact O-CB 3.26Å; A73-R76 PolarHBondContact O-N 2.95Å; A73-R77 PolarHBondContact O-N 2.9Å |
| 74 | G | 79.6 | Confident | 75.1 | Confident | 39 Ų | 39 | 105 Ų | 105 | 40% | 0.402 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.3 | -39.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L70 E71 R76 R77 R78 | L70-G74 PolarHBondContact O-N 3.16Å; E71-G74 PolarHBondContact O-N 3.2Å; E71-G74 VanDerWaalsContact O-N 3.11Å; G74-R76 VanDerWaalsContact C-N 3.29Å; G74-R76 PolarHBondContact O-N 2.81Å; G74-R77 PolarHBondContact O-N 2.84Å; G74-R78 PolarHBondContact O-N 2.92Å; G74-R78 VanDerWaalsContact O-N 3.14Å |
| 75 | H | 70.9 | Confident | 73.4 | Confident | 152 Ų | 152 | 107 Ų | 107 | 70% | 0.704 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.6 | -38.3 | 173.1 | -72.8 | -66.5 | 0 | 0 | 0 | 112.2 | E71 | E71-H75 PolarHBondContact O-CD2 2.86Å; E71-H75 PolarHBondContact O-N 3.14Å |
| 76 | R | 67.9 | Low | 72 | Confident | 216 Ų | 216 | 110.4 Ų | 110.4 | 82% | 0.815 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.3 | -44.1 | 174.7 | -170.6 | 176.4 | 179.1 | 178.5 | -0.6 | 112.3 | A72 A73 G74 R78 | A72-R76 PolarHBondContact O-N 2.84Å; A73-R76 WeakPolarHBondContact O-CB 3.26Å; A73-R76 PolarHBondContact O-N 2.95Å; G74-R76 VanDerWaalsContact C-N 3.29Å; G74-R76 PolarHBondContact O-N 2.81Å; R76-R78 VanDerWaalsContact C-N 3.3Å; R76-R78 PolarHBondContact O-N 3.13Å |
| 77 | R | 63.8 | Low | 71.5 | Confident | 161 Ų | 161 | 116.6 Ų | 116.6 | 61% | 0.608 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.6 | -11.9 | -179 | -68.4 | -169.2 | -161.7 | -172.3 | 5.9 | 115.1 | A73 G74 H79 E80 | A73-R77 PolarHBondContact O-N 2.9Å; G74-R77 PolarHBondContact O-N 2.84Å; R77-H79 PolarHBondContact O-N 3.12Å; R77-H79 VanDerWaalsContact O-N 3.07Å; R77-E80 PolarHBondContact O-N 3.2Å |
| 78 | R | 57.7 | Low | 71.4 | Confident | 226 Ų | 226 | 117.2 Ų | 117.2 | 85% | 0.853 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -16.3 | 174.5 | -177.4 | 172.7 | -82.7 | -134.9 | 0.1 | 113 | G74 R76 | G74-R78 PolarHBondContact O-N 2.92Å; G74-R78 VanDerWaalsContact O-N 3.14Å; R76-R78 VanDerWaalsContact C-N 3.3Å; R76-R78 PolarHBondContact O-N 3.13Å |
| 79 | H | 53.5 | Low | 71.4 | Confident | 188 Ų | 188 | 115 Ų | 115 | 87% | 0.87 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -10.2 | 172.1 | -117.3 | 74.8 | 0 | 0 | 0 | 114.5 | R77 | R77-H79 PolarHBondContact O-N 3.12Å; R77-H79 VanDerWaalsContact O-N 3.07Å |
| 80 | E | 52.8 | Low | 71.4 | Confident | 139 Ų | 139 | 114.8 Ų | 114.8 | 65% | 0.65 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -107 | 143.7 | -178.6 | -70.1 | -179.6 | 130.7 | 0 | 0 | 111.6 | R77 | R77-E80 PolarHBondContact O-N 3.2Š|
| 81 | R | 49.1 | Very low | 71.3 | Confident | 238 Ų | 238 | 114 Ų | 114 | 90% | 0.898 | 60% | 0.595 | S | S | * | * | trans | -68.4 | 134.4 | -175 | -155.7 | 173.1 | -169 | 154.6 | 1 | 109.9 | S83 | R81-S83 PolarHBondContact O-N 3.46Š| ||
| 82 | P | 55.3 | Low | 71 | Confident | 127 Ų | 127 | 117.5 Ų | 117.5 | 83% | 0.825 | 61% | 0.605 | S | S | * | * | trans | -60.1 | 109.9 | 179.2 | -23.4 | 33.4 | 0 | 0 | 0 | 111.4 | ||||
| 83 | S | 54.9 | Low | 70.2 | Confident | 114 Ų | 114 | 118.2 Ų | 118.2 | 80% | 0.797 | 60% | 0.604 | S | S | * | * | trans | -73.1 | 139.5 | 171.8 | 56.7 | 0 | 0 | 0 | 0 | 109.8 | R81 A85 | R81-S83 PolarHBondContact O-N 3.46Å; S83-A85 PolarHBondContact O-N 2.84Å | ||
| 84 | A | 54.4 | Low | 69.6 | Low | 84 Ų | 84 | 123 Ų | 123 | 69% | 0.694 | 62% | 0.62 | S | S | * | * | trans | -64.3 | 108.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T86 | A84-T86 PolarHBondContact O-N 2.89Š| ||
| 85 | A | 58.5 | Low | 69.2 | Low | 70 Ų | 70 | 127 Ų | 127 | 58% | 0.579 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 24.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S83 | S83-A85 PolarHBondContact O-N 2.84Š|
| 86 | T | 62.2 | Low | 69.4 | Low | 126 Ų | 126 | 121 Ų | 121 | 77% | 0.773 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | -13.9 | -165.3 | -39.1 | 0 | 0 | 0 | 0 | 113.2 | A84 | A84-T86 PolarHBondContact O-N 2.89Š|
| 87 | Q | 83.4 | Confident | 69.7 | Low | 171 Ų | 171 | 117 Ų | 117 | 80% | 0.799 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -121.6 | 139.8 | -177.6 | -64.9 | -179.1 | 3.7 | 0 | 0 | 110.8 | ||
| 88 | C | 92.3 | Very high | 70.6 | Confident | 24 Ų | 24 | 118.5 Ų | 118.5 | 16% | 0.162 | 61% | 0.61 | C | S | . | * | P | Polyproline II helix | trans | -62.4 | 131.5 | 172.7 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | C131 E142 | C88-C131 HydrophobicContact CB-CB 3.75Å; C88-C131 WeakPolarHBondContact CB-SG 3.22Å; C88-C131 WeakPolarHBondContact SG-CB 3.44Å; C88-C131 CovalentContact SG-SG 2.03Å; C88-C131 PolarHBondContact SG-SG 2.91Å; C88-E142 HydrophobicContact CB-CB 4.08Å; C88-E142 HydrophobicContact CB-CG 4.24Å; C88-E142 WeakPolarHBondContact CB-OE2 3.49Å |
| 89 | P | 92.3 | Very high | 71.9 | Confident | 43 Ų | 43 | 108.7 Ų | 108.7 | 28% | 0.279 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 152.6 | 179.2 | 27.8 | -35.9 | 0 | 0 | 0 | 111.4 | P108 L130 I135 | P89-P108 HydrophobicContact CG-CB 4.48Å; P89-P108 HydrophobicContact CG-CG 3.83Å; P89-L130 HydrophobicContact CG-CD1 4.14Å; P89-I135 HydrophobicContact CG-CD1 4.34Å; P89-I135 VanDerWaalsContact O-CD1 3.27Å; P89-I135 WeakPolarHBondContact O-CD1 3.49Å |
| 90 | V | 92.2 | Very high | 73.6 | Confident | 74 Ų | 74 | 104.6 Ų | 104.6 | 45% | 0.448 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -91.9 | 123 | 166.8 | 178.4 | 0 | 0 | 0 | 0 | 107.6 | G140 R141 | V90-G140 CarbonylContact C-O 3.59Å; V90-G140 VanDerWaalsContact CA-O 3.22Å; V90-G140 WeakPolarHBondContact CA-O 3.46Å; V90-G140 WeakPolarHBondContact CG1-O 3.34Å; V90-R141 HydrophobicContact CG1-CG 4.44Å; V90-R141 HydrophobicContact CG2-CG 4.46Å |
| 91 | L | 89.6 | Confident | 75.6 | Confident | 28 Ų | 28 | 102.2 Ų | 102.2 | 15% | 0.147 | 56% | 0.557 | C | S | . | * | P | Polyproline II helix | trans | -94.5 | 130 | 176.4 | -62.1 | -178.1 | 0 | 0 | 0 | 110.6 | V96 Q103 S105 I135 G140 | L91-V96 HydrophobicContact CD2-CG1 4.16Å; L91-Q103 WeakPolarHBondContact CD2-O 3.32Å; L91-S105 WeakPolarHBondContact CD1-O 3.08Å; L91-I135 HydrophobicContact CB-CG2 4.31Å; L91-I135 HydrophobicContact CD1-CD1 3.77Å; L91-I135 HydrophobicContact CD1-CG2 4.33Å; L91-I135 HydrophobicContact CG-CD1 3.67Å; L91-I135 HydrophobicContact CG-CG2 4.36Å; L91-G140 PolarHBondContact N-O 3.05Å; L91-G140 WeakPolarHBondContact O-CA 3.44Å |
| 92 | R | 85.5 | Confident | 77.7 | Confident | 141 Ų | 141 | 92.5 Ų | 92.5 | 53% | 0.532 | 52% | 0.522 | S | S | . | . | trans | -112 | 120.2 | 171.3 | -72.8 | 164.2 | 170.1 | -179.5 | -0.9 | 108.2 | E94 E95 V96 | R92-E94 PolarHBondContact O-N 2.98Å; R92-E95 HydrophobicContact CB-CB 4.24Å; R92-E95 HydrophobicContact CB-CG 3.98Å; R92-E95 WeakPolarHBondContact CD-OE1 3.48Å; R92-E95 WeakPolarHBondContact CD-OE2 3.41Å; R92-E95 IonicContact CZ-OE1 3.79Å; R92-E95 IonicContact NE-OE1 3.35Å; R92-E95 IonicContact NH1-OE1 2.85Å; R92-E95 PolarHBondContact NH1-OE1 2.72Å; R92-E95 PolarHBondContact O-N 2.73Å; R92-V96 WeakPolarHBondContact O-CG2 3.29Å | ||
| 93 | P | 73.6 | Confident | 79.5 | Confident | 80 Ų | 80 | 90.6 Ų | 90.6 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -32.9 | -173.7 | -30.5 | 36.5 | 0 | 0 | 0 | 114.8 | ||
| 94 | E | 72.6 | Confident | 81.3 | Confident | 142 Ų | 142 | 92 Ų | 92 | 66% | 0.664 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -28.2 | -179.1 | -54.1 | 72.1 | -156.1 | 0 | 0 | 112.9 | R92 | R92-E94 PolarHBondContact O-N 2.98Š|
| 95 | E | 71.5 | Confident | 83.2 | Confident | 124 Ų | 124 | 89 Ų | 89 | 58% | 0.579 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -11.5 | -174.8 | -64.4 | 176.8 | -178.3 | 0 | 0 | 113.2 | R92 | R92-E95 HydrophobicContact CB-CB 4.24Å; R92-E95 HydrophobicContact CB-CG 3.98Å; R92-E95 WeakPolarHBondContact CD-OE1 3.48Å; R92-E95 WeakPolarHBondContact CD-OE2 3.41Å; R92-E95 IonicContact CZ-OE1 3.79Å; R92-E95 IonicContact NE-OE1 3.35Å; R92-E95 IonicContact NH1-OE1 2.85Å; R92-E95 PolarHBondContact NH1-OE1 2.72Å; R92-E95 PolarHBondContact O-N 2.73Å |
| 96 | V | 73.8 | Confident | 85 | Confident | 25 Ų | 25 | 89 Ų | 89 | 15% | 0.152 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -111.3 | 10.9 | -173.1 | -98 | 0 | 0 | 0 | 0 | 115.2 | L91 R92 A99 R104 | L91-V96 HydrophobicContact CD2-CG1 4.16Å; R92-V96 WeakPolarHBondContact O-CG2 3.29Å; V96-A99 HydrophobicContact CB-CB 4.18Å; V96-A99 HydrophobicContact CG1-CB 3.77Å; V96-A99 PolarHBondContact O-N 3.3Å; V96-R104 HydrophobicContact CB-CB 3.73Å; V96-R104 HydrophobicContact CG1-CB 3.77Å |
| 97 | L | 75.7 | Confident | 86.7 | Confident | 131 Ų | 131 | 83.2 Ų | 83.2 | 69% | 0.686 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -46.9 | 178.9 | -66.5 | 175.8 | 0 | 0 | 0 | 112.8 | A99 | L97-A99 VanDerWaalsContact C-N 3.34Š|
| 98 | E | 80.9 | Confident | 87.3 | Confident | 193 Ų | 193 | 75.1 Ų | 75.1 | 90% | 0.902 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 6.9 | 179.2 | -60.2 | -56.7 | 133.5 | 0 | 0 | 113.5 | ||
| 99 | A | 85.5 | Confident | 87.5 | Confident | 21 Ų | 21 | 75.2 Ų | 75.2 | 17% | 0.174 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -88.2 | 148.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V96 L97 Q103 R104 | V96-A99 HydrophobicContact CB-CB 4.18Å; V96-A99 HydrophobicContact CG1-CB 3.77Å; V96-A99 PolarHBondContact O-N 3.3Å; L97-A99 VanDerWaalsContact C-N 3.34Å; A99-Q103 HydrophobicContact CB-CB 4.07Å; A99-R104 WeakPolarHBondContact O-CD 3.08Å |
| 100 | D | 90.3 | Very high | 87.6 | Confident | 102 Ų | 102 | 77.6 Ų | 77.6 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | trans | -61.3 | 152.5 | 176.1 | -82.5 | -39.4 | 0 | 0 | 0 | 111.7 | H102 Q103 R104 | D100-H102 WeakPolarHBondContact CB-CE1 3.45Å; D100-H102 WeakPolarHBondContact CB-ND1 3.16Å; D100-H102 PolarHBondContact O-N 3.14Å; D100-H102 IonicContact OD2-CE1 3.22Å; D100-H102 PolarHBondContact OD2-CE1 2.99Å; D100-H102 VanDerWaalsContact OD2-CE1 3.28Å; D100-H102 IonicContact OD2-ND1 2.74Å; D100-Q103 HydrophobicContact CB-CG 4.34Å; D100-Q103 WeakPolarHBondContact O-CA 3.09Å; D100-Q103 WeakPolarHBondContact O-CB 3.06Å; D100-Q103 PolarHBondContact O-N 3.39Å; D100-R104 PolarHBondContact O-N 3.35Å; D100-R104 VanDerWaalsContact O-N 3.14Å | ||
| 101 | T | 93.1 | Very high | 87.8 | Confident | 89 Ų | 89 | 76.3 Ų | 76.3 | 55% | 0.546 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -49.1 | -33.6 | 177.1 | -59.8 | 0 | 0 | 0 | 0 | 113.9 | Q103 S105 W109 | T101-Q103 VanDerWaalsContact C-N 3.32Å; T101-Q103 PolarHBondContact O-N 2.84Å; T101-S105 WeakPolarHBondContact O-CB 3.48Å; T101-S105 PolarHBondContact O-N 3.29Å; T101-S105 VanDerWaalsContact O-N 3.16Å; T101-W109 HydrophobicContact CG2-CH2 4.39Å |
| 102 | H | 93.9 | Very high | 88 | Confident | 33 Ų | 33 | 79.8 Ų | 79.8 | 15% | 0.153 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70.5 | -25.7 | 178.6 | 71 | -93.9 | 0 | 0 | 0 | 113.9 | D100 P108 W109 Y111 | D100-H102 WeakPolarHBondContact CB-CE1 3.45Å; D100-H102 WeakPolarHBondContact CB-ND1 3.16Å; D100-H102 PolarHBondContact O-N 3.14Å; D100-H102 IonicContact OD2-CE1 3.22Å; D100-H102 PolarHBondContact OD2-CE1 2.99Å; D100-H102 VanDerWaalsContact OD2-CE1 3.28Å; D100-H102 IonicContact OD2-ND1 2.74Å; H102-P108 WeakPolarHBondContact O-CA 3.26Å; H102-P108 WeakPolarHBondContact O-CB 3.27Å; H102-W109 HydrophobicContact CB-CD2 3.79Å; H102-W109 HydrophobicContact CB-CE3 4.47Å; H102-W109 HydrophobicContact CB-CG 4.1Å; H102-W109 HydrophobicContact CB-CH2 4.48Å; H102-W109 HydrophobicContact CB-CZ2 3.79Å; H102-W109 PolarHBondContact CD2-O 2.74Å; H102-W109 PolarHBondContact O-N 2.85Å; H102-W109 VanDerWaalsContact O-N 3.13Å; H102-Y111 HydrophobicContact CB-CE2 4.36Å |
| 103 | Q | 92.3 | Very high | 88.5 | Confident | 88 Ų | 88 | 75 Ų | 75 | 41% | 0.411 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -88.4 | -40.4 | -180 | -54 | 177.9 | -83.6 | 0 | 0 | 111.6 | L91 A99 D100 T101 | L91-Q103 WeakPolarHBondContact CD2-O 3.32Å; A99-Q103 HydrophobicContact CB-CB 4.07Å; D100-Q103 HydrophobicContact CB-CG 4.34Å; D100-Q103 WeakPolarHBondContact O-CA 3.09Å; D100-Q103 WeakPolarHBondContact O-CB 3.06Å; D100-Q103 PolarHBondContact O-N 3.39Å; T101-Q103 VanDerWaalsContact C-N 3.32Å; T101-Q103 PolarHBondContact O-N 2.84Å |
| 104 | R | 93.1 | Very high | 89.6 | Confident | 142 Ų | 142 | 72.5 Ų | 72.5 | 54% | 0.536 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -89.2 | 0.7 | -178.8 | 71 | -176.3 | -172.6 | 133.7 | 6.5 | 115.2 | V96 A99 D100 | V96-R104 HydrophobicContact CB-CB 3.73Å; V96-R104 HydrophobicContact CG1-CB 3.77Å; A99-R104 WeakPolarHBondContact O-CD 3.08Å; D100-R104 PolarHBondContact O-N 3.35Å; D100-R104 VanDerWaalsContact O-N 3.14Å |
| 105 | S | 95.6 | Very high | 90.7 | Very high | 21 Ų | 21 | 69 Ų | 69 | 15% | 0.147 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -67.1 | 138.9 | 173.2 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | L91 T101 S107 P108 | L91-S105 WeakPolarHBondContact CD1-O 3.08Å; T101-S105 WeakPolarHBondContact O-CB 3.48Å; T101-S105 PolarHBondContact O-N 3.29Å; T101-S105 VanDerWaalsContact O-N 3.16Å; S105-S107 PolarHBondContact O-N 3.34Å; S105-S107 VanDerWaalsContact O-N 3.16Å; S105-S107 PolarHBondContact OG-N 3.16Å; S105-S107 PolarHBondContact OG-O 2.86Å; S105-S107 PolarHBondContact OG-OG 3.05Å; S105-P108 VanDerWaalsContact O-CD 3.26Å; S105-P108 WeakPolarHBondContact O-CD 3.33Å |
| 106 | I | 95.9 | Very high | 91.9 | Very high | 72 Ų | 72 | 64.7 Ų | 64.7 | 37% | 0.369 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -65.4 | -11.9 | 169.7 | 62 | 167.3 | 0 | 0 | 0 | 113.4 | C134 I135 C191 | I106-C134 CarbonylContact O-C 3.45Å; I106-C134 WeakPolarHBondContact O-CA 3.11Å; I106-C134 WeakPolarHBondContact O-CB 3.02Å; I106-I135 PolarHBondContact O-N 3.05Å; I106-C191 HydrophobicContact CD1-CB 3.96Å; I106-C191 HydrophobicContact CG1-CB 4.18Å |
| 107 | S | 97.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.028 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -123.8 | 73.1 | 168.7 | 45.7 | 0 | 0 | 0 | 0 | 107.1 | S105 W109 S148 C189 T190 C191 | S105-S107 PolarHBondContact O-N 3.34Å; S105-S107 VanDerWaalsContact O-N 3.16Å; S105-S107 PolarHBondContact OG-N 3.16Å; S105-S107 PolarHBondContact OG-O 2.86Å; S105-S107 PolarHBondContact OG-OG 3.05Å; S107-W109 VanDerWaalsContact O-CE3 3.31Å; S107-S148 WeakPolarHBondContact CA-OG 3.4Å; S107-S148 WeakPolarHBondContact CB-OG 3.23Å; S107-C189 PolarHBondContact OG-O 2.57Å; S107-T190 WeakPolarHBondContact OG-CA 3.4Å; S107-C191 PolarHBondContact OG-N 3.34Å |
| 108 | P | 96.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | trans | -72.7 | 152 | -166.9 | 29.1 | -33.9 | 0 | 0 | 0 | 111.6 | P89 H102 S105 C129 L130 I135 | P89-P108 HydrophobicContact CG-CB 4.48Å; P89-P108 HydrophobicContact CG-CG 3.83Å; H102-P108 WeakPolarHBondContact O-CA 3.26Å; H102-P108 WeakPolarHBondContact O-CB 3.27Å; S105-P108 VanDerWaalsContact O-CD 3.26Å; S105-P108 WeakPolarHBondContact O-CD 3.33Å; P108-C129 WeakPolarHBondContact O-CA 3.48Å; P108-L130 HydrophobicContact CB-CD1 4.29Å; P108-L130 HydrophobicContact CG-CB 4.37Å; P108-L130 PolarHBondContact O-N 2.93Å; P108-I135 HydrophobicContact CG-CD1 3.8Å | ||
| 109 | W | 96.5 | Very high | 94.3 | Very high | 26 Ų | 26 | 56.5 Ų | 56.5 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.4 | 178.7 | 66.7 | 96.9 | 0 | 0 | 0 | 111.5 | T101 H102 S107 Y111 A127 E128 C189 | T101-W109 HydrophobicContact CG2-CH2 4.39Å; H102-W109 HydrophobicContact CB-CD2 3.79Å; H102-W109 HydrophobicContact CB-CE3 4.47Å; H102-W109 HydrophobicContact CB-CG 4.1Å; H102-W109 HydrophobicContact CB-CH2 4.48Å; H102-W109 HydrophobicContact CB-CZ2 3.79Å; H102-W109 PolarHBondContact CD2-O 2.74Å; H102-W109 PolarHBondContact O-N 2.85Å; H102-W109 VanDerWaalsContact O-N 3.13Å; S107-W109 VanDerWaalsContact O-CE3 3.31Å; W109-Y111 AromaticContact CD1-CE1 3.99Å; W109-Y111 AromaticContact CD1-CZ 3.9Å; W109-Y111 AromaticContact NE1-CE1 3.61Å; W109-Y111 AromaticContact NE1-CE2 3.63Å; W109-Y111 AromaticContact NE1-CZ 3.18Å; W109-Y111 PolarHBondContact NE1-OH 2.89Å; W109-Y111 VanDerWaalsContact NE1-OH 3.12Å; W109-A127 HydrophobicContact CB-CB 4.42Å; W109-A127 HydrophobicContact CG-CB 4.08Å; W109-E128 CarbonylContact C-O 3.5Å; W109-E128 WeakPolarHBondContact CA-O 3.47Å; W109-E128 WeakPolarHBondContact CB-O 3.37Å; W109-C189 HydrophobicContact CB-CB 4.29Å; W109-C189 HydrophobicContact CE3-CB 4.04Å; W109-C189 VanDerWaalsContact CE3-N 3.29Å; W109-C189 VanDerWaalsContact CZ3-O 3.3Å; W109-C189 WeakPolarHBondContact CZ3-O 3.33Å |
| 110 | R | 94.8 | Very high | 94.6 | Very high | 92 Ų | 92 | 58.1 Ų | 58.1 | 35% | 0.347 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 159.7 | 162.4 | 62.6 | -178.1 | 177.8 | -104.6 | -2.3 | 109.3 | A127 E128 L130 | R110-A127 WeakPolarHBondContact O-CA 3.42Å; R110-E128 HydrophobicContact CG-CB 3.99Å; R110-E128 IonicContact CZ-OE2 3.75Å; R110-E128 VanDerWaalsContact CZ-OE2 3.22Å; R110-E128 PolarHBondContact N-O 3.15Å; R110-E128 IonicContact NE-OE2 3.22Å; R110-E128 PolarHBondContact NE-OE2 3.28Å; R110-E128 IonicContact NH2-OE2 2.82Å; R110-E128 PolarHBondContact NH2-OE2 3.26Å; R110-E128 PolarHBondContact O-N 2.9Å; R110-L130 HydrophobicContact CB-CD2 4.05Å; R110-L130 HydrophobicContact CG-CD2 3.79Å; R110-L130 VanDerWaalsContact NH1-CD2 3.27Å |
| 111 | Y | 95.4 | Very high | 94.8 | Very high | 47 Ų | 47 | 54 Ų | 54 | 18% | 0.184 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 138 | 164.6 | -64.6 | -75.2 | 0 | 0 | 0 | 110.8 | L66 L70 H102 W109 A125 F126 A127 V187 | L66-Y111 HydrophobicContact CD1-CD1 4.22Å; L66-Y111 HydrophobicContact CD1-CD2 4.37Å; L66-Y111 HydrophobicContact CD1-CE1 3.74Å; L66-Y111 HydrophobicContact CD1-CE2 3.9Å; L70-Y111 HydrophobicContact CD1-CG 4.14Å; L70-Y111 HydrophobicContact CD2-CD2 4.28Å; L70-Y111 HydrophobicContact CD2-CG 4.42Å; H102-Y111 HydrophobicContact CB-CE2 4.36Å; W109-Y111 AromaticContact CD1-CE1 3.99Å; W109-Y111 AromaticContact CD1-CZ 3.9Å; W109-Y111 AromaticContact NE1-CE1 3.61Å; W109-Y111 AromaticContact NE1-CE2 3.63Å; W109-Y111 AromaticContact NE1-CZ 3.18Å; W109-Y111 PolarHBondContact NE1-OH 2.89Å; W109-Y111 VanDerWaalsContact NE1-OH 3.12Å; Y111-A125 HydrophobicContact CD1-CB 4.18Å; Y111-F126 CarbonylContact C-O 3.57Å; Y111-F126 WeakPolarHBondContact CA-O 3.4Å; Y111-A127 HydrophobicContact CD1-CB 4.28Å; Y111-A127 HydrophobicContact CE1-CB 4.12Å; Y111-V187 PolarHBondContact OH-O 3.01Å |
| 112 | R | 94.4 | Very high | 94.9 | Very high | 102 Ų | 102 | 51.5 Ų | 51.5 | 39% | 0.385 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 139.6 | 164.3 | -178.4 | -176.8 | 61.3 | 78.8 | -2.3 | 108 | D114 F126 E128 | R112-D114 IonicContact CZ-OD2 3.2Å; R112-D114 IonicContact NH1-OD2 3.31Å; R112-D114 PolarHBondContact NH1-OD2 2.73Å; R112-D114 IonicContact NH2-OD2 2.86Å; R112-D114 PolarHBondContact NH2-OD2 2.9Å; R112-D114 PolarHBondContact O-N 3.02Å; R112-F126 PolarHBondContact N-O 3.22Å; R112-F126 PolarHBondContact O-N 2.9Å; R112-E128 VanDerWaalsContact CD-OE1 3.31Å; R112-E128 WeakPolarHBondContact CD-OE1 3.22Å; R112-E128 IonicContact CZ-OE1 3.14Å; R112-E128 IonicContact NE-OE1 2.85Å; R112-E128 PolarHBondContact NE-OE1 2.81Å |
| 113 | V | 96.1 | Very high | 94.9 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 24% | 0.236 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 122.7 | 167.9 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | V67 L70 E71 K123 | V67-V113 HydrophobicContact CG1-CG1 4.26Å; L70-V113 HydrophobicContact CB-CG2 4.09Å; L70-V113 HydrophobicContact CD1-CG2 4.35Å; E71-V113 HydrophobicContact CG-CG2 4.35Å; V113-K123 HydrophobicContact CG1-CB 3.95Å; V113-K123 HydrophobicContact CG1-CD 4.25Å; V113-K123 HydrophobicContact CG1-CG 4.16Å |
| 114 | D | 96.8 | Very high | 95.1 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 114.7 | 175.1 | -168.7 | -100.9 | 0 | 0 | 0 | 109.4 | R112 R119 K123 L124 F126 | R112-D114 IonicContact CZ-OD2 3.2Å; R112-D114 IonicContact NH1-OD2 3.31Å; R112-D114 PolarHBondContact NH1-OD2 2.73Å; R112-D114 IonicContact NH2-OD2 2.86Å; R112-D114 PolarHBondContact NH2-OD2 2.9Å; R112-D114 PolarHBondContact O-N 3.02Å; D114-R119 PolarHBondContact O-NH2 2.77Å; D114-R119 VanDerWaalsContact O-NH2 3.14Å; D114-R119 IonicContact OD1-CZ 3.93Å; D114-R119 IonicContact OD1-NH1 3.05Å; D114-R119 PolarHBondContact OD1-NH1 3.3Å; D114-R119 VanDerWaalsContact OD1-NH1 3.11Å; D114-R119 IonicContact OD1-NH2 2.86Å; D114-R119 PolarHBondContact OD1-NH2 2.9Å; D114-K123 CarbonylContact O-C 3.59Å; D114-K123 VanDerWaalsContact O-CA 3.28Å; D114-K123 WeakPolarHBondContact O-CA 3.05Å; D114-L124 WeakPolarHBondContact CB-O 3.22Å; D114-L124 PolarHBondContact N-O 3.46Å; D114-L124 PolarHBondContact O-N 2.85Å; D114-F126 HydrophobicContact CB-CB 4.37Å; D114-F126 HydrophobicContact CB-CD1 3.45Å; D114-F126 VanDerWaalsContact CB-CD1 3.45Å; D114-F126 HydrophobicContact CB-CD2 4.2Å; D114-F126 HydrophobicContact CB-CE1 3.67Å; D114-F126 HydrophobicContact CB-CE2 4.37Å; D114-F126 HydrophobicContact CB-CG 3.76Å; D114-F126 HydrophobicContact CB-CZ 4.12Å |
| 115 | T | 96.2 | Very high | 95.3 | Very high | 68 Ų | 68 | 42.8 Ų | 42.8 | 42% | 0.417 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 127.6 | -179.6 | -50.5 | 0 | 0 | 0 | 0 | 109.6 | E117 K123 | T115-E117 VanDerWaalsContact CG2-OE1 3.31Å; T115-E117 WeakPolarHBondContact CG2-OE1 3.47Å; T115-K123 HydrophobicContact CG2-CG 4.19Å |
| 116 | D | 95.7 | Very high | 95.4 | Very high | 35 Ų | 35 | 43.4 Ų | 43.4 | 19% | 0.187 | 20% | 0.203 | C | C | . | . | trans | -134.9 | 106.2 | -179.7 | 179.5 | -15.8 | 0 | 0 | 0 | 107 | D118 R119 Q122 R159 | D116-D118 PolarHBondContact O-N 2.88Å; D116-D118 PolarHBondContact OD1-N 2.97Å; D116-R119 HydrophobicContact CB-CB 3.75Å; D116-R119 VanDerWaalsContact CG-CB 3.43Å; D116-R119 PolarHBondContact O-N 3.27Å; D116-R119 VanDerWaalsContact O-N 3.13Å; D116-R119 WeakPolarHBondContact OD2-CD 3.42Å; D116-R119 IonicContact OD2-CZ 3.86Å; D116-R119 IonicContact OD2-NE 2.74Å; D116-R119 IonicContact OD2-NH1 2.67Å; D116-R119 PolarHBondContact OD2-NH1 3.11Å; D116-Q122 PolarHBondContact N-O 3.14Å; D116-Q122 VanDerWaalsContact N-O 3.1Å; D116-Q122 WeakPolarHBondContact O-CA 3.47Å; D116-R159 IonicContact OD1-NH1 3.45Å; D116-R159 IonicContact OD2-CZ 3.66Å; D116-R159 IonicContact OD2-NH1 3.79Å; D116-R159 PolarHBondContact OD2-NH1 2.93Å | ||
| 117 | E | 93.8 | Very high | 95.5 | Very high | 89 Ų | 89 | 40 Ų | 40 | 42% | 0.416 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.1 | -169.9 | -67 | -56.7 | 145.7 | 0 | 0 | 113.2 | L44 T115 Q122 R160 | L44-E117 HydrophobicContact CD1-CB 4.32Å; L44-E117 WeakPolarHBondContact CD2-OE2 3.31Å; L44-E117 WeakPolarHBondContact CG-OE2 3.32Å; T115-E117 VanDerWaalsContact CG2-OE1 3.31Å; T115-E117 WeakPolarHBondContact CG2-OE1 3.47Å; E117-Q122 PolarHBondContact O-NE2 3.48Å; E117-Q122 PolarHBondContact OE2-NE2 3.39Å; E117-R160 PolarHBondContact O-NH2 2.83Å |
| 118 | D | 93.5 | Very high | 95.5 | Very high | 74 Ų | 74 | 41.7 Ų | 41.7 | 40% | 0.396 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 18.6 | 178.2 | -68.2 | -45.8 | 0 | 0 | 0 | 112.8 | D116 R159 R160 | D116-D118 PolarHBondContact O-N 2.88Å; D116-D118 PolarHBondContact OD1-N 2.97Å; D118-R159 CarbonylContact O-C 3.56Å; D118-R159 WeakPolarHBondContact O-CA 3.43Å; D118-R160 HydrophobicContact CB-CB 4.19Å; D118-R160 PolarHBondContact O-N 3.26Å; D118-R160 IonicContact OD1-CZ 3.32Å; D118-R160 IonicContact OD1-NE 2.89Å; D118-R160 PolarHBondContact OD1-NE 3.07Å; D118-R160 IonicContact OD1-NH2 2.65Å; D118-R160 PolarHBondContact OD1-NH2 2.73Å |
| 119 | R | 93.9 | Very high | 95.5 | Very high | 13 Ų | 13 | 43 Ų | 43 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144 | 177.9 | -171.3 | 175.1 | 67.7 | -149.4 | 7.4 | 111.1 | D114 D116 P121 Q122 V157 L158 | D114-R119 PolarHBondContact O-NH2 2.77Å; D114-R119 VanDerWaalsContact O-NH2 3.14Å; D114-R119 IonicContact OD1-CZ 3.93Å; D114-R119 IonicContact OD1-NH1 3.05Å; D114-R119 PolarHBondContact OD1-NH1 3.3Å; D114-R119 VanDerWaalsContact OD1-NH1 3.11Å; D114-R119 IonicContact OD1-NH2 2.86Å; D114-R119 PolarHBondContact OD1-NH2 2.9Å; D116-R119 HydrophobicContact CB-CB 3.75Å; D116-R119 VanDerWaalsContact CG-CB 3.43Å; D116-R119 PolarHBondContact O-N 3.27Å; D116-R119 VanDerWaalsContact O-N 3.13Å; D116-R119 WeakPolarHBondContact OD2-CD 3.42Å; D116-R119 IonicContact OD2-CZ 3.86Å; D116-R119 IonicContact OD2-NE 2.74Å; D116-R119 IonicContact OD2-NH1 2.67Å; D116-R119 PolarHBondContact OD2-NH1 3.11Å; R119-P121 PolarHBondContact NE-O 3.26Å; R119-P121 CarbonylContact O-C 3.43Å; R119-Q122 PolarHBondContact NH2-O 2.78Å; R119-Q122 WeakPolarHBondContact O-CA 3.3Å; R119-Q122 WeakPolarHBondContact O-CG 3.42Å; R119-Q122 PolarHBondContact O-N 2.95Å; R119-Q122 VanDerWaalsContact O-N 3.14Å; R119-V157 HydrophobicContact CG-CB 3.86Å; R119-V157 HydrophobicContact CG-CG1 4.13Å; R119-V157 HydrophobicContact CG-CG2 4Å; R119-L158 CarbonylContact C-O 3.56Å; R119-L158 WeakPolarHBondContact CA-O 3.17Å |
| 120 | Y | 92.5 | Very high | 95.5 | Very high | 56 Ų | 56 | 44.3 Ų | 44.3 | 22% | 0.22 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 125.6 | 164.8 | -174 | -85 | 0 | 0 | 0 | 110.4 | G45 A47 L52 W58 V157 L158 | G45-Y120 WeakPolarHBondContact O-CD2 3.48Å; G45-Y120 WeakPolarHBondContact O-CE2 3.39Å; A47-Y120 HydrophobicContact CB-CD1 3.72Å; A47-Y120 HydrophobicContact CB-CD2 3.62Å; A47-Y120 HydrophobicContact CB-CE1 3.96Å; A47-Y120 HydrophobicContact CB-CE2 3.85Å; A47-Y120 HydrophobicContact CB-CG 3.55Å; L52-Y120 HydrophobicContact CD2-CD1 4.19Å; L52-Y120 HydrophobicContact CD2-CE1 3.43Å; L52-Y120 VanDerWaalsContact CD2-CE1 3.43Å; W58-Y120 HydrophobicContact CE3-CE1 4.32Å; W58-Y120 HydrophobicContact CZ3-CE1 4.48Å; Y120-V157 WeakPolarHBondContact O-CA 3.41Å; Y120-V157 WeakPolarHBondContact O-CB 3.47Å; Y120-L158 HydrophobicContact CD1-CD1 4.31Å; Y120-L158 PolarHBondContact N-O 3.14Å; Y120-L158 PolarHBondContact O-N 2.8Å |
| 121 | P | 93.7 | Very high | 95.6 | Very high | 16 Ų | 16 | 40.4 Ų | 40.4 | 10% | 0.104 | 20% | 0.197 | C | C | . | . | S | Bend | cis | -64.3 | 141.9 | -8.5 | -22.8 | 36.1 | 0 | 0 | 0 | 112.9 | W58 V64 R119 L124 | W58-P121 HydrophobicContact CB-CG 3.98Å; W58-P121 HydrophobicContact CG-CG 4.12Å; V64-P121 HydrophobicContact CG1-CB 4.43Å; V64-P121 HydrophobicContact CG1-CG 4.21Å; V64-P121 HydrophobicContact CG2-CB 4.41Å; V64-P121 HydrophobicContact CG2-CG 3.92Å; R119-P121 PolarHBondContact NE-O 3.26Å; R119-P121 CarbonylContact O-C 3.43Å; P121-L124 HydrophobicContact CB-CD2 4.4Å |
| 122 | Q | 94.3 | Very high | 95.6 | Very high | 35 Ų | 35 | 48.5 Ų | 48.5 | 16% | 0.164 | 23% | 0.227 | C | C | . | . | trans | -64.6 | -51.8 | -178.5 | -71.8 | -175.1 | -43.4 | 0 | 0 | 111.5 | G45 D116 E117 R119 | G45-Q122 VanDerWaalsContact CA-OE1 3.27Å; D116-Q122 PolarHBondContact N-O 3.14Å; D116-Q122 VanDerWaalsContact N-O 3.1Å; D116-Q122 WeakPolarHBondContact O-CA 3.47Å; E117-Q122 PolarHBondContact O-NE2 3.48Å; E117-Q122 PolarHBondContact OE2-NE2 3.39Å; R119-Q122 PolarHBondContact NH2-O 2.78Å; R119-Q122 WeakPolarHBondContact O-CA 3.3Å; R119-Q122 WeakPolarHBondContact O-CG 3.42Å; R119-Q122 PolarHBondContact O-N 2.95Å; R119-Q122 VanDerWaalsContact O-N 3.14Å | ||
| 123 | K | 95.3 | Very high | 95.7 | Very high | 79 Ų | 79 | 43.9 Ų | 43.9 | 34% | 0.343 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 132 | -177.9 | -62.3 | -177.7 | -175.1 | 179.6 | 0 | 110.9 | V67 E71 V113 D114 T115 | V67-K123 HydrophobicContact CG1-CB 3.77Å; V67-K123 HydrophobicContact CG1-CD 3.95Å; V67-K123 HydrophobicContact CG2-CB 4.16Å; E71-K123 WeakPolarHBondContact OE1-CD 3.49Å; E71-K123 WeakPolarHBondContact OE1-CE 3.33Å; E71-K123 IonicContact OE1-NZ 3.7Å; E71-K123 PolarHBondContact OE1-NZ 3.43Å; E71-K123 IonicContact OE2-NZ 3.51Å; E71-K123 PolarHBondContact OE2-NZ 2.76Å; V113-K123 HydrophobicContact CG1-CB 3.95Å; V113-K123 HydrophobicContact CG1-CD 4.25Å; V113-K123 HydrophobicContact CG1-CG 4.16Å; D114-K123 CarbonylContact O-C 3.59Å; D114-K123 VanDerWaalsContact O-CA 3.28Å; D114-K123 WeakPolarHBondContact O-CA 3.05Å; T115-K123 HydrophobicContact CG2-CG 4.19Å |
| 124 | L | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 138.9 | 175.3 | -62.9 | 177.2 | 0 | 0 | 0 | 110.1 | P63 V64 D114 P121 F126 L155 I183 V185 | P63-L124 HydrophobicContact CB-CB 4.3Å; P63-L124 HydrophobicContact CB-CD2 4.14Å; P63-L124 CarbonylContact O-C 3.55Å; P63-L124 WeakPolarHBondContact O-CA 3.45Å; V64-L124 HydrophobicContact CG2-CD2 3.62Å; D114-L124 WeakPolarHBondContact CB-O 3.22Å; D114-L124 PolarHBondContact N-O 3.46Å; D114-L124 PolarHBondContact O-N 2.85Å; P121-L124 HydrophobicContact CB-CD2 4.4Å; L124-F126 HydrophobicContact CB-CD1 3.95Å; L124-F126 HydrophobicContact CB-CE1 3.7Å; L124-F126 HydrophobicContact CD1-CE1 4.05Å; L124-F126 PolarHBondContact O-N 3.03Å; L124-L155 HydrophobicContact CD1-CD2 3.99Å; L124-L155 HydrophobicContact CD2-CD2 3.77Å; L124-I183 HydrophobicContact CD1-CD1 3.71Å; L124-V185 HydrophobicContact CD1-CG2 4.11Å |
| 125 | A | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 116.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P63 L66 L70 Y111 | P63-A125 WeakPolarHBondContact O-CB 3.36Å; P63-A125 PolarHBondContact O-N 3.43Å; L66-A125 HydrophobicContact CB-CB 3.72Å; L66-A125 HydrophobicContact CD1-CB 4.25Å; L70-A125 HydrophobicContact CD1-CB 3.54Å; Y111-A125 HydrophobicContact CD1-CB 4.18Å |
| 126 | F | 97.8 | Very high | 95.6 | Very high | 34 Ų | 34 | 39.1 Ų | 39.1 | 15% | 0.149 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126.8 | 178.5 | -87.3 | 44.5 | 0 | 0 | 0 | 110.1 | Y111 R112 D114 L124 V185 P186 | Y111-F126 CarbonylContact C-O 3.57Å; Y111-F126 WeakPolarHBondContact CA-O 3.4Å; R112-F126 PolarHBondContact N-O 3.22Å; R112-F126 PolarHBondContact O-N 2.9Å; D114-F126 HydrophobicContact CB-CB 4.37Å; D114-F126 HydrophobicContact CB-CD1 3.45Å; D114-F126 VanDerWaalsContact CB-CD1 3.45Å; D114-F126 HydrophobicContact CB-CD2 4.2Å; D114-F126 HydrophobicContact CB-CE1 3.67Å; D114-F126 HydrophobicContact CB-CE2 4.37Å; D114-F126 HydrophobicContact CB-CG 3.76Å; D114-F126 HydrophobicContact CB-CZ 4.12Å; L124-F126 HydrophobicContact CB-CD1 3.95Å; L124-F126 HydrophobicContact CB-CE1 3.7Å; L124-F126 HydrophobicContact CD1-CE1 4.05Å; L124-F126 PolarHBondContact O-N 3.03Å; F126-V185 HydrophobicContact CD1-CG1 3.79Å; F126-V185 HydrophobicContact CE1-CB 4.45Å; F126-V185 HydrophobicContact CE1-CG1 3.68Å; F126-V185 HydrophobicContact CE1-CG2 4.23Å; F126-V185 HydrophobicContact CZ-CG1 4.35Å; F126-V185 HydrophobicContact CZ-CG2 4.47Å; F126-P186 HydrophobicContact CB-CG 3.96Å; F126-P186 HydrophobicContact CD2-CG 3.66Å; F126-P186 HydrophobicContact CE2-CG 4.36Å; F126-P186 HydrophobicContact CG-CG 3.9Å |
| 127 | A | 97.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 132.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W109 R110 Y111 P186 G188 | W109-A127 HydrophobicContact CB-CB 4.42Å; W109-A127 HydrophobicContact CG-CB 4.08Å; R110-A127 WeakPolarHBondContact O-CA 3.42Å; Y111-A127 HydrophobicContact CD1-CB 4.28Å; Y111-A127 HydrophobicContact CE1-CB 4.12Å; A127-P186 HydrophobicContact CB-CB 4.31Å; A127-P186 WeakPolarHBondContact CB-O 3.47Å; A127-P186 PolarHBondContact N-O 3.24Å; A127-P186 WeakPolarHBondContact O-CB 3.26Å; A127-G188 VanDerWaalsContact CB-CA 3.47Å; A127-G188 VanDerWaalsContact CB-N 3.33Å |
| 128 | E | 96.8 | Very high | 95.3 | Very high | 39 Ų | 39 | 48 Ų | 48 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 112.9 | 175.4 | -65.2 | -179.8 | 175.3 | 0 | 0 | 109.3 | W109 R110 R112 | W109-E128 CarbonylContact C-O 3.5Å; W109-E128 WeakPolarHBondContact CA-O 3.47Å; W109-E128 WeakPolarHBondContact CB-O 3.37Å; R110-E128 HydrophobicContact CG-CB 3.99Å; R110-E128 IonicContact CZ-OE2 3.75Å; R110-E128 VanDerWaalsContact CZ-OE2 3.22Å; R110-E128 PolarHBondContact N-O 3.15Å; R110-E128 IonicContact NE-OE2 3.22Å; R110-E128 PolarHBondContact NE-OE2 3.28Å; R110-E128 IonicContact NH2-OE2 2.82Å; R110-E128 PolarHBondContact NH2-OE2 3.26Å; R110-E128 PolarHBondContact O-N 2.9Å; R112-E128 VanDerWaalsContact CD-OE1 3.31Å; R112-E128 WeakPolarHBondContact CD-OE1 3.22Å; R112-E128 IonicContact CZ-OE1 3.14Å; R112-E128 IonicContact NE-OE1 2.85Å; R112-E128 PolarHBondContact NE-OE1 2.81Å |
| 129 | C | 97.2 | Very high | 95.2 | Very high | 29 Ų | 29 | 48.5 Ų | 48.5 | 20% | 0.196 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 136.6 | 177.4 | -40.2 | 0 | 0 | 0 | 0 | 110.1 | P108 C189 | P108-C129 WeakPolarHBondContact O-CA 3.48Å; C129-C189 WeakPolarHBondContact CA-SG 3.39Å; C129-C189 HydrophobicContact CB-CB 3.92Å; C129-C189 WeakPolarHBondContact CB-SG 3.41Å; C129-C189 PolarHBondContact N-SG 2.91Å; C129-C189 VanDerWaalsContact N-SG 3.35Å; C129-C189 WeakPolarHBondContact SG-CB 3.43Å; C129-C189 CovalentContact SG-SG 2.03Å; C129-C189 PolarHBondContact SG-SG 3.23Å |
| 130 | L | 96.1 | Very high | 95.2 | Very high | 54 Ų | 54 | 48.2 Ų | 48.2 | 28% | 0.283 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -86.1 | -21.4 | -179.3 | -57.4 | -178.7 | 0 | 0 | 0 | 112.9 | P89 P108 R110 | P89-L130 HydrophobicContact CG-CD1 4.14Å; P108-L130 HydrophobicContact CB-CD1 4.29Å; P108-L130 HydrophobicContact CG-CB 4.37Å; P108-L130 PolarHBondContact O-N 2.93Å; R110-L130 HydrophobicContact CB-CD2 4.05Å; R110-L130 HydrophobicContact CG-CD2 3.79Å; R110-L130 VanDerWaalsContact NH1-CD2 3.27Å |
| 131 | C | 95.9 | Very high | 95.3 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | trans | -116.4 | 156.1 | -176.9 | -49.9 | 0 | 0 | 0 | 0 | 109.9 | C88 G133 E142 S148 | C88-C131 HydrophobicContact CB-CB 3.75Å; C88-C131 WeakPolarHBondContact CB-SG 3.22Å; C88-C131 WeakPolarHBondContact SG-CB 3.44Å; C88-C131 CovalentContact SG-SG 2.03Å; C88-C131 PolarHBondContact SG-SG 2.91Å; C131-G133 WeakPolarHBondContact CB-O 3.5Å; C131-E142 HydrophobicContact CB-CG 4.37Å; C131-E142 WeakPolarHBondContact CB-OE1 3.45Å; C131-S148 WeakPolarHBondContact O-CB 3.47Å | ||
| 132 | R | 95.8 | Very high | 95.4 | Very high | 218 Ų | 218 | 56.4 Ų | 56.4 | 82% | 0.823 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -88.1 | -47.4 | 167.5 | -65.6 | -178.9 | 179.7 | -178 | 0.3 | 109.7 | E142 N147 S148 | R132-E142 PolarHBondContact N-OE1 2.98Å; R132-N147 WeakPolarHBondContact O-CA 3.49Å; R132-S148 PolarHBondContact O-N 3.05Å |
| 133 | G | 95.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -81.4 | -159.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | C131 E142 T143 L146 S148 | C131-G133 WeakPolarHBondContact CB-O 3.5Å; G133-E142 PolarHBondContact N-OE1 2.95Å; G133-T143 WeakPolarHBondContact CA-O 3.49Å; G133-L146 WeakPolarHBondContact CA-O 3.36Å; G133-S148 VanDerWaalsContact O-CB 3.25Å; G133-S148 WeakPolarHBondContact O-CB 3.36Å; G133-S148 PolarHBondContact O-N 3.13Å; G133-S148 PolarHBondContact O-OG 2.74Å |
| 134 | C | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 164.8 | 169 | -51.7 | 0 | 0 | 0 | 0 | 110.3 | I106 E142 T143 L146 N147 C191 | I106-C134 CarbonylContact O-C 3.45Å; I106-C134 WeakPolarHBondContact O-CA 3.11Å; I106-C134 WeakPolarHBondContact O-CB 3.02Å; C134-E142 CarbonylContact O-C 3.59Å; C134-E142 WeakPolarHBondContact O-CA 3.48Å; C134-T143 PolarHBondContact N-O 2.03Å; C134-T143 VanDerWaalsContact O-CG2 3.32Å; C134-T143 WeakPolarHBondContact O-CG2 3.43Å; C134-T143 PolarHBondContact O-N 3.32Å; C134-L146 HydrophobicContact CB-CB 3.94Å; C134-L146 HydrophobicContact CB-CD1 4.24Å; C134-L146 WeakPolarHBondContact SG-CB 3.5Å; C134-N147 VanDerWaalsContact SG-C 3.54Å; C134-C191 HydrophobicContact CB-CB 4.01Å; C134-C191 WeakPolarHBondContact CB-SG 3.37Å; C134-C191 WeakPolarHBondContact SG-CA 3.42Å; C134-C191 WeakPolarHBondContact SG-CB 3.31Å; C134-C191 CovalentContact SG-SG 2.03Å; C134-C191 PolarHBondContact SG-SG 3.19Å |
| 135 | I | 96.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 123.6 | 179.1 | -61 | -177.3 | 0 | 0 | 0 | 109.3 | P89 L91 I106 P108 G140 R141 | P89-I135 HydrophobicContact CG-CD1 4.34Å; P89-I135 VanDerWaalsContact O-CD1 3.27Å; P89-I135 WeakPolarHBondContact O-CD1 3.49Å; L91-I135 HydrophobicContact CB-CG2 4.31Å; L91-I135 HydrophobicContact CD1-CD1 3.77Å; L91-I135 HydrophobicContact CD1-CG2 4.33Å; L91-I135 HydrophobicContact CG-CD1 3.67Å; L91-I135 HydrophobicContact CG-CG2 4.36Å; I106-I135 PolarHBondContact O-N 3.05Å; P108-I135 HydrophobicContact CG-CD1 3.8Å; I135-G140 WeakPolarHBondContact CG2-O 3.37Å; I135-R141 CarbonylContact C-O 3.52Å; I135-R141 WeakPolarHBondContact CA-O 3.33Å |
| 136 | D | 94.8 | Very high | 95.3 | Very high | 32 Ų | 32 | 63 Ų | 63 | 17% | 0.171 | 32% | 0.324 | C | S | . | . | trans | -72.3 | 122.2 | 174 | -178 | -53.5 | 0 | 0 | 0 | 109 | R138 T139 G140 R141 T143 | D136-R138 PolarHBondContact O-N 2.71Å; D136-R138 VanDerWaalsContact O-N 3.12Å; D136-R138 WeakPolarHBondContact OD1-CA 3.46Å; D136-R138 VanDerWaalsContact OD1-CB 3.29Å; D136-R138 WeakPolarHBondContact OD1-CB 3.36Å; D136-R138 IonicContact OD1-CZ 3.8Å; D136-R138 PolarHBondContact OD1-N 3.47Å; D136-R138 IonicContact OD1-NE 3.71Å; D136-R138 PolarHBondContact OD1-NE 3.25Å; D136-R138 IonicContact OD1-NH2 2.97Å; D136-R138 IonicContact OD2-CZ 3.51Å; D136-R138 IonicContact OD2-NE 3.47Å; D136-R138 IonicContact OD2-NH2 2.9Å; D136-R138 PolarHBondContact OD2-NH2 3.09Å; D136-T139 PolarHBondContact O-N 3.15Å; D136-T139 VanDerWaalsContact O-N 3.16Å; D136-G140 PolarHBondContact O-N 2.73Å; D136-R141 PolarHBondContact N-O 2.88Å; D136-T143 HydrophobicContact CB-CG2 4.17Å | ||
| 137 | P | 90.5 | Very high | 95.3 | Very high | 97 Ų | 97 | 64.2 Ų | 64.2 | 63% | 0.63 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.3 | -174.1 | 27.6 | -36.1 | 0 | 0 | 0 | 114.5 | ||
| 138 | R | 91.3 | Very high | 95.3 | Very high | 212 Ų | 212 | 64.9 Ų | 64.9 | 80% | 0.8 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -32.2 | 174.7 | -65.6 | 166.6 | -73 | -125.6 | -3.1 | 113 | D136 | D136-R138 PolarHBondContact O-N 2.71Å; D136-R138 VanDerWaalsContact O-N 3.12Å; D136-R138 WeakPolarHBondContact OD1-CA 3.46Å; D136-R138 VanDerWaalsContact OD1-CB 3.29Å; D136-R138 WeakPolarHBondContact OD1-CB 3.36Å; D136-R138 IonicContact OD1-CZ 3.8Å; D136-R138 PolarHBondContact OD1-N 3.47Å; D136-R138 IonicContact OD1-NE 3.71Å; D136-R138 PolarHBondContact OD1-NE 3.25Å; D136-R138 IonicContact OD1-NH2 2.97Å; D136-R138 IonicContact OD2-CZ 3.51Å; D136-R138 IonicContact OD2-NE 3.47Å; D136-R138 IonicContact OD2-NH2 2.9Å; D136-R138 PolarHBondContact OD2-NH2 3.09Å |
| 139 | T | 93 | Very high | 95.4 | Very high | 86 Ų | 86 | 65.8 Ų | 65.8 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -20.4 | -176.1 | 71.9 | 0 | 0 | 0 | 0 | 113.1 | D136 R141 | D136-T139 PolarHBondContact O-N 3.15Å; D136-T139 VanDerWaalsContact O-N 3.16Å; T139-R141 PolarHBondContact O-N 3.24Å; T139-R141 PolarHBondContact OG1-N 3.36Å; T139-R141 VanDerWaalsContact OG1-N 3.15Å |
| 140 | G | 93.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 71.8 Ų | 71.8 | 7% | 0.072 | 36% | 0.363 | C | S | . | . | trans | 72.3 | 3.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V90 L91 I135 D136 | V90-G140 CarbonylContact C-O 3.59Å; V90-G140 VanDerWaalsContact CA-O 3.22Å; V90-G140 WeakPolarHBondContact CA-O 3.46Å; V90-G140 WeakPolarHBondContact CG1-O 3.34Å; L91-G140 PolarHBondContact N-O 3.05Å; L91-G140 WeakPolarHBondContact O-CA 3.44Å; I135-G140 WeakPolarHBondContact CG2-O 3.37Å; D136-G140 PolarHBondContact O-N 2.73Å | ||
| 141 | R | 94.8 | Very high | 95.5 | Very high | 159 Ų | 159 | 73.1 Ų | 73.1 | 60% | 0.6 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -111.5 | 156.5 | -173 | -57.3 | 180 | 72.6 | 94 | 2.4 | 112.5 | V90 I135 D136 T139 | V90-R141 HydrophobicContact CG1-CG 4.44Å; V90-R141 HydrophobicContact CG2-CG 4.46Å; I135-R141 CarbonylContact C-O 3.52Å; I135-R141 WeakPolarHBondContact CA-O 3.33Å; D136-R141 PolarHBondContact N-O 2.88Å; T139-R141 PolarHBondContact O-N 3.24Å; T139-R141 PolarHBondContact OG1-N 3.36Å; T139-R141 VanDerWaalsContact OG1-N 3.15Å |
| 142 | E | 96.3 | Very high | 95.5 | Very high | 84 Ų | 84 | 77.2 Ų | 77.2 | 39% | 0.393 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 133.6 | 173.1 | -163.3 | 173.9 | -164 | 0 | 0 | 111.9 | C88 C131 R132 G133 C134 | C88-E142 HydrophobicContact CB-CB 4.08Å; C88-E142 HydrophobicContact CB-CG 4.24Å; C88-E142 WeakPolarHBondContact CB-OE2 3.49Å; C131-E142 HydrophobicContact CB-CG 4.37Å; C131-E142 WeakPolarHBondContact CB-OE1 3.45Å; R132-E142 PolarHBondContact N-OE1 2.98Å; G133-E142 PolarHBondContact N-OE1 2.95Å; C134-E142 CarbonylContact O-C 3.59Å; C134-E142 WeakPolarHBondContact O-CA 3.48Å |
| 143 | T | 95.5 | Very high | 95.5 | Very high | 43 Ų | 43 | 70.6 Ų | 70.6 | 26% | 0.264 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.7 | 169.6 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | G133 C134 D136 A145 | G133-T143 WeakPolarHBondContact CA-O 3.49Å; C134-T143 PolarHBondContact N-O 2.03Å; C134-T143 VanDerWaalsContact O-CG2 3.32Å; C134-T143 WeakPolarHBondContact O-CG2 3.43Å; C134-T143 PolarHBondContact O-N 3.32Å; D136-T143 HydrophobicContact CB-CG2 4.17Å; T143-A145 VanDerWaalsContact C-N 3.26Å; T143-A145 PolarHBondContact O-N 2.88Å; T143-A145 PolarHBondContact OG1-N 3.15Å |
| 144 | A | 93.7 | Very high | 95.4 | Very high | 94 Ų | 94 | 74.1 Ų | 74.1 | 78% | 0.777 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -0.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L146 | A144-L146 PolarHBondContact O-N 2.84Š|
| 145 | A | 94.9 | Very high | 95.2 | Very high | 66 Ų | 66 | 74.7 Ų | 74.7 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -11.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T143 P194 | T143-A145 VanDerWaalsContact C-N 3.26Å; T143-A145 PolarHBondContact O-N 2.88Å; T143-A145 PolarHBondContact OG1-N 3.15Å; A145-P194 WeakPolarHBondContact O-CD 3.05Å; A145-P194 WeakPolarHBondContact O-CG 3.42Å |
| 146 | L | 96.6 | Very high | 95 | Very high | 50 Ų | 50 | 76.8 Ų | 76.8 | 26% | 0.262 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -138.2 | 164.2 | -177.9 | -60 | 170.8 | 0 | 0 | 0 | 108.7 | G133 C134 A144 C191 V192 L193 | G133-L146 WeakPolarHBondContact CA-O 3.36Å; C134-L146 HydrophobicContact CB-CB 3.94Å; C134-L146 HydrophobicContact CB-CD1 4.24Å; C134-L146 WeakPolarHBondContact SG-CB 3.5Å; A144-L146 PolarHBondContact O-N 2.84Å; L146-C191 VanDerWaalsContact CB-SG 3.58Å; L146-C191 VanDerWaalsContact CD1-SG 3.6Å; L146-V192 WeakPolarHBondContact CA-O 3.49Å; L146-L193 HydrophobicContact CD2-CD2 3.78Å |
| 147 | N | 97.4 | Very high | 94.9 | Very high | 61 Ų | 61 | 75.2 Ų | 75.2 | 33% | 0.326 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 136.2 | 176 | -70.6 | -60.4 | 0 | 0 | 0 | 112 | R132 C134 V149 V192 P194 | R132-N147 WeakPolarHBondContact O-CA 3.49Å; C134-N147 VanDerWaalsContact SG-C 3.54Å; N147-V149 HydrophobicContact CB-CG1 4.36Å; N147-V192 HydrophobicContact CB-CG2 4.2Å; N147-V192 PolarHBondContact N-O 3.22Å; N147-V192 PolarHBondContact O-N 2.82Å; N147-P194 WeakPolarHBondContact ND2-CA 3.35Å; N147-P194 WeakPolarHBondContact ND2-CB 3.39Å |
| 148 | S | 97.9 | Very high | 95 | Very high | 15 Ų | 15 | 70.8 Ų | 70.8 | 11% | 0.105 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 121.2 | 163.5 | -77.5 | 0 | 0 | 0 | 0 | 109.8 | S107 C131 R132 G133 T190 | S107-S148 WeakPolarHBondContact CA-OG 3.4Å; S107-S148 WeakPolarHBondContact CB-OG 3.23Å; C131-S148 WeakPolarHBondContact O-CB 3.47Å; R132-S148 PolarHBondContact O-N 3.05Å; G133-S148 VanDerWaalsContact O-CB 3.25Å; G133-S148 WeakPolarHBondContact O-CB 3.36Å; G133-S148 PolarHBondContact O-N 3.13Å; G133-S148 PolarHBondContact O-OG 2.74Å; S148-T190 WeakPolarHBondContact CA-O 3.26Å |
| 149 | V | 97.8 | Very high | 95.1 | Very high | 58 Ų | 58 | 63.4 Ų | 63.4 | 35% | 0.352 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 145.7 | 177.6 | -61.7 | 0 | 0 | 0 | 0 | 111.1 | N147 L151 C189 T190 V192 | N147-V149 HydrophobicContact CB-CG1 4.36Å; V149-L151 PolarHBondContact O-N 3.47Å; V149-C189 CarbonylContact O-C 3.53Å; V149-C189 VanDerWaalsContact O-CA 3.26Å; V149-C189 WeakPolarHBondContact O-CA 3.42Å; V149-T190 HydrophobicContact CG2-CG2 3.66Å; V149-T190 PolarHBondContact N-O 3.26Å; V149-T190 PolarHBondContact O-N 3.18Å; V149-V192 HydrophobicContact CB-CG2 4.45Å; V149-V192 HydrophobicContact CG1-CG2 3.76Å; V149-V192 HydrophobicContact CG2-CB 4.44Å; V149-V192 HydrophobicContact CG2-CG1 3.76Å; V149-V192 HydrophobicContact CG2-CG2 3.79Å |
| 150 | R | 98.1 | Very high | 95.1 | Very high | 154 Ų | 154 | 61.9 Ų | 61.9 | 58% | 0.581 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 127.5 | 178.9 | -64.3 | -179.6 | -179 | 101.9 | -2.6 | 110.4 | L152 P186 | R150-L152 HydrophobicContact CB-CD2 4.1Å; R150-P186 HydrophobicContact CB-CB 4.17Å; R150-P186 HydrophobicContact CG-CB 4.36Å |
| 151 | L | 97.7 | Very high | 95.1 | Very high | 82 Ų | 82 | 67.2 Ų | 67.2 | 43% | 0.429 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.2 | 165.3 | -72.9 | 175.8 | 0 | 0 | 0 | 108.8 | V149 P186 V187 G188 T190 | V149-L151 PolarHBondContact O-N 3.47Å; L151-P186 CarbonylContact O-C 3.56Å; L151-P186 VanDerWaalsContact O-CA 3.31Å; L151-P186 WeakPolarHBondContact O-CA 3.34Å; L151-V187 HydrophobicContact CB-CG2 4.15Å; L151-V187 WeakPolarHBondContact O-CG2 3.32Å; L151-V187 PolarHBondContact O-N 3.1Å; L151-G188 PolarHBondContact N-O 3.47Å; L151-T190 HydrophobicContact CD1-CG2 4.48Å; L151-T190 HydrophobicContact CD2-CG2 3.52Å; L151-T190 HydrophobicContact CG-CG2 3.82Å |
| 152 | L | 97.2 | Very high | 94.9 | Very high | 95 Ų | 95 | 64.6 Ų | 64.6 | 50% | 0.497 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 129.1 | -176.1 | -57.3 | -179.2 | 0 | 0 | 0 | 110.9 | R150 R184 V185 P186 | R150-L152 HydrophobicContact CB-CD2 4.1Å; L152-R184 HydrophobicContact CB-CB 4.45Å; L152-R184 HydrophobicContact CD1-CB 4.29Å; L152-V185 WeakPolarHBondContact CA-O 3.33Å; L152-P186 HydrophobicContact CD2-CB 3.94Å |
| 153 | Q | 94.8 | Very high | 94.7 | Very high | 80 Ų | 80 | 61.3 Ų | 61.3 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 138.8 | 169.4 | -175.9 | 173.4 | -4.7 | 0 | 0 | 109.9 | V185 V187 | Q153-V185 PolarHBondContact N-O 2.86Å; Q153-V185 PolarHBondContact O-N 2.89Å; Q153-V187 HydrophobicContact CB-CG1 3.67Å; Q153-V187 HydrophobicContact CB-CG2 4.24Å |
| 154 | S | 94.1 | Very high | 94.4 | Very high | 77 Ų | 77 | 60.7 Ų | 60.7 | 54% | 0.538 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 122.6 | 168.4 | -169.4 | 0 | 0 | 0 | 0 | 109.4 | F182 I183 | S154-F182 WeakPolarHBondContact OG-CD1 3.37Å; S154-I183 WeakPolarHBondContact CA-O 3.26Å |
| 155 | L | 92.7 | Very high | 93.9 | Very high | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.063 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 124.2 | 179.1 | -175.2 | 65.5 | 0 | 0 | 0 | 109.6 | A61 P63 L124 V157 F182 I183 V185 | A61-L155 HydrophobicContact CB-CD1 3.77Å; P63-L155 HydrophobicContact CB-CD2 4.45Å; L124-L155 HydrophobicContact CD1-CD2 3.99Å; L124-L155 HydrophobicContact CD2-CD2 3.77Å; L155-V157 HydrophobicContact CD2-CG1 4.27Å; L155-V157 HydrophobicContact CG-CG1 4.25Å; L155-F182 WeakPolarHBondContact O-CA 3.46Å; L155-I183 HydrophobicContact CB-CG1 4.3Å; L155-I183 PolarHBondContact N-O 3.37Å; L155-I183 WeakPolarHBondContact O-CG1 3.45Å; L155-I183 PolarHBondContact O-N 3.11Å; L155-V185 HydrophobicContact CB-CG2 3.94Å; L155-V185 HydrophobicContact CD2-CG2 4Å |
| 156 | L | 92.4 | Very high | 93.2 | Very high | 48 Ų | 48 | 64.3 Ų | 64.3 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 133.1 | 168.9 | -176.1 | 60.3 | 0 | 0 | 0 | 109 | A56 W58 T180 E181 F182 | A56-L156 HydrophobicContact CB-CD2 4.17Å; W58-L156 PolarHBondContact NE1-O 2.78Å; L156-T180 HydrophobicContact CD1-CG2 4.22Å; L156-E181 CarbonylContact C-O 3.55Å; L156-F182 HydrophobicContact CB-CD1 4.04Å; L156-F182 HydrophobicContact CB-CE1 3.72Å; L156-F182 HydrophobicContact CB-CZ 4.24Å; L156-F182 HydrophobicContact CD1-CD1 4.36Å; L156-F182 HydrophobicContact CD1-CD2 4.19Å; L156-F182 HydrophobicContact CD1-CE1 4.16Å; L156-F182 HydrophobicContact CD1-CE2 3.98Å; L156-F182 HydrophobicContact CD1-CG 4.39Å; L156-F182 HydrophobicContact CD1-CZ 3.97Å; L156-F182 HydrophobicContact CG-CE1 4.44Å; L156-F182 HydrophobicContact CG-CZ 4.5Å |
| 157 | V | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 160.7 | 173.9 | -64.1 | 0 | 0 | 0 | 0 | 110.1 | R119 Y120 L155 T180 E181 I183 | R119-V157 HydrophobicContact CG-CB 3.86Å; R119-V157 HydrophobicContact CG-CG1 4.13Å; R119-V157 HydrophobicContact CG-CG2 4Å; Y120-V157 WeakPolarHBondContact O-CA 3.41Å; Y120-V157 WeakPolarHBondContact O-CB 3.47Å; L155-V157 HydrophobicContact CD2-CG1 4.27Å; L155-V157 HydrophobicContact CG-CG1 4.25Å; V157-T180 WeakPolarHBondContact O-CA 3.4Å; V157-E181 HydrophobicContact CG2-CB 4.27Å; V157-E181 WeakPolarHBondContact CG2-O 3.32Å; V157-E181 PolarHBondContact N-O 2.65Å; V157-E181 PolarHBondContact O-N 3.32Å; V157-I183 HydrophobicContact CG1-CD1 3.81Å; V157-I183 HydrophobicContact CG1-CG1 3.95Å; V157-I183 HydrophobicContact CG2-CD1 4.25Å; V157-I183 HydrophobicContact CG2-CG1 4.08Å; V157-I183 HydrophobicContact CG2-CG2 3.9Å |
| 158 | L | 93 | Very high | 91.1 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.9 | 168.7 | -49.5 | 173.5 | 0 | 0 | 0 | 108.8 | A47 L51 W58 R119 Y120 F178 H179 T180 | A47-L158 HydrophobicContact CB-CD1 3.86Å; L51-L158 HydrophobicContact CB-CD1 3.83Å; L51-L158 HydrophobicContact CD1-CD1 4.02Å; L51-L158 HydrophobicContact CD1-CD2 4.45Å; W58-L158 HydrophobicContact CH2-CD1 4.26Å; W58-L158 HydrophobicContact CH2-CG 4.4Å; W58-L158 HydrophobicContact CZ2-CD1 4.38Å; W58-L158 HydrophobicContact CZ2-CD2 4.32Å; W58-L158 HydrophobicContact CZ2-CG 4.04Å; R119-L158 CarbonylContact C-O 3.56Å; R119-L158 WeakPolarHBondContact CA-O 3.17Å; Y120-L158 HydrophobicContact CD1-CD1 4.31Å; Y120-L158 PolarHBondContact N-O 3.14Å; Y120-L158 PolarHBondContact O-N 2.8Å; L158-F178 HydrophobicContact CB-CB 4.4Å; L158-F178 HydrophobicContact CB-CD1 3.72Å; L158-F178 HydrophobicContact CB-CE1 4.47Å; L158-F178 HydrophobicContact CB-CG 4.42Å; L158-H179 CarbonylContact C-O 3.58Å; L158-H179 WeakPolarHBondContact CA-O 3.17Å; L158-T180 HydrophobicContact CD2-CG2 3.85Å |
| 159 | R | 93.6 | Very high | 90.1 | Very high | 56 Ų | 56 | 68.3 Ų | 68.3 | 21% | 0.211 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 124.1 | 173.6 | -80.6 | -98.5 | -168.1 | -128.8 | -9.1 | 110.2 | D116 D118 F178 H179 E181 | D116-R159 IonicContact OD1-NH1 3.45Å; D116-R159 IonicContact OD2-CZ 3.66Å; D116-R159 IonicContact OD2-NH1 3.79Å; D116-R159 PolarHBondContact OD2-NH1 2.93Å; D118-R159 CarbonylContact O-C 3.56Å; D118-R159 WeakPolarHBondContact O-CA 3.43Å; R159-F178 CarbonylContact O-C 3.49Å; R159-F178 WeakPolarHBondContact O-CA 3.05Å; R159-H179 PolarHBondContact N-O 3.24Å; R159-H179 PolarHBondContact O-N 3.3Å; R159-E181 HydrophobicContact CG-CB 3.94Å; R159-E181 HydrophobicContact CG-CG 4.49Å; R159-E181 WeakPolarHBondContact CG-OE2 3.35Å; R159-E181 IonicContact CZ-OE1 2.73Å; R159-E181 VanDerWaalsContact CZ-OE1 3.31Å; R159-E181 VanDerWaalsContact NE-CD 3.27Å; R159-E181 IonicContact NE-OE1 3.11Å; R159-E181 PolarHBondContact NE-OE1 3.06Å; R159-E181 IonicContact NE-OE2 2.85Å; R159-E181 PolarHBondContact NE-OE2 3Å; R159-E181 VanDerWaalsContact NE-OE2 3.14Å; R159-E181 IonicContact NH2-OE1 3.28Å; R159-E181 PolarHBondContact NH2-OE1 3.04Å |
| 160 | R | 92.9 | Very high | 89.4 | Confident | 55 Ų | 55 | 71.6 Ų | 71.6 | 21% | 0.208 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 130.9 | 168.9 | -168.1 | 170.5 | 65.6 | 177.6 | -3.1 | 109 | L44 E117 D118 F176 A177 F178 | L44-R160 VanDerWaalsContact CD1-NH1 3.28Å; L44-R160 VanDerWaalsContact CD1-NH2 3.31Å; E117-R160 PolarHBondContact O-NH2 2.83Å; D118-R160 HydrophobicContact CB-CB 4.19Å; D118-R160 PolarHBondContact O-N 3.26Å; D118-R160 IonicContact OD1-CZ 3.32Å; D118-R160 IonicContact OD1-NE 2.89Å; D118-R160 PolarHBondContact OD1-NE 3.07Å; D118-R160 IonicContact OD1-NH2 2.65Å; D118-R160 PolarHBondContact OD1-NH2 2.73Å; R160-F176 VanDerWaalsContact CD-CD2 3.43Å; R160-F176 HydrophobicContact CG-CB 3.56Å; R160-F176 HydrophobicContact CG-CD1 4.46Å; R160-F176 HydrophobicContact CG-CD2 3.47Å; R160-F176 VanDerWaalsContact CG-CD2 3.47Å; R160-F176 HydrophobicContact CG-CE2 4.26Å; R160-F176 HydrophobicContact CG-CG 3.58Å; R160-A177 WeakPolarHBondContact CA-O 3.41Å; R160-F178 HydrophobicContact CB-CD1 4.42Å; R160-F178 HydrophobicContact CB-CE1 4.1Å |
| 161 | R | 92.1 | Very high | 88.9 | Confident | 119 Ų | 119 | 67.7 Ų | 67.7 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 145.9 | 177.6 | -61 | -172.3 | -177.9 | -168.8 | 0.8 | 110.1 | F176 A177 E181 | R161-F176 CarbonylContact O-C 3.53Å; R161-F176 WeakPolarHBondContact O-CA 3.43Å; R161-F176 WeakPolarHBondContact O-CB 3.46Å; R161-A177 PolarHBondContact N-O 3.28Å; R161-A177 PolarHBondContact O-N 3.03Å; R161-E181 IonicContact NH2-OE2 4Å; R161-E181 PolarHBondContact NH2-OE2 3.07Å |
| 162 | P | 91.9 | Very high | 88.4 | Confident | 103 Ų | 103 | 65.8 Ų | 65.8 | 67% | 0.669 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 146.1 | 174.6 | -24.2 | 34.2 | 0 | 0 | 0 | 112 | P171 A175 | P162-P171 HydrophobicContact CB-CB 3.95Å; P162-P171 HydrophobicContact CB-CG 4.46Å; P162-A175 WeakPolarHBondContact CA-O 3.44Å |
| 163 | C | 91 | Very high | 88.1 | Confident | 16 Ų | 16 | 67.3 Ų | 67.3 | 11% | 0.108 | 40% | 0.396 | C | S | . | . | trans | -145.3 | 161.2 | -178.9 | 72.3 | 0 | 0 | 0 | 0 | 113.2 | C36 T172 A175 F176 A177 | C36-C163 WeakPolarHBondContact CA-SG 3.02Å; C36-C163 HydrophobicContact CB-CB 4.49Å; C36-C163 WeakPolarHBondContact CB-SG 3.18Å; C36-C163 WeakPolarHBondContact SG-CB 3.46Å; C36-C163 CovalentContact SG-SG 2.03Å; C36-C163 PolarHBondContact SG-SG 2.88Å; C163-T172 PolarHBondContact O-N 3.3Å; C163-A175 PolarHBondContact N-O 2.9Å; C163-A175 VanDerWaalsContact N-O 3.15Å; C163-F176 VanDerWaalsContact SG-CA 3.57Å; C163-A177 HydrophobicContact CB-CB 3.88Å | ||
| 164 | S | 88.8 | Confident | 87.7 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 21% | 0.21 | 41% | 0.407 | C | S | . | . | trans | -92.3 | 120.3 | 175.8 | 166.9 | 0 | 0 | 0 | 0 | 109.5 | C36 D166 G167 S168 G169 L170 | C36-S164 PolarHBondContact SG-O 3.41Å; C36-S164 VanDerWaalsContact SG-O 3.32Å; S164-D166 PolarHBondContact OG-OD1 3.09Å; S164-G167 WeakPolarHBondContact OG-CA 3.47Å; S164-G167 PolarHBondContact OG-N 3.24Å; S164-S168 PolarHBondContact OG-N 3.31Å; S164-S168 VanDerWaalsContact OG-N 3.15Å; S164-S168 PolarHBondContact OG-OG 3.07Å; S164-G169 PolarHBondContact OG-N 3.29Å; S164-L170 WeakPolarHBondContact CA-O 3.43Å; S164-L170 WeakPolarHBondContact CB-O 3.45Å | ||
| 165 | R | 83 | Confident | 87.6 | Confident | 122 Ų | 122 | 62.9 Ų | 62.9 | 46% | 0.46 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -77.9 | -27.6 | 175.2 | -94.8 | -176.5 | 164.9 | 163.7 | -3 | 113.1 | C36 S38 E41 T172 A175 | C36-R165 HydrophobicContact CB-CG 3.62Å; S38-R165 VanDerWaalsContact CB-NH2 3.26Å; S38-R165 PolarHBondContact OG-NH2 3.28Å; E41-R165 IonicContact OE2-CZ 3.74Å; E41-R165 IonicContact OE2-NH2 2.73Å; E41-R165 PolarHBondContact OE2-NH2 3.28Å; R165-T172 PolarHBondContact N-OG1 3.31Å; R165-A175 HydrophobicContact CG-CB 4.24Å |
| 166 | D | 81.6 | Confident | 87.6 | Confident | 114 Ų | 114 | 63 Ų | 63 | 61% | 0.61 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -96.9 | -4.3 | -173.4 | 61.7 | -16 | 0 | 0 | 0 | 113.8 | S164 S168 | S164-D166 PolarHBondContact OG-OD1 3.09Å; D166-S168 VanDerWaalsContact CG-OG 3.23Å; D166-S168 PolarHBondContact O-N 3.46Å; D166-S168 WeakPolarHBondContact OD1-CB 2.97Å; D166-S168 PolarHBondContact OD1-N 2.92Å; D166-S168 PolarHBondContact OD1-OG 2.92Å; D166-S168 VanDerWaalsContact OD2-CB 3.32Å; D166-S168 WeakPolarHBondContact OD2-CB 3.4Å; D166-S168 PolarHBondContact OD2-OG 3.13Å; D166-S168 VanDerWaalsContact OD2-OG 3.09Å |
| 167 | G | 72.8 | Confident | 87.6 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 73% | 0.732 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 74.8 | 5.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S164 G169 | S164-G167 WeakPolarHBondContact OG-CA 3.47Å; S164-G167 PolarHBondContact OG-N 3.24Å; G167-G169 PolarHBondContact O-N 2.99Å; G167-G169 VanDerWaalsContact O-N 3.16Å |
| 168 | S | 77.7 | Confident | 87.5 | Confident | 71 Ų | 71 | 61.8 Ų | 61.8 | 50% | 0.497 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -64.6 | -14.5 | 177.3 | 64.4 | 0 | 0 | 0 | 0 | 114 | S164 D166 L170 | S164-S168 PolarHBondContact OG-N 3.31Å; S164-S168 VanDerWaalsContact OG-N 3.15Å; S164-S168 PolarHBondContact OG-OG 3.07Å; D166-S168 VanDerWaalsContact CG-OG 3.23Å; D166-S168 PolarHBondContact O-N 3.46Å; D166-S168 WeakPolarHBondContact OD1-CB 2.97Å; D166-S168 PolarHBondContact OD1-N 2.92Å; D166-S168 PolarHBondContact OD1-OG 2.92Å; D166-S168 VanDerWaalsContact OD2-CB 3.32Å; D166-S168 WeakPolarHBondContact OD2-CB 3.4Å; D166-S168 PolarHBondContact OD2-OG 3.13Å; D166-S168 VanDerWaalsContact OD2-OG 3.09Å; S168-L170 PolarHBondContact O-N 3.19Å; S168-L170 PolarHBondContact OG-N 2.98Å |
| 169 | G | 75.9 | Confident | 87.4 | Confident | 67 Ų | 67 | 64.9 Ų | 64.9 | 69% | 0.691 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 81.8 | -12.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S164 G167 | S164-G169 PolarHBondContact OG-N 3.29Å; G167-G169 PolarHBondContact O-N 2.99Å; G167-G169 VanDerWaalsContact O-N 3.16Å |
| 170 | L | 83.6 | Confident | 87.2 | Confident | 127 Ų | 127 | 67.1 Ų | 67.1 | 67% | 0.665 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -85.8 | 131.1 | 174.1 | -169.4 | 69 | 0 | 0 | 0 | 110.1 | S164 S168 T172 | S164-L170 WeakPolarHBondContact CA-O 3.43Å; S164-L170 WeakPolarHBondContact CB-O 3.45Å; S168-L170 PolarHBondContact O-N 3.19Å; S168-L170 PolarHBondContact OG-N 2.98Å; L170-T172 PolarHBondContact O-N 2.72Å |
| 171 | P | 86.3 | Confident | 87.2 | Confident | 72 Ų | 72 | 67 Ų | 67 | 47% | 0.468 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 125.4 | 177.2 | -24.2 | 34.5 | 0 | 0 | 0 | 111.7 | P162 | P162-P171 HydrophobicContact CB-CB 3.95Å; P162-P171 HydrophobicContact CB-CG 4.46Å |
| 172 | T | 89.1 | Confident | 87.2 | Confident | 43 Ų | 43 | 68.1 Ų | 68.1 | 26% | 0.264 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 129 | 173.8 | -50.6 | 0 | 0 | 0 | 0 | 108.4 | C163 R165 L170 G174 A175 | C163-T172 PolarHBondContact O-N 3.3Å; R165-T172 PolarHBondContact N-OG1 3.31Å; L170-T172 PolarHBondContact O-N 2.72Å; T172-G174 PolarHBondContact O-N 3.01Å; T172-A175 HydrophobicContact CG2-CB 4.31Å; T172-A175 WeakPolarHBondContact O-CB 3.31Å; T172-A175 PolarHBondContact O-N 3.14Å |
| 173 | P | 89.2 | Confident | 87.4 | Confident | 126 Ų | 126 | 64.2 Ų | 64.2 | 82% | 0.818 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 130.3 | -179 | -28.6 | 35.9 | 0 | 0 | 0 | 112.6 | A175 | P173-A175 PolarHBondContact O-N 3.42Š|
| 174 | G | 87.4 | Confident | 87.7 | Confident | 60 Ų | 60 | 72.9 Ų | 72.9 | 62% | 0.619 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | -4.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | T172 | T172-G174 PolarHBondContact O-N 3.01Š|
| 175 | A | 91.3 | Very high | 88.1 | Confident | 4 Ų | 4 | 71.4 Ų | 71.4 | 3% | 0.033 | 41% | 0.414 | C | S | . | . | trans | -89.1 | 138.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y37 P162 C163 R165 T172 P173 | Y37-A175 CarbonylContact O-C 3.57Å; Y37-A175 VanDerWaalsContact O-CA 3.26Å; Y37-A175 WeakPolarHBondContact O-CA 3.28Å; P162-A175 WeakPolarHBondContact CA-O 3.44Å; C163-A175 PolarHBondContact N-O 2.9Å; C163-A175 VanDerWaalsContact N-O 3.15Å; R165-A175 HydrophobicContact CG-CB 4.24Å; T172-A175 HydrophobicContact CG2-CB 4.31Å; T172-A175 WeakPolarHBondContact O-CB 3.31Å; T172-A175 PolarHBondContact O-N 3.14Å; P173-A175 PolarHBondContact O-N 3.42Å | ||
| 176 | F | 92.4 | Very high | 88.8 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 7% | 0.07 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 152.5 | -177.9 | 57.4 | -95.2 | 0 | 0 | 0 | 113.4 | C36 Y37 L42 R160 R161 C163 F178 | C36-F176 CarbonylContact C-O 3.57Å; C36-F176 WeakPolarHBondContact CA-O 3.07Å; Y37-F176 HydrophobicContact CD2-CD2 4.42Å; Y37-F176 HydrophobicContact CD2-CE2 4.34Å; Y37-F176 HydrophobicContact CG-CE2 4.35Å; Y37-F176 PolarHBondContact N-O 2.67Å; Y37-F176 PolarHBondContact O-N 3.07Å; L42-F176 HydrophobicContact CB-CZ 4.26Å; L42-F176 HydrophobicContact CD2-CE2 4.22Å; R160-F176 VanDerWaalsContact CD-CD2 3.43Å; R160-F176 HydrophobicContact CG-CB 3.56Å; R160-F176 HydrophobicContact CG-CD1 4.46Å; R160-F176 HydrophobicContact CG-CD2 3.47Å; R160-F176 VanDerWaalsContact CG-CD2 3.47Å; R160-F176 HydrophobicContact CG-CE2 4.26Å; R160-F176 HydrophobicContact CG-CG 3.58Å; R161-F176 CarbonylContact O-C 3.53Å; R161-F176 WeakPolarHBondContact O-CA 3.43Å; R161-F176 WeakPolarHBondContact O-CB 3.46Å; C163-F176 VanDerWaalsContact SG-CA 3.57Å; F176-F178 HydrophobicContact CD2-CE2 4.09Å; F176-F178 HydrophobicContact CD2-CZ 4.48Å; F176-F178 AromaticContact CE2-CE2 3.79Å; F176-F178 HydrophobicContact CE2-CE2 3.79Å; F176-F178 HydrophobicContact CE2-CZ 4.14Å |
| 177 | A | 92.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 160.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | P34 R160 R161 C163 | P34-A177 HydrophobicContact CB-CB 4.18Å; P34-A177 HydrophobicContact CG-CB 4.25Å; R160-A177 WeakPolarHBondContact CA-O 3.41Å; R161-A177 PolarHBondContact N-O 3.28Å; R161-A177 PolarHBondContact O-N 3.03Å; C163-A177 HydrophobicContact CB-CB 3.88Å |
| 178 | F | 91.8 | Very high | 90.7 | Very high | 22 Ų | 22 | 58.6 Ų | 58.6 | 10% | 0.096 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 137.5 | 174.8 | -72.9 | -84.4 | 0 | 0 | 0 | 111.8 | Y37 L42 P48 L51 L158 R159 R160 F176 | Y37-F178 HydrophobicContact CD2-CD2 4.12Å; Y37-F178 HydrophobicContact CD2-CE2 4.27Å; Y37-F178 HydrophobicContact CE2-CD2 4.04Å; L42-F178 HydrophobicContact CD2-CE2 3.43Å; L42-F178 VanDerWaalsContact CD2-CE2 3.43Å; L42-F178 HydrophobicContact CD2-CZ 3.76Å; P48-F178 HydrophobicContact CG-CD2 3.93Å; P48-F178 HydrophobicContact CG-CE2 4.01Å; L51-F178 HydrophobicContact CD1-CB 3.57Å; L51-F178 HydrophobicContact CD1-CD2 4.35Å; L51-F178 HydrophobicContact CD1-CG 4.14Å; L158-F178 HydrophobicContact CB-CB 4.4Å; L158-F178 HydrophobicContact CB-CD1 3.72Å; L158-F178 HydrophobicContact CB-CE1 4.47Å; L158-F178 HydrophobicContact CB-CG 4.42Å; R159-F178 CarbonylContact O-C 3.49Å; R159-F178 WeakPolarHBondContact O-CA 3.05Å; R160-F178 HydrophobicContact CB-CD1 4.42Å; R160-F178 HydrophobicContact CB-CE1 4.1Å; F176-F178 HydrophobicContact CD2-CE2 4.09Å; F176-F178 HydrophobicContact CD2-CZ 4.48Å; F176-F178 AromaticContact CE2-CE2 3.79Å; F176-F178 HydrophobicContact CE2-CE2 3.79Å; F176-F178 HydrophobicContact CE2-CZ 4.14Å |
| 179 | H | 90.4 | Very high | 91.7 | Very high | 68 Ų | 68 | 55.4 Ų | 55.4 | 32% | 0.315 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 137.7 | 175.6 | -57.7 | -97.4 | 0 | 0 | 0 | 109.9 | L158 R159 | L158-H179 CarbonylContact C-O 3.58Å; L158-H179 WeakPolarHBondContact CA-O 3.17Å; R159-H179 PolarHBondContact N-O 3.24Å; R159-H179 PolarHBondContact O-N 3.3Å |
| 180 | T | 90.4 | Very high | 92.8 | Very high | 104 Ų | 104 | 54.6 Ų | 54.6 | 64% | 0.638 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 129.9 | 173.4 | 44.3 | 0 | 0 | 0 | 0 | 111.4 | L156 V157 L158 | L156-T180 HydrophobicContact CD1-CG2 4.22Å; V157-T180 WeakPolarHBondContact O-CA 3.4Å; L158-T180 HydrophobicContact CD2-CG2 3.85Å |
| 181 | E | 91.4 | Very high | 93.5 | Very high | 52 Ų | 52 | 49.9 Ų | 49.9 | 24% | 0.243 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 140.5 | 176.5 | -175.3 | 177.2 | 114.8 | 0 | 0 | 109.5 | L156 V157 R159 R161 I183 | L156-E181 CarbonylContact C-O 3.55Å; V157-E181 HydrophobicContact CG2-CB 4.27Å; V157-E181 WeakPolarHBondContact CG2-O 3.32Å; V157-E181 PolarHBondContact N-O 2.65Å; V157-E181 PolarHBondContact O-N 3.32Å; R159-E181 HydrophobicContact CG-CB 3.94Å; R159-E181 HydrophobicContact CG-CG 4.49Å; R159-E181 WeakPolarHBondContact CG-OE2 3.35Å; R159-E181 IonicContact CZ-OE1 2.73Å; R159-E181 VanDerWaalsContact CZ-OE1 3.31Å; R159-E181 VanDerWaalsContact NE-CD 3.27Å; R159-E181 IonicContact NE-OE1 3.11Å; R159-E181 PolarHBondContact NE-OE1 3.06Å; R159-E181 IonicContact NE-OE2 2.85Å; R159-E181 PolarHBondContact NE-OE2 3Å; R159-E181 VanDerWaalsContact NE-OE2 3.14Å; R159-E181 IonicContact NH2-OE1 3.28Å; R159-E181 PolarHBondContact NH2-OE1 3.04Å; R161-E181 IonicContact NH2-OE2 4Å; R161-E181 PolarHBondContact NH2-OE2 3.07Å; E181-I183 HydrophobicContact CG-CG2 4.23Å; E181-I183 WeakPolarHBondContact OE1-CG2 3.44Å |
| 182 | F | 93.4 | Very high | 94 | Very high | 143 Ų | 143 | 49.1 Ų | 49.1 | 63% | 0.627 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121.5 | 168.6 | -77.2 | -82.2 | 0 | 0 | 0 | 109.7 | S154 L155 L156 | S154-F182 WeakPolarHBondContact OG-CD1 3.37Å; L155-F182 WeakPolarHBondContact O-CA 3.46Å; L156-F182 HydrophobicContact CB-CD1 4.04Å; L156-F182 HydrophobicContact CB-CE1 3.72Å; L156-F182 HydrophobicContact CB-CZ 4.24Å; L156-F182 HydrophobicContact CD1-CD1 4.36Å; L156-F182 HydrophobicContact CD1-CD2 4.19Å; L156-F182 HydrophobicContact CD1-CE1 4.16Å; L156-F182 HydrophobicContact CD1-CE2 3.98Å; L156-F182 HydrophobicContact CD1-CG 4.39Å; L156-F182 HydrophobicContact CD1-CZ 3.97Å; L156-F182 HydrophobicContact CG-CE1 4.44Å; L156-F182 HydrophobicContact CG-CZ 4.5Å |
| 183 | I | 95.3 | Very high | 94.4 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 11% | 0.108 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 154.2 | 176.6 | 60.5 | 163.6 | 0 | 0 | 0 | 111.2 | L124 S154 L155 V157 E181 V185 | L124-I183 HydrophobicContact CD1-CD1 3.71Å; S154-I183 WeakPolarHBondContact CA-O 3.26Å; L155-I183 HydrophobicContact CB-CG1 4.3Å; L155-I183 PolarHBondContact N-O 3.37Å; L155-I183 WeakPolarHBondContact O-CG1 3.45Å; L155-I183 PolarHBondContact O-N 3.11Å; V157-I183 HydrophobicContact CG1-CD1 3.81Å; V157-I183 HydrophobicContact CG1-CG1 3.95Å; V157-I183 HydrophobicContact CG2-CD1 4.25Å; V157-I183 HydrophobicContact CG2-CG1 4.08Å; V157-I183 HydrophobicContact CG2-CG2 3.9Å; E181-I183 HydrophobicContact CG-CG2 4.23Å; E181-I183 WeakPolarHBondContact OE1-CG2 3.44Å; I183-V185 HydrophobicContact CD1-CG2 3.68Å; I183-V185 HydrophobicContact CG1-CG2 3.92Å |
| 184 | R | 96.7 | Very high | 94.6 | Very high | 197 Ų | 197 | 50.6 Ų | 50.6 | 74% | 0.743 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 107.9 | 174 | -66.3 | -169 | -63.3 | -127.9 | 0.1 | 110.1 | L152 | L152-R184 HydrophobicContact CB-CB 4.45Å; L152-R184 HydrophobicContact CD1-CB 4.29Å |
| 185 | V | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.3 | -179 | -177.2 | 0 | 0 | 0 | 0 | 110 | P63 L124 F126 L152 Q153 L155 I183 V187 | P63-V185 HydrophobicContact CB-CG1 3.8Å; P63-V185 HydrophobicContact CG-CB 4.19Å; P63-V185 HydrophobicContact CG-CG1 3.59Å; L124-V185 HydrophobicContact CD1-CG2 4.11Å; F126-V185 HydrophobicContact CD1-CG1 3.79Å; F126-V185 HydrophobicContact CE1-CB 4.45Å; F126-V185 HydrophobicContact CE1-CG1 3.68Å; F126-V185 HydrophobicContact CE1-CG2 4.23Å; F126-V185 HydrophobicContact CZ-CG1 4.35Å; F126-V185 HydrophobicContact CZ-CG2 4.47Å; L152-V185 WeakPolarHBondContact CA-O 3.33Å; Q153-V185 PolarHBondContact N-O 2.86Å; Q153-V185 PolarHBondContact O-N 2.89Å; L155-V185 HydrophobicContact CB-CG2 3.94Å; L155-V185 HydrophobicContact CD2-CG2 4Å; I183-V185 HydrophobicContact CD1-CG2 3.68Å; I183-V185 HydrophobicContact CG1-CG2 3.92Å; V185-V187 PolarHBondContact O-N 3.45Å |
| 186 | P | 98.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 7% | 0.065 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 117.5 | 173.1 | 30.1 | -32.5 | 0 | 0 | 0 | 110.4 | F126 A127 R150 L151 L152 | F126-P186 HydrophobicContact CB-CG 3.96Å; F126-P186 HydrophobicContact CD2-CG 3.66Å; F126-P186 HydrophobicContact CE2-CG 4.36Å; F126-P186 HydrophobicContact CG-CG 3.9Å; A127-P186 HydrophobicContact CB-CB 4.31Å; A127-P186 WeakPolarHBondContact CB-O 3.47Å; A127-P186 PolarHBondContact N-O 3.24Å; A127-P186 WeakPolarHBondContact O-CB 3.26Å; R150-P186 HydrophobicContact CB-CB 4.17Å; R150-P186 HydrophobicContact CG-CB 4.36Å; L151-P186 CarbonylContact O-C 3.56Å; L151-P186 VanDerWaalsContact O-CA 3.31Å; L151-P186 WeakPolarHBondContact O-CA 3.34Å; L152-P186 HydrophobicContact CD2-CB 3.94Å |
| 187 | V | 97.3 | Very high | 92.7 | Very high | 26 Ų | 26 | 74 Ų | 74 | 16% | 0.158 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -16.5 | -177.2 | -70.6 | 0 | 0 | 0 | 0 | 113.8 | L62 P63 Y111 L151 Q153 V185 | L62-V187 HydrophobicContact CD2-CB 4.25Å; P63-V187 HydrophobicContact CG-CG1 3.87Å; Y111-V187 PolarHBondContact OH-O 3.01Å; L151-V187 HydrophobicContact CB-CG2 4.15Å; L151-V187 WeakPolarHBondContact O-CG2 3.32Å; L151-V187 PolarHBondContact O-N 3.1Å; Q153-V187 HydrophobicContact CB-CG1 3.67Å; Q153-V187 HydrophobicContact CB-CG2 4.24Å; V185-V187 PolarHBondContact O-N 3.45Å |
| 188 | G | 98 | Very high | 92.7 | Very high | 2 Ų | 2 | 77.7 Ų | 77.7 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.7 | -168.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A127 L151 | A127-G188 VanDerWaalsContact CB-CA 3.47Å; A127-G188 VanDerWaalsContact CB-N 3.33Å; L151-G188 PolarHBondContact N-O 3.47Å |
| 189 | C | 98.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 80.6 Ų | 80.6 | 3% | 0.027 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 149.9 | 169.4 | -60.7 | 0 | 0 | 0 | 0 | 110.4 | S107 W109 C129 V149 | S107-C189 PolarHBondContact OG-O 2.57Å; W109-C189 HydrophobicContact CB-CB 4.29Å; W109-C189 HydrophobicContact CE3-CB 4.04Å; W109-C189 VanDerWaalsContact CE3-N 3.29Å; W109-C189 VanDerWaalsContact CZ3-O 3.3Å; W109-C189 WeakPolarHBondContact CZ3-O 3.33Å; C129-C189 WeakPolarHBondContact CA-SG 3.39Å; C129-C189 HydrophobicContact CB-CB 3.92Å; C129-C189 WeakPolarHBondContact CB-SG 3.41Å; C129-C189 PolarHBondContact N-SG 2.91Å; C129-C189 VanDerWaalsContact N-SG 3.35Å; C129-C189 WeakPolarHBondContact SG-CB 3.43Å; C129-C189 CovalentContact SG-SG 2.03Å; C129-C189 PolarHBondContact SG-SG 3.23Å; V149-C189 CarbonylContact O-C 3.53Å; V149-C189 VanDerWaalsContact O-CA 3.26Å; V149-C189 WeakPolarHBondContact O-CA 3.42Å |
| 190 | T | 98.4 | Very high | 92.9 | Very high | 50 Ų | 50 | 81.3 Ų | 81.3 | 31% | 0.307 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 158.8 | 175.2 | -169.7 | 0 | 0 | 0 | 0 | 110 | S107 S148 V149 L151 V192 | S107-T190 WeakPolarHBondContact OG-CA 3.4Å; S148-T190 WeakPolarHBondContact CA-O 3.26Å; V149-T190 HydrophobicContact CG2-CG2 3.66Å; V149-T190 PolarHBondContact N-O 3.26Å; V149-T190 PolarHBondContact O-N 3.18Å; L151-T190 HydrophobicContact CD1-CG2 4.48Å; L151-T190 HydrophobicContact CD2-CG2 3.52Å; L151-T190 HydrophobicContact CG-CG2 3.82Å; T190-V192 HydrophobicContact CG2-CG1 4.14Å |
| 191 | C | 98 | Very high | 93 | Very high | 28 Ų | 28 | 80 Ų | 80 | 19% | 0.189 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.6 | 178 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | I106 S107 C134 L146 | I106-C191 HydrophobicContact CD1-CB 3.96Å; I106-C191 HydrophobicContact CG1-CB 4.18Å; S107-C191 PolarHBondContact OG-N 3.34Å; C134-C191 HydrophobicContact CB-CB 4.01Å; C134-C191 WeakPolarHBondContact CB-SG 3.37Å; C134-C191 WeakPolarHBondContact SG-CA 3.42Å; C134-C191 WeakPolarHBondContact SG-CB 3.31Å; C134-C191 CovalentContact SG-SG 2.03Å; C134-C191 PolarHBondContact SG-SG 3.19Å; L146-C191 VanDerWaalsContact CB-SG 3.58Å; L146-C191 VanDerWaalsContact CD1-SG 3.6Å |
| 192 | V | 97.8 | Very high | 93.1 | Very high | 55 Ų | 55 | 81.8 Ų | 81.8 | 33% | 0.333 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 155.9 | -179.7 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | L146 N147 V149 T190 | L146-V192 WeakPolarHBondContact CA-O 3.49Å; N147-V192 HydrophobicContact CB-CG2 4.2Å; N147-V192 PolarHBondContact N-O 3.22Å; N147-V192 PolarHBondContact O-N 2.82Å; V149-V192 HydrophobicContact CB-CG2 4.45Å; V149-V192 HydrophobicContact CG1-CG2 3.76Å; V149-V192 HydrophobicContact CG2-CB 4.44Å; V149-V192 HydrophobicContact CG2-CG1 3.76Å; V149-V192 HydrophobicContact CG2-CG2 3.79Å; T190-V192 HydrophobicContact CG2-CG1 4.14Å |
| 193 | L | 97.4 | Very high | 93.1 | Very high | 143 Ų | 143 | 77.7 Ų | 77.7 | 75% | 0.749 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 141.4 | 165.5 | -66.5 | 175.9 | 0 | 0 | 0 | 109.8 | L146 | L146-L193 HydrophobicContact CD2-CD2 3.78Š|
| 194 | P | 94 | Very high | 92.9 | Very high | 57 Ų | 57 | 81.7 Ų | 81.7 | 37% | 0.37 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 150.7 | 169.2 | -20.1 | 34 | 0 | 0 | 0 | 111 | A145 N147 S196 | A145-P194 WeakPolarHBondContact O-CD 3.05Å; A145-P194 WeakPolarHBondContact O-CG 3.42Å; N147-P194 WeakPolarHBondContact ND2-CA 3.35Å; N147-P194 WeakPolarHBondContact ND2-CB 3.39Å; P194-S196 PolarHBondContact O-N 3.11Å |
| 195 | R | 90.2 | Very high | 92.6 | Very high | 239 Ų | 239 | 72.8 Ų | 72.8 | 90% | 0.902 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 131.5 | 166.6 | -65.7 | 179.9 | 177.9 | 167.7 | -2.4 | 107.9 | V197 | R195-V197 PolarHBondContact O-N 3.1Š|
| 196 | S | 79.6 | Confident | 92.3 | Very high | 118 Ų | 118 | 78.9 Ų | 78.9 | 83% | 0.825 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 131.2 | 161.7 | 51.1 | 0 | 0 | 0 | 0 | 108.7 | P194 | P194-S196 PolarHBondContact O-N 3.11Š|
| 197 | V | 60 | Low | 91.7 | Very high | 215 Ų | 215 | 85.2 Ų | 85.2 | 100% | 1.303 | 47% | 0.471 | S | S | * | . | trans | -82.2 | 0 | 165.8 | -177 | 0 | 0 | 0 | 0 | 108.2 | R195 | R195-V197 PolarHBondContact O-N 3.1Š|
Retrieved 197 of 197 residues in 32.1 ms
(Link to these results)