| 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 | 27.3 | Very low | 35.3 | Very low | 244 Ų | 244 | 111.3 Ų | 111.3 | 100% | 1.202 | 69% | 0.688 | S | S | * | * | 0 | 145.6 | 0 | -70.1 | -171.2 | -80.1 | 0 | 0 | 107.9 | |||||
| 2 | G | 29.3 | Very low | 35.7 | Very low | 82 Ų | 82 | 105.6 Ų | 105.6 | 85% | 0.845 | 65% | 0.654 | S | S | * | * | trans | 72.6 | 153.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 3 | C | 27 | Very low | 36 | Very low | 120 Ų | 120 | 100.8 Ų | 100.8 | 81% | 0.811 | 63% | 0.626 | S | S | * | * | cis | -137.1 | 130.1 | -9.9 | -172.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 4 | G | 30.6 | Very low | 36.1 | Very low | 76 Ų | 76 | 107.8 Ų | 107.8 | 78% | 0.784 | 64% | 0.643 | S | S | * | * | trans | -109.2 | 91.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S6 | G4-S6 VanDerWaalsContact C-N 3.28Å; G4-S6 PolarHBondContact O-N 2.87Å | ||
| 5 | T | 36.8 | Very low | 36.3 | Very low | 125 Ų | 125 | 109.9 Ų | 109.9 | 77% | 0.767 | 65% | 0.649 | S | S | * | * | trans | -77.2 | 75.5 | 176.2 | 42.9 | 0 | 0 | 0 | 0 | 111.4 | K7 | T5-K7 PolarHBondContact O-N 2.84Š| ||
| 6 | S | 30.4 | Very low | 36.4 | Very low | 94 Ų | 94 | 106.6 Ų | 106.6 | 66% | 0.657 | 63% | 0.631 | S | S | * | * | trans | -57.2 | 130.9 | 167.4 | -174.2 | 0 | 0 | 0 | 0 | 109.8 | G4 V8 | G4-S6 VanDerWaalsContact C-N 3.28Å; G4-S6 PolarHBondContact O-N 2.87Å; S6-V8 PolarHBondContact O-N 3.02Å | ||
| 7 | K | 44.9 | Very low | 36.2 | Very low | 143 Ų | 143 | 111.2 Ų | 111.2 | 62% | 0.622 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -75.6 | 15.7 | -175.1 | -67.7 | -165.4 | 175.1 | -168.4 | 0 | 114.3 | T5 | T5-K7 PolarHBondContact O-N 2.84Š|
| 8 | V | 38.2 | Very low | 36.3 | Very low | 114 Ų | 114 | 107.5 Ų | 107.5 | 69% | 0.691 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 117.2 | 176.1 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | S6 | S6-V8 PolarHBondContact O-N 3.02Š|
| 9 | L | 43.8 | Very low | 36.1 | Very low | 20 Ų | 20 | 108.6 Ų | 108.6 | 11% | 0.105 | 63% | 0.625 | C | S | . | * | P | Polyproline II helix | trans | -75.3 | 142.2 | 173.9 | -53.9 | -169.6 | 0 | 0 | 0 | 110.1 | T257 I264 L269 | L9-T257 HydrophobicContact CB-CG2 4.1Å; L9-T257 HydrophobicContact CD1-CG2 3.59Å; L9-T257 HydrophobicContact CG-CG2 3.82Å; L9-I264 HydrophobicContact CD1-CD1 3.62Å; L9-L269 HydrophobicContact CD1-CD2 3.9Å |
| 10 | P | 41 | Very low | 36 | Very low | 70 Ų | 70 | 109 Ų | 109 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 162.1 | 176.4 | 28.4 | -35.5 | 0 | 0 | 0 | 111.6 | Y306 | P10-Y306 HydrophobicContact CG-CE2 4.19Š|
| 11 | E | 38.8 | Very low | 35.8 | Very low | 136 Ų | 136 | 110 Ų | 110 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 138.5 | 179.1 | -54.6 | -103.8 | 105.6 | 0 | 0 | 111 | R271 | E11-R271 IonicContact OE1-CZ 3.67Å; E11-R271 IonicContact OE1-NH1 3.76Å; E11-R271 PolarHBondContact OE1-NH1 3.29Å; E11-R271 IonicContact OE1-NH2 2.7Å; E11-R271 PolarHBondContact OE1-NH2 2.81Å |
| 12 | P | 40.7 | Very low | 36 | Very low | 43 Ų | 43 | 106.8 Ų | 106.8 | 28% | 0.279 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -67.9 | 149.8 | 172.3 | 29 | -34.3 | 0 | 0 | 0 | 111 | ||
| 13 | P | 39.8 | Very low | 35.9 | Very low | 44 Ų | 44 | 110 Ų | 110 | 29% | 0.286 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 139.7 | 170.6 | -22.7 | 33.4 | 0 | 0 | 0 | 111.3 | D15 T303 | P13-D15 WeakPolarHBondContact CB-OD2 3.5Å; P13-D15 PolarHBondContact O-N 3.29Å; P13-D15 VanDerWaalsContact O-N 3.11Å; P13-T303 HydrophobicContact CG-CG2 4.16Å |
| 14 | K | 37.1 | Very low | 36.1 | Very low | 198 Ų | 198 | 110.5 Ų | 110.5 | 86% | 0.861 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -3.6 | -172.7 | -65.3 | -176.4 | 178.1 | 180 | 0 | 113.7 | ||
| 15 | D | 38.8 | Very low | 35.9 | Very low | 139 Ų | 139 | 113.2 Ų | 113.2 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 3.6 | -161.4 | -15.5 | -69.4 | 0 | 0 | 0 | 112.5 | P13 | P13-D15 WeakPolarHBondContact CB-OD2 3.5Å; P13-D15 PolarHBondContact O-N 3.29Å; P13-D15 VanDerWaalsContact O-N 3.11Å |
| 16 | V | 38.5 | Very low | 35.4 | Very low | 58 Ų | 58 | 112.9 Ų | 112.9 | 35% | 0.352 | 59% | 0.594 | S | S | . | * | trans | -101.4 | 88.5 | -175.3 | -173.4 | 0 | 0 | 0 | 0 | 111 | L18 L310 | V16-L18 PolarHBondContact O-N 3.41Å; V16-L310 HydrophobicContact CG1-CD1 4.48Å | ||
| 17 | Q | 33.1 | Very low | 35.4 | Very low | 185 Ų | 185 | 118 Ų | 118 | 86% | 0.864 | 61% | 0.605 | S | S | * | * | trans | -77.1 | 117.9 | 169.3 | -146.7 | 169.5 | 22 | 0 | 0 | 109.6 | D19 | Q17-D19 PolarHBondContact O-N 2.94Š| ||
| 18 | L | 36.9 | Very low | 34.8 | Very low | 44 Ų | 44 | 116.4 Ų | 116.4 | 23% | 0.23 | 61% | 0.611 | C | S | . | * | trans | -81.9 | 92.3 | -179.7 | -94 | 159.8 | 0 | 0 | 0 | 110.9 | V16 L20 V270 | V16-L18 PolarHBondContact O-N 3.41Å; L18-L20 PolarHBondContact O-N 3.35Å; L18-V270 HydrophobicContact CD1-CB 4.33Å; L18-V270 HydrophobicContact CD1-CG1 3.78Å; L18-V270 HydrophobicContact CD1-CG2 3.74Å | ||
| 19 | D | 33.6 | Very low | 34.7 | Very low | 128 Ų | 128 | 113.8 Ų | 113.8 | 68% | 0.684 | 61% | 0.607 | S | S | * | * | trans | -73.9 | 84.3 | 158.5 | -93.7 | -36.8 | 0 | 0 | 0 | 110.1 | Q17 K22 | Q17-D19 PolarHBondContact O-N 2.94Å; D19-K22 IonicContact OD1-NZ 2.69Å; D19-K22 PolarHBondContact OD1-NZ 3Å | ||
| 20 | L | 33.1 | Very low | 34.2 | Very low | 116 Ų | 116 | 119.7 Ų | 119.7 | 61% | 0.607 | 64% | 0.644 | S | S | * | * | trans | -55.9 | 139.7 | 158.2 | -67.9 | 164.7 | 0 | 0 | 0 | 108.7 | L18 K22 | L18-L20 PolarHBondContact O-N 3.35Å; L20-K22 WeakPolarHBondContact O-CG 3.29Å; L20-K22 PolarHBondContact O-N 2.61Å | ||
| 21 | V | 31.9 | Very low | 34 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 80% | 0.8 | 67% | 0.667 | S | S | * | * | trans | -65.9 | 95.2 | -177.3 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | K23 | V21-K23 VanDerWaalsContact C-N 3.28Å; V21-K23 WeakPolarHBondContact CG1-O 3.46Å; V21-K23 PolarHBondContact O-N 2.7Å | ||
| 22 | K | 31.1 | Very low | 33.6 | Very low | 176 Ų | 176 | 125.1 Ų | 125.1 | 77% | 0.765 | 67% | 0.672 | S | S | * | * | trans | -76.1 | -6 | -174.7 | -75.8 | 161.2 | -169.8 | 149.2 | 0 | 114.7 | D19 L20 | D19-K22 IonicContact OD1-NZ 2.69Å; D19-K22 PolarHBondContact OD1-NZ 3Å; L20-K22 WeakPolarHBondContact O-CG 3.29Å; L20-K22 PolarHBondContact O-N 2.61Å | ||
| 23 | K | 27 | Very low | 33.5 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 64% | 0.643 | 69% | 0.693 | S | S | * | * | trans | -145.3 | 128 | -177.6 | -151.2 | -178.8 | -173.4 | -166.4 | 0 | 110.8 | V21 E25 | V21-K23 VanDerWaalsContact C-N 3.28Å; V21-K23 WeakPolarHBondContact CG1-O 3.46Å; V21-K23 PolarHBondContact O-N 2.7Å; K23-E25 HydrophobicContact CD-CG 4.07Å; K23-E25 WeakPolarHBondContact CD-OE1 3.44Å; K23-E25 WeakPolarHBondContact CE-OE1 3.45Å; K23-E25 HydrophobicContact CG-CG 4.22Å; K23-E25 IonicContact NZ-OE1 2.9Å; K23-E25 PolarHBondContact NZ-OE1 2.77Å | ||
| 24 | V | 31.3 | Very low | 33.3 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | trans | -99.9 | 116.6 | 166.7 | -179.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 25 | E | 26.6 | Very low | 33.2 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 62% | 0.621 | 71% | 0.706 | S | S | * | * | trans | -107 | 138.1 | 169.6 | -62.5 | -161.2 | 162.9 | 0 | 0 | 109.8 | K23 F27 | K23-E25 HydrophobicContact CD-CG 4.07Å; K23-E25 WeakPolarHBondContact CD-OE1 3.44Å; K23-E25 WeakPolarHBondContact CE-OE1 3.45Å; K23-E25 HydrophobicContact CG-CG 4.22Å; K23-E25 IonicContact NZ-OE1 2.9Å; K23-E25 PolarHBondContact NZ-OE1 2.77Å; E25-F27 PolarHBondContact O-N 2.7Å | ||
| 26 | P | 27.6 | Very low | 33 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | trans | -69.9 | 128.9 | 179.8 | 28.8 | -33.6 | 0 | 0 | 0 | 110.3 | S28 | P26-S28 PolarHBondContact O-N 2.64Š| ||
| 27 | F | 30.6 | Very low | 32.7 | Very low | 202 Ų | 202 | 139 Ų | 139 | 89% | 0.886 | 73% | 0.726 | S | S | * | * | trans | -74 | 89.1 | -175.3 | -172.9 | -96 | 0 | 0 | 0 | 112.1 | E25 | E25-F27 PolarHBondContact O-N 2.7Š| ||
| 28 | S | 31.2 | Very low | 32.5 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | -88.6 | 116.1 | 161.9 | 48.9 | 0 | 0 | 0 | 0 | 109.5 | P26 T30 | P26-S28 PolarHBondContact O-N 2.64Å; S28-T30 PolarHBondContact O-N 2.86Å | ||
| 29 | G | 37.3 | Very low | 32.3 | Very low | 59 Ų | 59 | 144.5 Ų | 144.5 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | trans | -83 | 106.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 30 | T | 31.7 | Very low | 32 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | trans | -151.2 | 157.6 | 147.6 | 22.4 | 0 | 0 | 0 | 0 | 110.3 | S28 | S28-T30 PolarHBondContact O-N 2.86Š| ||
| 31 | K | 37.6 | Very low | 31.8 | Very low | 214 Ų | 214 | 147.1 Ų | 147.1 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | trans | -78.9 | 137 | -167.7 | -63.1 | 174.7 | 178.1 | 176.3 | 0 | 114.4 | ||||
| 32 | S | 31.1 | Very low | 31.9 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | -150.3 | 146.1 | 127.6 | 62.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 33 | D | 37.2 | Very low | 31.8 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -110.1 | 98 | -171 | -166.7 | -8.9 | 0 | 0 | 0 | 110.4 | Y35 | D33-Y35 PolarHBondContact O-N 2.85Š| ||
| 34 | V | 36.6 | Very low | 31.8 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -13.9 | -162.6 | -175.1 | 0 | 0 | 0 | 0 | 113.1 | K36 | V34-K36 PolarHBondContact O-N 2.85Š|
| 35 | Y | 33.9 | Very low | 31.8 | Very low | 188 Ų | 188 | 144 Ų | 144 | 74% | 0.737 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 12.7 | -172.1 | -71.4 | -75.3 | 0 | 0 | 0 | 115.3 | D33 H37 | D33-Y35 PolarHBondContact O-N 2.85Å; Y35-H37 PolarHBondContact O-N 2.81Å |
| 36 | K | 34.3 | Very low | 32 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 77% | 0.774 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 5.9 | -173.5 | -141.3 | -178 | -177.3 | -173.9 | 0 | 116.3 | V34 | V34-K36 PolarHBondContact O-N 2.85Š|
| 37 | H | 33 | Very low | 32 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.8 | 13.9 | -171.7 | -67.5 | -65.8 | 0 | 0 | 0 | 115.6 | Y35 | Y35-H37 PolarHBondContact O-N 2.81Š|
| 38 | F | 28.5 | Very low | 32 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 80% | 0.803 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -121.9 | 27.7 | 177.4 | -76.3 | -75.4 | 0 | 0 | 0 | 114.1 | ||
| 39 | I | 32.3 | Very low | 31.9 | Very low | 162 Ų | 162 | 142.3 Ų | 142.3 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -124.8 | 95.4 | 168.4 | -56 | 179.6 | 0 | 0 | 0 | 108 | ||||
| 40 | T | 29.1 | Very low | 31.4 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -118.4 | 107.9 | 166.1 | 50.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 41 | E | 28.8 | Very low | 31.2 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 28.5 | 113.2 | 149.2 | -66.9 | 163.3 | -177.1 | 0 | 0 | 118.9 | ||||
| 42 | V | 32.7 | Very low | 30.7 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | -133.6 | 115.6 | 129.6 | -168.8 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 43 | D | 29.7 | Very low | 30.7 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 67% | 0.674 | 79% | 0.785 | S | S | * | * | trans | -63.5 | 168.6 | 170.2 | -88 | -63 | 0 | 0 | 0 | 113.8 | ||||
| 44 | S | 27 | Very low | 30.2 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | cis | -165 | 138.5 | -23.1 | -120.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 45 | V | 31.1 | Very low | 29.8 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -141.5 | 138.3 | 161.6 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 46 | G | 30.2 | Very low | 29.5 | Very low | 60 Ų | 60 | 136 Ų | 136 | 62% | 0.619 | 80% | 0.803 | S | S | * | * | trans | -72.7 | -179.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 47 | P | 28.9 | Very low | 29.2 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 133.7 | -158.4 | 31.9 | -36.1 | 0 | 0 | 0 | 114.8 | ||
| 48 | V | 29.1 | Very low | 28.8 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 118.5 | 159.3 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | ||
| 49 | K | 29.5 | Very low | 28.7 | Very low | 193 Ų | 193 | 131.7 Ų | 131.7 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73 | 140.2 | -179.5 | -68.1 | 180 | 177.7 | 177.8 | 0 | 111.1 | ||
| 50 | A | 27.9 | Very low | 28.7 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 88% | 0.884 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 145.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 51 | G | 26 | Very low | 29.2 | Very low | 71 Ų | 71 | 130.7 Ų | 130.7 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | trans | -167.6 | 103 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 52 | F | 28.6 | Very low | 29.1 | Very low | 209 Ų | 209 | 128.1 Ų | 128.1 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -72.6 | 145.6 | 158.3 | -74.3 | -90.2 | 0 | 0 | 0 | 109.2 | ||||
| 53 | P | 31.1 | Very low | 29.2 | Very low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | -125.8 | 143.7 | 113.1 | 28.7 | -16.8 | 0 | 0 | 0 | 110.3 | |||||
| 54 | A | 26.7 | Very low | 29.2 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | cis | 69.9 | 128.2 | 49.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 55 | A | 28.4 | Very low | 29.9 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 88% | 0.884 | 79% | 0.792 | S | S | * | * | trans | -92.9 | 156.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 56 | S | 27.3 | Very low | 30.3 | Very low | 121 Ų | 121 | 124 Ų | 124 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -139.9 | 159.1 | 158.9 | 60 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 57 | Q | 26.7 | Very low | 30.5 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | trans | -117.8 | -172.7 | -171.7 | -65.5 | 169.9 | -46.5 | 0 | 0 | 110.9 | ||||
| 58 | Y | 25.5 | Very low | 30.7 | Very low | 185 Ų | 185 | 126.9 Ų | 126.9 | 73% | 0.725 | 80% | 0.8 | S | S | * | * | trans | 89.2 | 100.7 | 159.3 | -52.4 | -67.8 | 0 | 0 | 0 | 119.4 | ||||
| 59 | A | 26.7 | Very low | 30.7 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | -144.9 | 134 | 129.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 60 | H | 30.6 | Very low | 30.9 | Very low | 163 Ų | 163 | 122.8 Ų | 122.8 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -118.2 | -164.9 | 172.4 | -65.9 | -79.1 | 0 | 0 | 0 | 109.2 | ||||
| 61 | P | 41.3 | Very low | 31 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | -133.4 | -170.6 | -97.2 | 41.9 | -23.4 | 0 | 0 | 0 | 115.3 | |||||
| 62 | C | 25.9 | Very low | 31.4 | Very low | 118 Ų | 118 | 129 Ų | 129 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 72.3 | 165.4 | 159 | -64.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 63 | P | 34.8 | Very low | 31.8 | Very low | 128 Ų | 128 | 124.6 Ų | 124.6 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | cis | -125.2 | -179.4 | -14.3 | 32.2 | -12.8 | 0 | 0 | 0 | 114.5 | ||||
| 64 | G | 29.2 | Very low | 32.2 | Very low | 64 Ų | 64 | 125.3 Ų | 125.3 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | -124.4 | -155 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 65 | P | 41.7 | Very low | 32.8 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | cis | -103.1 | -107.9 | -1.5 | 27.2 | -5.3 | 0 | 0 | 0 | 110.3 | ||||
| 66 | P | 40.3 | Very low | 33.3 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | cis | -95.5 | -140.7 | -5.6 | 42 | -35.2 | 0 | 0 | 0 | 112.2 | ||||
| 67 | T | 35.2 | Very low | 34.1 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -138.7 | 143.2 | -171.2 | 50.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 68 | A | 31.2 | Very low | 34.7 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 88% | 0.884 | 78% | 0.775 | S | S | * | * | trans | -145.1 | 141.4 | 149.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 69 | G | 30.1 | Very low | 35.4 | Very low | 68 Ų | 68 | 125.9 Ų | 125.9 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -113.9 | 167.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 70 | H | 33.1 | Very low | 36.3 | Very low | 186 Ų | 186 | 132.6 Ų | 132.6 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -158.9 | 123.3 | 158.5 | -93.4 | -61 | 0 | 0 | 0 | 112.5 | ||||
| 71 | T | 31.5 | Very low | 36.7 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 44.3 | 115.1 | 145.2 | -32.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 72 | E | 32.9 | Very low | 36.6 | Very low | 184 Ų | 184 | 135.7 Ų | 135.7 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 142.2 | 164.3 | -64.4 | -176.8 | 118.4 | 0 | 0 | 112.9 | ||
| 73 | P | 37.7 | Very low | 37.4 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 158.1 | 161.8 | 35.1 | -32.5 | 0 | 0 | 0 | 112.1 | ||
| 74 | P | 39.3 | Very low | 37.7 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 147.9 | -171.1 | -19.2 | 32.8 | 0 | 0 | 0 | 114.8 | ||
| 75 | S | 38.9 | Very low | 38.6 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 124.9 | 176.1 | 46 | 0 | 0 | 0 | 0 | 112.7 | ||
| 76 | E | 39.5 | Very low | 39 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 59% | 0.589 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 141.8 | 166.1 | -84.8 | -164.2 | 179 | 0 | 0 | 110.9 | R79 | E76-R79 IonicContact OE1-CZ 2.82Å; E76-R79 IonicContact OE1-NH2 2.67Å; E76-R79 PolarHBondContact OE1-NH2 3.45Å; E76-R79 IonicContact OE2-CZ 2.75Å; E76-R79 IonicContact OE2-NE 2.92Å; E76-R79 PolarHBondContact OE2-NE 2.85Å; E76-R79 IonicContact OE2-NH2 2.63Å; E76-R79 PolarHBondContact OE2-NH2 3.26Å |
| 77 | P | 43.9 | Very low | 39.6 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 147.8 | 172 | 28.9 | -34.7 | 0 | 0 | 0 | 111 | R79 | P77-R79 PolarHBondContact O-N 2.87Š|
| 78 | P | 39.8 | Very low | 40.9 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | -60.1 | 114.2 | -171.4 | 22.6 | -33.7 | 0 | 0 | 0 | 112 | R80 | P78-R80 PolarHBondContact O-N 3.44Š| ||
| 79 | R | 40.3 | Very low | 43.4 | Very low | 195 Ų | 195 | 142.3 Ų | 142.3 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | -61.8 | 94.9 | -178.6 | -65.3 | -177.9 | 178.6 | -166.1 | -1.7 | 110.7 | E76 P77 A81 | E76-R79 IonicContact OE1-CZ 2.82Å; E76-R79 IonicContact OE1-NH2 2.67Å; E76-R79 PolarHBondContact OE1-NH2 3.45Å; E76-R79 IonicContact OE2-CZ 2.75Å; E76-R79 IonicContact OE2-NE 2.92Å; E76-R79 PolarHBondContact OE2-NE 2.85Å; E76-R79 IonicContact OE2-NH2 2.63Å; E76-R79 PolarHBondContact OE2-NH2 3.26Å; P77-R79 PolarHBondContact O-N 2.87Å; R79-A81 PolarHBondContact O-N 2.81Å | ||
| 80 | R | 46.1 | Very low | 46.3 | Very low | 239 Ų | 239 | 140.4 Ų | 140.4 | 90% | 0.902 | 72% | 0.715 | S | S | * | * | trans | -46.6 | 116.6 | 171.5 | -83.3 | -176.3 | 169.1 | 179.6 | -3 | 109.6 | P78 R82 | P78-R80 PolarHBondContact O-N 3.44Å; R80-R82 PolarHBondContact O-N 3.32Å | ||
| 81 | A | 37.5 | Very low | 49.2 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 76% | 0.76 | 68% | 0.68 | S | S | * | * | trans | -57.7 | 106.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | R79 V83 | R79-A81 PolarHBondContact O-N 2.81Å; A81-V83 VanDerWaalsContact C-N 3.33Å; A81-V83 PolarHBondContact O-N 3.41Å | ||
| 82 | R | 38.9 | Very low | 52.2 | Low | 239 Ų | 239 | 131.2 Ų | 131.2 | 90% | 0.902 | 67% | 0.673 | S | S | * | * | trans | -72.4 | 88.2 | 178.5 | -71.8 | 175.9 | 66.6 | -177.3 | 1.7 | 109.1 | R80 A84 | R80-R82 PolarHBondContact O-N 3.32Å; R82-A84 PolarHBondContact O-N 3.07Å | ||
| 83 | V | 44.4 | Very low | 55.2 | Low | 122 Ų | 122 | 128.3 Ų | 128.3 | 74% | 0.739 | 65% | 0.654 | S | S | * | * | trans | -47.6 | 115.9 | 170.7 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | A81 K85 | A81-V83 VanDerWaalsContact C-N 3.33Å; A81-V83 PolarHBondContact O-N 3.41Å; V83-K85 PolarHBondContact O-N 3.13Å | ||
| 84 | A | 40.2 | Very low | 58 | Low | 88 Ų | 88 | 122.8 Ų | 122.8 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | trans | -66.1 | 104.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | R82 Y86 | R82-A84 PolarHBondContact O-N 3.07Å; A84-Y86 PolarHBondContact O-N 3.4Å | ||
| 85 | K | 47.8 | Very low | 60.7 | Low | 203 Ų | 203 | 119.1 Ų | 119.1 | 88% | 0.883 | 59% | 0.593 | S | S | * | * | trans | -65.7 | 97.1 | -172.9 | -145 | 174.1 | -170.6 | 178.3 | 0 | 110.2 | V83 R87 | V83-K85 PolarHBondContact O-N 3.13Å; K85-R87 PolarHBondContact O-N 3.21Å | ||
| 86 | Y | 50.8 | Low | 63.5 | Low | 56 Ų | 56 | 116.9 Ų | 116.9 | 22% | 0.22 | 58% | 0.582 | C | S | . | * | trans | -65.3 | 113.3 | -163.2 | 177.1 | -98 | 0 | 0 | 0 | 112.5 | A84 A88 F90 L103 R111 V113 | A84-Y86 PolarHBondContact O-N 3.4Å; Y86-A88 HydrophobicContact CD1-CB 4.03Å; Y86-A88 HydrophobicContact CE1-CB 3.45Å; Y86-A88 VanDerWaalsContact CE1-CB 3.45Å; Y86-A88 PolarHBondContact O-N 3.06Å; Y86-F90 HydrophobicContact CD1-CE2 4.01Å; Y86-F90 HydrophobicContact CD1-CZ 4.49Å; Y86-F90 AromaticContact CE1-CE2 3.84Å; Y86-F90 HydrophobicContact CE1-CE2 3.84Å; Y86-F90 HydrophobicContact CE1-CZ 4.04Å; Y86-L103 HydrophobicContact CD2-CB 4.31Å; Y86-L103 HydrophobicContact CE2-CB 4Å; Y86-L103 HydrophobicContact CE2-CD1 3.98Å; Y86-L103 HydrophobicContact CE2-CD2 4.29Å; Y86-L103 HydrophobicContact CE2-CG 4.33Å; Y86-R111 PolarHBondContact OH-NE 3.22Å; Y86-R111 PolarHBondContact OH-NH2 2.79Å; Y86-R111 VanDerWaalsContact OH-NH2 3.15Å; Y86-V113 HydrophobicContact CE1-CG1 3.99Å | ||
| 87 | R | 52.2 | Low | 66.3 | Low | 250 Ų | 250 | 114.3 Ų | 114.3 | 94% | 0.943 | 57% | 0.569 | S | S | * | * | trans | -94.3 | 36.9 | -168.6 | -99.2 | -178.8 | 161.9 | 169.8 | -5.7 | 115.5 | K85 | K85-R87 PolarHBondContact O-N 3.21Š| ||
| 88 | A | 63.1 | Low | 68.9 | Low | 32 Ų | 32 | 109.4 Ų | 109.4 | 26% | 0.264 | 54% | 0.537 | S | S | . | . | trans | -75 | 133.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y86 F90 | Y86-A88 HydrophobicContact CD1-CB 4.03Å; Y86-A88 HydrophobicContact CE1-CB 3.45Å; Y86-A88 VanDerWaalsContact CE1-CB 3.45Å; Y86-A88 PolarHBondContact O-N 3.06Å; A88-F90 HydrophobicContact CB-CD2 4.4Å; A88-F90 HydrophobicContact CB-CE2 4.04Å; A88-F90 WeakPolarHBondContact O-CD2 3.25Å; A88-F90 PolarHBondContact O-N 2.91Å | ||
| 89 | K | 82.9 | Confident | 71.6 | Confident | 190 Ų | 190 | 106.9 Ų | 106.9 | 83% | 0.826 | 52% | 0.516 | S | S | * | . | trans | -76.5 | 109.2 | 167.2 | -72.9 | -172.4 | 179 | -178.2 | 0 | 108.8 | R167 | K89-R167 PolarHBondContact O-NH1 3.04Š| ||
| 90 | F | 91.2 | Very high | 74.3 | Confident | 27 Ų | 27 | 99.5 Ų | 99.5 | 12% | 0.118 | 49% | 0.491 | C | S | . | . | trans | -81 | 160.8 | 169.3 | -73.9 | -104.4 | 0 | 0 | 0 | 110.7 | Y86 A88 V94 T95 I100 V113 M128 Y169 | Y86-F90 HydrophobicContact CD1-CE2 4.01Å; Y86-F90 HydrophobicContact CD1-CZ 4.49Å; Y86-F90 AromaticContact CE1-CE2 3.84Å; Y86-F90 HydrophobicContact CE1-CE2 3.84Å; Y86-F90 HydrophobicContact CE1-CZ 4.04Å; A88-F90 HydrophobicContact CB-CD2 4.4Å; A88-F90 HydrophobicContact CB-CE2 4.04Å; A88-F90 WeakPolarHBondContact O-CD2 3.25Å; A88-F90 PolarHBondContact O-N 2.91Å; F90-V94 HydrophobicContact CD1-CG1 4.18Å; F90-T95 HydrophobicContact CB-CG2 3.51Å; F90-T95 HydrophobicContact CG-CG2 4.33Å; F90-I100 HydrophobicContact CD1-CD1 3.94Å; F90-I100 HydrophobicContact CD1-CG1 4.31Å; F90-I100 HydrophobicContact CD2-CG1 4.16Å; F90-I100 HydrophobicContact CE1-CD1 3.81Å; F90-I100 HydrophobicContact CE1-CG1 4.26Å; F90-I100 HydrophobicContact CE1-CG2 4.36Å; F90-I100 HydrophobicContact CE2-CB 4.47Å; F90-I100 HydrophobicContact CE2-CG1 4.13Å; F90-I100 HydrophobicContact CE2-CG2 3.75Å; F90-I100 HydrophobicContact CG-CD1 4.38Å; F90-I100 HydrophobicContact CG-CG1 4.28Å; F90-I100 HydrophobicContact CZ-CD1 4.16Å; F90-I100 HydrophobicContact CZ-CG1 4.19Å; F90-I100 HydrophobicContact CZ-CG2 3.64Å; F90-V113 HydrophobicContact CE1-CG2 3.84Å; F90-V113 HydrophobicContact CZ-CG1 4.11Å; F90-V113 HydrophobicContact CZ-CG2 3.81Å; F90-M128 HydrophobicContact CD1-SD 3.78Å; F90-M128 HydrophobicContact CE1-CE 3.98Å; F90-M128 HydrophobicContact CE1-CG 4.29Å; F90-M128 HydrophobicContact CE1-SD 3.24Å; F90-M128 WeakPolarHBondContact CE1-SD 3.07Å; F90-M128 HydrophobicContact CE2-SD 4.48Å; F90-M128 HydrophobicContact CZ-CE 3.77Å; F90-M128 HydrophobicContact CZ-SD 3.63Å; F90-Y169 HydrophobicContact CD1-CD1 4.14Å; F90-Y169 AromaticContact CD1-CE1 3.81Å; F90-Y169 HydrophobicContact CD1-CE1 3.81Å; F90-Y169 HydrophobicContact CE1-CE1 4.49Å; F90-Y169 HydrophobicContact CG-CE1 4.47Å | ||
| 91 | D | 94.1 | Very high | 76.6 | Confident | 22 Ų | 22 | 91.3 Ų | 91.3 | 12% | 0.118 | 46% | 0.462 | C | S | . | . | trans | -63 | 137.7 | 170.7 | -174.1 | -73.1 | 0 | 0 | 0 | 111.3 | R93 V94 T95 T164 Y169 | D91-R93 PolarHBondContact O-N 3.39Å; D91-R93 WeakPolarHBondContact OD1-CB 3.38Å; D91-R93 WeakPolarHBondContact OD1-CG 3.47Å; D91-R93 IonicContact OD1-CZ 3.48Å; D91-R93 PolarHBondContact OD1-N 2.89Å; D91-R93 IonicContact OD1-NE 3.39Å; D91-R93 PolarHBondContact OD1-NE 3.44Å; D91-R93 IonicContact OD1-NH2 2.67Å; D91-R93 IonicContact OD2-CZ 2.64Å; D91-R93 IonicContact OD2-NE 3.7Å; D91-R93 PolarHBondContact OD2-NE 3.2Å; D91-R93 IonicContact OD2-NH2 3.94Å; D91-R93 PolarHBondContact OD2-NH2 3.1Å; D91-V94 HydrophobicContact CB-CG2 4.07Å; D91-V94 WeakPolarHBondContact O-CB 3.26Å; D91-V94 PolarHBondContact O-N 3.44Å; D91-T95 PolarHBondContact O-N 2.89Å; D91-T95 VanDerWaalsContact O-N 3.13Å; D91-T164 HydrophobicContact CB-CG2 4.36Å; D91-T164 WeakPolarHBondContact OD2-CG2 3.45Å; D91-Y169 HydrophobicContact CB-CE2 3.9Å; D91-Y169 PolarHBondContact N-OH 3.43Å | ||
| 92 | P | 94.7 | Very high | 79.4 | Confident | 97 Ų | 97 | 88.9 Ų | 88.9 | 63% | 0.63 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -56.2 | -32.1 | 178.9 | -27.6 | 36.1 | 0 | 0 | 0 | 114.9 | V94 T95 A96 | P92-V94 VanDerWaalsContact C-N 3.32Å; P92-T95 PolarHBondContact O-N 2.67Å; P92-T95 PolarHBondContact O-OG1 2.83Å; P92-A96 WeakPolarHBondContact O-CB 2.94Å; P92-A96 PolarHBondContact O-N 3.01Å |
| 93 | R | 96.3 | Very high | 82 | Confident | 123 Ų | 123 | 80 Ų | 80 | 46% | 0.464 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.8 | -36.8 | 177.6 | -59.3 | 167.5 | -70.1 | 168.2 | -0.7 | 111.2 | D91 F162 E163 | D91-R93 PolarHBondContact O-N 3.39Å; D91-R93 WeakPolarHBondContact OD1-CB 3.38Å; D91-R93 WeakPolarHBondContact OD1-CG 3.47Å; D91-R93 IonicContact OD1-CZ 3.48Å; D91-R93 PolarHBondContact OD1-N 2.89Å; D91-R93 IonicContact OD1-NE 3.39Å; D91-R93 PolarHBondContact OD1-NE 3.44Å; D91-R93 IonicContact OD1-NH2 2.67Å; D91-R93 IonicContact OD2-CZ 2.64Å; D91-R93 IonicContact OD2-NE 3.7Å; D91-R93 PolarHBondContact OD2-NE 3.2Å; D91-R93 IonicContact OD2-NH2 3.94Å; D91-R93 PolarHBondContact OD2-NH2 3.1Å; R93-F162 HydrophobicContact CB-CD1 3.77Å; R93-F162 HydrophobicContact CB-CE1 3.87Å; R93-E163 PolarHBondContact NH1-O 3.5Å; R93-E163 PolarHBondContact NH2-O 3.34Å |
| 94 | V | 96.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.8 | -48.6 | 174.6 | 179.9 | 0 | 0 | 0 | 0 | 110 | F90 D91 P92 A96 K97 Y98 I100 I126 F162 Y169 | F90-V94 HydrophobicContact CD1-CG1 4.18Å; D91-V94 HydrophobicContact CB-CG2 4.07Å; D91-V94 WeakPolarHBondContact O-CB 3.26Å; D91-V94 PolarHBondContact O-N 3.44Å; P92-V94 VanDerWaalsContact C-N 3.32Å; V94-A96 VanDerWaalsContact C-N 3.34Å; V94-A96 PolarHBondContact O-N 2.87Å; V94-K97 PolarHBondContact O-N 2.97Å; V94-Y98 HydrophobicContact CG1-CD2 4.48Å; V94-Y98 WeakPolarHBondContact O-CB 3.44Å; V94-Y98 PolarHBondContact O-N 2.89Å; V94-I100 HydrophobicContact CG1-CD1 4.4Å; V94-I126 HydrophobicContact CG1-CD1 3.64Å; V94-F162 HydrophobicContact CG2-CB 3.8Å; V94-F162 HydrophobicContact CG2-CD1 4Å; V94-F162 HydrophobicContact CG2-CD2 3.7Å; V94-F162 HydrophobicContact CG2-CE2 4.25Å; V94-F162 HydrophobicContact CG2-CG 3.56Å; V94-Y169 HydrophobicContact CG2-CD1 4.05Å; V94-Y169 HydrophobicContact CG2-CD2 4.25Å; V94-Y169 HydrophobicContact CG2-CG 3.92Å |
| 95 | T | 96.2 | Very high | 86.6 | Confident | 52 Ų | 52 | 75.3 Ų | 75.3 | 32% | 0.319 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -75.8 | -18.7 | -176.5 | 60.5 | 0 | 0 | 0 | 0 | 114.2 | F90 D91 P92 R118 | F90-T95 HydrophobicContact CB-CG2 3.51Å; F90-T95 HydrophobicContact CG-CG2 4.33Å; D91-T95 PolarHBondContact O-N 2.89Å; D91-T95 VanDerWaalsContact O-N 3.13Å; P92-T95 PolarHBondContact O-N 2.67Å; P92-T95 PolarHBondContact O-OG1 2.83Å; T95-R118 PolarHBondContact O-NE 3.36Å; T95-R118 PolarHBondContact O-NH2 3.03Å |
| 96 | A | 96.9 | Very high | 88.7 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 59% | 0.587 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -70.1 | -31.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P92 V94 R118 | P92-A96 WeakPolarHBondContact O-CB 2.94Å; P92-A96 PolarHBondContact O-N 3.01Å; V94-A96 VanDerWaalsContact C-N 3.34Å; V94-A96 PolarHBondContact O-N 2.87Å; A96-R118 WeakPolarHBondContact O-CD 3.49Å |
| 97 | K | 97.9 | Very high | 90.3 | Very high | 72 Ų | 72 | 74 Ų | 74 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -101.6 | -30.1 | -177.5 | -174.5 | 167.8 | 172.9 | -175.9 | 0 | 114 | V94 H117 R118 E160 F162 | V94-K97 PolarHBondContact O-N 2.97Å; K97-H117 VanDerWaalsContact CE-NE2 3.25Å; K97-H117 WeakPolarHBondContact CE-NE2 3.5Å; K97-H117 WeakPolarHBondContact CG-NE2 3.38Å; K97-H117 PolarHBondContact O-CD2 3.28Å; K97-R118 WeakPolarHBondContact O-CB 3.49Å; K97-R118 WeakPolarHBondContact O-CG 3.37Å; K97-R118 PolarHBondContact O-N 3.15Å; K97-E160 WeakPolarHBondContact CE-OE1 3.47Å; K97-E160 WeakPolarHBondContact CE-OE2 3.31Å; K97-E160 IonicContact NZ-OE1 2.61Å; K97-E160 PolarHBondContact NZ-OE1 2.95Å; K97-E160 IonicContact NZ-OE2 2.7Å; K97-E160 PolarHBondContact NZ-OE2 3.4Å; K97-F162 HydrophobicContact CD-CZ 4.36Å |
| 98 | Y | 98.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 67 Ų | 67 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 146.5 | -177.5 | -62.7 | -83.1 | 0 | 0 | 0 | 112.7 | V94 V115 E116 H117 R118 Y124 I126 E160 F162 V171 | V94-Y98 HydrophobicContact CG1-CD2 4.48Å; V94-Y98 WeakPolarHBondContact O-CB 3.44Å; V94-Y98 PolarHBondContact O-N 2.89Å; Y98-V115 HydrophobicContact CD1-CB 4.39Å; Y98-V115 HydrophobicContact CD1-CG2 3.6Å; Y98-V115 HydrophobicContact CE1-CG2 4.33Å; Y98-V115 HydrophobicContact CG-CG2 4.11Å; Y98-E116 WeakPolarHBondContact CA-O 3.25Å; Y98-H117 HydrophobicContact CD1-CB 4.13Å; Y98-H117 HydrophobicContact CE1-CB 3.87Å; Y98-H117 AromaticContact CE1-CD2 3.81Å; Y98-R118 PolarHBondContact O-NE 3.4Å; Y98-Y124 HydrophobicContact CD1-CD2 4.5Å; Y98-Y124 AromaticContact CE1-CD2 3.78Å; Y98-Y124 HydrophobicContact CE1-CD2 3.78Å; Y98-Y124 HydrophobicContact CE1-CE2 4.28Å; Y98-Y124 HydrophobicContact CE1-CG 4.49Å; Y98-I126 HydrophobicContact CD2-CD1 4.33Å; Y98-I126 HydrophobicContact CG-CD1 4.34Å; Y98-E160 PolarHBondContact OH-OE1 2.9Å; Y98-E160 VanDerWaalsContact OH-OE1 3.07Å; Y98-F162 HydrophobicContact CD2-CE2 4.49Å; Y98-F162 AromaticContact CE2-CE2 3.97Å; Y98-F162 HydrophobicContact CE2-CE2 3.97Å; Y98-F162 HydrophobicContact CE2-CZ 4.15Å; Y98-V171 HydrophobicContact CE1-CG1 4.06Å; Y98-V171 HydrophobicContact CE2-CG2 4Å |
| 99 | D | 97.2 | Very high | 92.8 | Very high | 71 Ų | 71 | 69 Ų | 69 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.3 | 166.3 | -174.7 | 26.5 | 0 | 0 | 0 | 109.8 | K101 V115 E116 R118 | D99-K101 WeakPolarHBondContact OD2-CE 3.49Å; D99-K101 IonicContact OD2-NZ 2.89Å; D99-K101 PolarHBondContact OD2-NZ 3.02Å; D99-V115 CarbonylContact O-C 3.28Å; D99-V115 VanDerWaalsContact O-CA 3.28Å; D99-V115 WeakPolarHBondContact O-CA 3.47Å; D99-V115 WeakPolarHBondContact O-CB 3.5Å; D99-E116 PolarHBondContact N-O 2.87Å; D99-E116 PolarHBondContact O-N 3.13Å; D99-R118 HydrophobicContact CB-CG 4.47Å |
| 100 | I | 96.3 | Very high | 93.2 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 21% | 0.205 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 119.1 | -171.6 | -50.1 | -57.4 | 0 | 0 | 0 | 109.5 | F90 V94 V113 V115 | F90-I100 HydrophobicContact CD1-CD1 3.94Å; F90-I100 HydrophobicContact CD1-CG1 4.31Å; F90-I100 HydrophobicContact CD2-CG1 4.16Å; F90-I100 HydrophobicContact CE1-CD1 3.81Å; F90-I100 HydrophobicContact CE1-CG1 4.26Å; F90-I100 HydrophobicContact CE1-CG2 4.36Å; F90-I100 HydrophobicContact CE2-CB 4.47Å; F90-I100 HydrophobicContact CE2-CG1 4.13Å; F90-I100 HydrophobicContact CE2-CG2 3.75Å; F90-I100 HydrophobicContact CG-CD1 4.38Å; F90-I100 HydrophobicContact CG-CG1 4.28Å; F90-I100 HydrophobicContact CZ-CD1 4.16Å; F90-I100 HydrophobicContact CZ-CG1 4.19Å; F90-I100 HydrophobicContact CZ-CG2 3.64Å; V94-I100 HydrophobicContact CG1-CD1 4.4Å; I100-V113 HydrophobicContact CG2-CB 4.45Å; I100-V113 HydrophobicContact CG2-CG2 4.35Å; I100-V115 HydrophobicContact CD1-CB 4.42Å; I100-V115 HydrophobicContact CD1-CG1 3.54Å |
| 101 | K | 95.7 | Very high | 93.4 | Very high | 68 Ų | 68 | 63.6 Ų | 63.6 | 30% | 0.296 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -67.7 | -171.8 | -51.5 | -58.3 | -174.6 | 166.9 | 0 | 113.1 | D99 R114 E116 | D99-K101 WeakPolarHBondContact OD2-CE 3.49Å; D99-K101 IonicContact OD2-NZ 2.89Å; D99-K101 PolarHBondContact OD2-NZ 3.02Å; K101-R114 HydrophobicContact CB-CG 4.42Å; K101-R114 WeakPolarHBondContact CB-O 3.42Å; K101-R114 PolarHBondContact N-O 2.8Å; K101-E116 WeakPolarHBondContact CE-OE2 3.31Å; K101-E116 IonicContact NZ-OE2 2.8Å; K101-E116 PolarHBondContact NZ-OE2 2.96Å |
| 102 | A | 94.9 | Very high | 93.4 | Very high | 41 Ų | 41 | 64.1 Ų | 64.1 | 34% | 0.339 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 150.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V113 R114 | A102-V113 CarbonylContact O-C 3.56Å; A102-V113 WeakPolarHBondContact O-CA 3.46Å; A102-V113 WeakPolarHBondContact O-CB 3.23Å; A102-R114 PolarHBondContact N-O 3.21Å; A102-R114 PolarHBondContact O-N 3.23Å |
| 103 | L | 94.6 | Very high | 93.5 | Very high | 51 Ų | 51 | 59.5 Ų | 59.5 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 130.9 | 165.6 | -175.6 | 78.3 | 0 | 0 | 0 | 109.2 | Y86 G105 R106 R111 V112 V113 | Y86-L103 HydrophobicContact CD2-CB 4.31Å; Y86-L103 HydrophobicContact CE2-CB 4Å; Y86-L103 HydrophobicContact CE2-CD1 3.98Å; Y86-L103 HydrophobicContact CE2-CD2 4.29Å; Y86-L103 HydrophobicContact CE2-CG 4.33Å; L103-G105 WeakPolarHBondContact CD1-O 3.39Å; L103-R106 HydrophobicContact CD2-CG 3.86Å; L103-R106 VanDerWaalsContact CD2-NE 3.3Å; L103-R111 HydrophobicContact CD1-CB 4.26Å; L103-V112 WeakPolarHBondContact CD1-O 3.19Å; L103-V113 HydrophobicContact CD1-CG1 4.05Å |
| 104 | I | 92.4 | Very high | 93.6 | Very high | 87 Ų | 87 | 59.3 Ų | 59.3 | 45% | 0.446 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | -9.7 | 178.8 | 63.8 | 175.3 | 0 | 0 | 0 | 113.5 | V112 R114 A125 L174 | I104-V112 HydrophobicContact CD1-CG1 3.88Å; I104-V112 HydrophobicContact CG1-CB 4.02Å; I104-V112 HydrophobicContact CG1-CG1 3.71Å; I104-V112 PolarHBondContact N-O 2.95Å; I104-R114 HydrophobicContact CD1-CB 4.3Å; I104-R114 HydrophobicContact CG2-CB 3.87Å; I104-A125 HydrophobicContact CD1-CB 4.4Å; I104-L174 HydrophobicContact CD1-CD1 3.66Å |
| 105 | G | 89.4 | Confident | 93.6 | Very high | 25 Ų | 25 | 59.3 Ų | 59.3 | 26% | 0.258 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 156.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L103 V112 | L103-G105 WeakPolarHBondContact CD1-O 3.39Å; G105-V112 PolarHBondContact N-O 3.04Å; G105-V112 VanDerWaalsContact N-O 3.1Å; G105-V112 PolarHBondContact O-N 3.01Å |
| 106 | R | 90.7 | Very high | 93.7 | Very high | 191 Ų | 191 | 58.6 Ų | 58.6 | 72% | 0.721 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 133.8 | 173.1 | -58.7 | -173.5 | -170.6 | -158.3 | 3.9 | 110.1 | L103 | L103-R106 HydrophobicContact CD2-CG 3.86Å; L103-R106 VanDerWaalsContact CD2-NE 3.3Å |
| 107 | G | 84.5 | Confident | 93.8 | Very high | 41 Ų | 41 | 56.7 Ų | 56.7 | 42% | 0.423 | 29% | 0.292 | S | S | . | . | trans | -121.4 | -178.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F109 S110 | G107-F109 VanDerWaalsContact C-N 3.3Å; G107-F109 PolarHBondContact O-N 2.84Å; G107-S110 PolarHBondContact N-O 2.68Å; G107-S110 PolarHBondContact O-N 2.85Å; G107-S110 VanDerWaalsContact O-O 3.11Å | ||
| 108 | S | 83.4 | Confident | 93.8 | Very high | 103 Ų | 103 | 59.8 Ų | 59.8 | 72% | 0.72 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -58.7 | -37.8 | -174.4 | -44.2 | 0 | 0 | 0 | 0 | 114 | ||
| 109 | F | 85.6 | Confident | 93.7 | Very high | 73 Ų | 73 | 63.8 Ų | 63.8 | 32% | 0.32 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -123.2 | 6.6 | 180 | -52.3 | -69 | 0 | 0 | 0 | 112.5 | G107 I129 E130 Y133 E135 | G107-F109 VanDerWaalsContact C-N 3.3Å; G107-F109 PolarHBondContact O-N 2.84Å; F109-I129 HydrophobicContact CB-CG2 4.48Å; F109-I129 WeakPolarHBondContact O-CA 3.43Å; F109-E130 PolarHBondContact O-N 3.11Å; F109-Y133 AromaticContact CD1-CD2 3.95Å; F109-Y133 HydrophobicContact CD1-CD2 3.95Å; F109-Y133 HydrophobicContact CE1-CD2 4.19Å; F109-Y133 HydrophobicContact CE1-CG 4.47Å; F109-E135 HydrophobicContact CD2-CB 4.28Å; F109-E135 HydrophobicContact CE2-CB 3.56Å; F109-E135 HydrophobicContact CE2-CG 4.44Å; F109-E135 HydrophobicContact CZ-CB 3.75Å; F109-E135 HydrophobicContact CZ-CG 4.29Å |
| 110 | S | 91.6 | Very high | 93.8 | Very high | 20 Ų | 20 | 64.5 Ų | 64.5 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 150.8 | -165.7 | 63.7 | 0 | 0 | 0 | 0 | 113.1 | G107 M128 | G107-S110 PolarHBondContact N-O 2.68Å; G107-S110 PolarHBondContact O-N 2.85Å; G107-S110 VanDerWaalsContact O-O 3.11Å; S110-M128 CarbonylContact C-O 3.56Å; S110-M128 WeakPolarHBondContact CA-O 3.19Å; S110-M128 WeakPolarHBondContact CB-O 3.43Å |
| 111 | R | 93.4 | Very high | 93.8 | Very high | 84 Ų | 84 | 69.8 Ų | 69.8 | 32% | 0.317 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 124 | -178.8 | -56.8 | 176.8 | 76.4 | 169.3 | 3.5 | 109.1 | Y86 L103 M128 | Y86-R111 PolarHBondContact OH-NE 3.22Å; Y86-R111 PolarHBondContact OH-NH2 2.79Å; Y86-R111 VanDerWaalsContact OH-NH2 3.15Å; L103-R111 HydrophobicContact CD1-CB 4.26Å; R111-M128 HydrophobicContact CB-CE 3.86Å; R111-M128 PolarHBondContact N-O 3.29Å; R111-M128 PolarHBondContact O-N 3.15Å |
| 112 | V | 95.4 | Very high | 93.9 | Very high | 33 Ų | 33 | 70.5 Ų | 70.5 | 20% | 0.2 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.2 | -179.3 | -166.3 | 0 | 0 | 0 | 0 | 109.3 | L103 I104 G105 A125 I126 K127 | L103-V112 WeakPolarHBondContact CD1-O 3.19Å; I104-V112 HydrophobicContact CD1-CG1 3.88Å; I104-V112 HydrophobicContact CG1-CB 4.02Å; I104-V112 HydrophobicContact CG1-CG1 3.71Å; I104-V112 PolarHBondContact N-O 2.95Å; G105-V112 PolarHBondContact N-O 3.04Å; G105-V112 VanDerWaalsContact N-O 3.1Å; G105-V112 PolarHBondContact O-N 3.01Å; V112-A125 HydrophobicContact CG1-CB 4.14Å; V112-I126 WeakPolarHBondContact CA-O 3.36Å; V112-K127 HydrophobicContact CG2-CB 4.28Å; V112-K127 HydrophobicContact CG2-CG 4.1Å |
| 113 | V | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.3 | 174.8 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | Y86 F90 I100 A102 L103 V115 A125 I126 M128 | Y86-V113 HydrophobicContact CE1-CG1 3.99Å; F90-V113 HydrophobicContact CE1-CG2 3.84Å; F90-V113 HydrophobicContact CZ-CG1 4.11Å; F90-V113 HydrophobicContact CZ-CG2 3.81Å; I100-V113 HydrophobicContact CG2-CB 4.45Å; I100-V113 HydrophobicContact CG2-CG2 4.35Å; A102-V113 CarbonylContact O-C 3.56Å; A102-V113 WeakPolarHBondContact O-CA 3.46Å; A102-V113 WeakPolarHBondContact O-CB 3.23Å; L103-V113 HydrophobicContact CD1-CG1 4.05Å; V113-V115 HydrophobicContact CG2-CG1 3.84Å; V113-A125 CarbonylContact O-C 3.53Å; V113-A125 WeakPolarHBondContact O-CA 3.39Å; V113-I126 HydrophobicContact CG2-CB 3.96Å; V113-I126 PolarHBondContact N-O 3.28Å; V113-I126 PolarHBondContact O-N 2.84Å; V113-M128 HydrophobicContact CG1-CE 4.23Å |
| 114 | R | 97.4 | Very high | 94.2 | Very high | 119 Ų | 119 | 70.5 Ų | 70.5 | 45% | 0.449 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 131.9 | 163.9 | 178.8 | 173.9 | 178.1 | -179.2 | -0.6 | 108.8 | K101 A102 I104 L174 | K101-R114 HydrophobicContact CB-CG 4.42Å; K101-R114 WeakPolarHBondContact CB-O 3.42Å; K101-R114 PolarHBondContact N-O 2.8Å; A102-R114 PolarHBondContact N-O 3.21Å; A102-R114 PolarHBondContact O-N 3.23Å; I104-R114 HydrophobicContact CD1-CB 4.3Å; I104-R114 HydrophobicContact CG2-CB 3.87Å; R114-L174 HydrophobicContact CG-CD1 4.4Å; R114-L174 HydrophobicContact CG-CD2 3.85Å |
| 115 | V | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 170.7 | 175.8 | -51.2 | 0 | 0 | 0 | 0 | 110.7 | Y98 D99 I100 V113 P123 Y124 I126 | Y98-V115 HydrophobicContact CD1-CB 4.39Å; Y98-V115 HydrophobicContact CD1-CG2 3.6Å; Y98-V115 HydrophobicContact CE1-CG2 4.33Å; Y98-V115 HydrophobicContact CG-CG2 4.11Å; D99-V115 CarbonylContact O-C 3.28Å; D99-V115 VanDerWaalsContact O-CA 3.28Å; D99-V115 WeakPolarHBondContact O-CA 3.47Å; D99-V115 WeakPolarHBondContact O-CB 3.5Å; I100-V115 HydrophobicContact CD1-CB 4.42Å; I100-V115 HydrophobicContact CD1-CG1 3.54Å; V113-V115 HydrophobicContact CG2-CG1 3.84Å; V115-P123 WeakPolarHBondContact O-CA 3.42Å; V115-Y124 PolarHBondContact N-O 3.28Å; V115-Y124 PolarHBondContact O-N 3.48Å; V115-I126 HydrophobicContact CB-CD1 4.43Å; V115-I126 HydrophobicContact CB-CG1 4.44Å; V115-I126 HydrophobicContact CG1-CB 4.34Å; V115-I126 HydrophobicContact CG1-CD1 3.78Å; V115-I126 HydrophobicContact CG1-CG1 3.77Å; V115-I126 HydrophobicContact CG2-CD1 3.98Å; V115-I126 HydrophobicContact CG2-CG1 3.77Å |
| 116 | E | 98.1 | Very high | 94.9 | Very high | 38 Ų | 38 | 65.5 Ų | 65.5 | 18% | 0.178 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 131 | 173.8 | -164.8 | -177.2 | 170.7 | 0 | 0 | 108.8 | Y98 D99 K101 R118 R121 | Y98-E116 WeakPolarHBondContact CA-O 3.25Å; D99-E116 PolarHBondContact N-O 2.87Å; D99-E116 PolarHBondContact O-N 3.13Å; K101-E116 WeakPolarHBondContact CE-OE2 3.31Å; K101-E116 IonicContact NZ-OE2 2.8Å; K101-E116 PolarHBondContact NZ-OE2 2.96Å; E116-R118 PolarHBondContact O-N 3.05Å; E116-R121 VanDerWaalsContact CG-O 3.26Å; E116-R121 WeakPolarHBondContact CG-O 3.46Å; E116-R121 WeakPolarHBondContact OE1-CB 3.46Å; E116-R121 IonicContact OE1-CZ 3.14Å; E116-R121 IonicContact OE1-NE 2.7Å; E116-R121 PolarHBondContact OE1-NE 2.79Å; E116-R121 IonicContact OE1-NH2 2.77Å; E116-R121 PolarHBondContact OE1-NH2 3.31Å; E116-R121 IonicContact OE2-CZ 3.85Å; E116-R121 IonicContact OE2-NH2 3Å; E116-R121 PolarHBondContact OE2-NH2 3.28Å |
| 117 | H | 98.2 | Very high | 95.2 | Very high | 31 Ų | 31 | 56.8 Ų | 56.8 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 124.7 | 178.1 | -177.7 | -121.1 | 0 | 0 | 0 | 110.1 | K97 Y98 A119 T120 R121 Q122 Y124 | K97-H117 VanDerWaalsContact CE-NE2 3.25Å; K97-H117 WeakPolarHBondContact CE-NE2 3.5Å; K97-H117 WeakPolarHBondContact CG-NE2 3.38Å; K97-H117 PolarHBondContact O-CD2 3.28Å; Y98-H117 HydrophobicContact CD1-CB 4.13Å; Y98-H117 HydrophobicContact CE1-CB 3.87Å; Y98-H117 AromaticContact CE1-CD2 3.81Å; H117-A119 PolarHBondContact O-N 3.26Å; H117-T120 PolarHBondContact ND1-OG1 2.82Å; H117-R121 VanDerWaalsContact O-CA 3.29Å; H117-R121 WeakPolarHBondContact O-CA 3.35Å; H117-R121 PolarHBondContact O-N 2.73Å; H117-Q122 PolarHBondContact N-O 3.05Å; H117-Y124 HydrophobicContact CB-CD2 4.11Å; H117-Y124 HydrophobicContact CB-CE2 3.81Å |
| 118 | R | 97.9 | Very high | 95.7 | Very high | 136 Ų | 136 | 55.6 Ų | 55.6 | 51% | 0.513 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -41.8 | -167.3 | -77.8 | 167 | 167.6 | -106.1 | 10.2 | 113.7 | T95 A96 K97 Y98 D99 E116 | T95-R118 PolarHBondContact O-NE 3.36Å; T95-R118 PolarHBondContact O-NH2 3.03Å; A96-R118 WeakPolarHBondContact O-CD 3.49Å; K97-R118 WeakPolarHBondContact O-CB 3.49Å; K97-R118 WeakPolarHBondContact O-CG 3.37Å; K97-R118 PolarHBondContact O-N 3.15Å; Y98-R118 PolarHBondContact O-NE 3.4Å; D99-R118 HydrophobicContact CB-CG 4.47Å; E116-R118 PolarHBondContact O-N 3.05Å |
| 119 | A | 97.3 | Very high | 96.2 | Very high | 87 Ų | 87 | 50.8 Ų | 50.8 | 72% | 0.719 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -39.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | H117 | H117-A119 PolarHBondContact O-N 3.26Š|
| 120 | T | 97.7 | Very high | 96.6 | Very high | 87 Ų | 87 | 49.8 Ų | 49.8 | 53% | 0.534 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -5.3 | -173.8 | 62.9 | 0 | 0 | 0 | 0 | 114.2 | H117 Q122 | H117-T120 PolarHBondContact ND1-OG1 2.82Å; T120-Q122 PolarHBondContact O-N 2.96Å; T120-Q122 WeakPolarHBondContact OG1-CB 3.28Å |
| 121 | R | 97.5 | Very high | 96.7 | Very high | 150 Ų | 150 | 49.4 Ų | 49.4 | 57% | 0.566 | 24% | 0.237 | S | C | * | . | trans | 58.9 | 8.9 | -173.7 | -49.7 | -52.8 | -54.6 | -145.5 | -3.3 | 114.9 | E116 H117 | E116-R121 VanDerWaalsContact CG-O 3.26Å; E116-R121 WeakPolarHBondContact CG-O 3.46Å; E116-R121 WeakPolarHBondContact OE1-CB 3.46Å; E116-R121 IonicContact OE1-CZ 3.14Å; E116-R121 IonicContact OE1-NE 2.7Å; E116-R121 PolarHBondContact OE1-NE 2.79Å; E116-R121 IonicContact OE1-NH2 2.77Å; E116-R121 PolarHBondContact OE1-NH2 3.31Å; E116-R121 IonicContact OE2-CZ 3.85Å; E116-R121 IonicContact OE2-NH2 3Å; E116-R121 PolarHBondContact OE2-NH2 3.28Å; H117-R121 VanDerWaalsContact O-CA 3.29Å; H117-R121 WeakPolarHBondContact O-CA 3.35Å; H117-R121 PolarHBondContact O-N 2.73Å | ||
| 122 | Q | 97.4 | Very high | 96.5 | Very high | 84 Ų | 84 | 49.5 Ų | 49.5 | 39% | 0.393 | 24% | 0.24 | S | C | . | . | trans | -68.2 | 128.2 | -179.3 | -177 | 63.2 | 25.2 | 0 | 0 | 110.9 | H117 T120 Y124 | H117-Q122 PolarHBondContact N-O 3.05Å; T120-Q122 PolarHBondContact O-N 2.96Å; T120-Q122 WeakPolarHBondContact OG1-CB 3.28Å; Q122-Y124 HydrophobicContact CB-CD2 4.47Å; Q122-Y124 HydrophobicContact CB-CE2 3.71Å; Q122-Y124 HydrophobicContact CG-CD2 4.26Å; Q122-Y124 HydrophobicContact CG-CE1 4.17Å; Q122-Y124 HydrophobicContact CG-CE2 3.52Å; Q122-Y124 VanDerWaalsContact CG-CZ 3.47Å; Q122-Y124 WeakPolarHBondContact CG-OH 3.42Å; Q122-Y124 VanDerWaalsContact O-CD2 3.31Å; Q122-Y124 WeakPolarHBondContact O-CD2 3.29Å | ||
| 123 | P | 97.5 | Very high | 96.2 | Very high | 45 Ų | 45 | 53.1 Ų | 53.1 | 29% | 0.292 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 142.9 | 175.9 | 30.8 | -35.9 | 0 | 0 | 0 | 112.4 | V115 L174 | V115-P123 WeakPolarHBondContact O-CA 3.42Å; P123-L174 HydrophobicContact CB-CD2 3.9Å |
| 124 | Y | 98.3 | Very high | 95.8 | Very high | 46 Ų | 46 | 61.5 Ų | 61.5 | 18% | 0.18 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 166.4 | 178.1 | -66.6 | -76.6 | 0 | 0 | 0 | 111.2 | Y98 V115 H117 Q122 V159 V171 M172 | Y98-Y124 HydrophobicContact CD1-CD2 4.5Å; Y98-Y124 AromaticContact CE1-CD2 3.78Å; Y98-Y124 HydrophobicContact CE1-CD2 3.78Å; Y98-Y124 HydrophobicContact CE1-CE2 4.28Å; Y98-Y124 HydrophobicContact CE1-CG 4.49Å; V115-Y124 PolarHBondContact N-O 3.28Å; V115-Y124 PolarHBondContact O-N 3.48Å; H117-Y124 HydrophobicContact CB-CD2 4.11Å; H117-Y124 HydrophobicContact CB-CE2 3.81Å; Q122-Y124 HydrophobicContact CB-CD2 4.47Å; Q122-Y124 HydrophobicContact CB-CE2 3.71Å; Q122-Y124 HydrophobicContact CG-CD2 4.26Å; Q122-Y124 HydrophobicContact CG-CE1 4.17Å; Q122-Y124 HydrophobicContact CG-CE2 3.52Å; Q122-Y124 VanDerWaalsContact CG-CZ 3.47Å; Q122-Y124 WeakPolarHBondContact CG-OH 3.42Å; Q122-Y124 VanDerWaalsContact O-CD2 3.31Å; Q122-Y124 WeakPolarHBondContact O-CD2 3.29Å; Y124-V159 HydrophobicContact CD1-CG2 3.95Å; Y124-V159 HydrophobicContact CE1-CG1 4.23Å; Y124-V159 HydrophobicContact CE1-CG2 3.72Å; Y124-V171 HydrophobicContact CD1-CG1 4.38Å; Y124-V171 HydrophobicContact CG-CG1 4.11Å; Y124-M172 WeakPolarHBondContact CB-O 3.42Å; Y124-M172 WeakPolarHBondContact CD1-O 3.43Å |
| 125 | A | 98 | Very high | 95.3 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 146.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | I104 V112 V113 V171 M172 L174 | I104-A125 HydrophobicContact CD1-CB 4.4Å; V112-A125 HydrophobicContact CG1-CB 4.14Å; V113-A125 CarbonylContact O-C 3.53Å; V113-A125 WeakPolarHBondContact O-CA 3.39Å; A125-V171 WeakPolarHBondContact O-CA 3.28Å; A125-M172 PolarHBondContact N-O 3.39Å; A125-M172 PolarHBondContact O-N 3.43Å; A125-L174 HydrophobicContact CB-CD1 3.95Å |
| 126 | I | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 114.3 | 163.7 | -58.3 | -171.8 | 0 | 0 | 0 | 109.2 | V94 Y98 V112 V113 V115 M128 Y169 M170 V171 | V94-I126 HydrophobicContact CG1-CD1 3.64Å; Y98-I126 HydrophobicContact CD2-CD1 4.33Å; Y98-I126 HydrophobicContact CG-CD1 4.34Å; V112-I126 WeakPolarHBondContact CA-O 3.36Å; V113-I126 HydrophobicContact CG2-CB 3.96Å; V113-I126 PolarHBondContact N-O 3.28Å; V113-I126 PolarHBondContact O-N 2.84Å; V115-I126 HydrophobicContact CB-CD1 4.43Å; V115-I126 HydrophobicContact CB-CG1 4.44Å; V115-I126 HydrophobicContact CG1-CB 4.34Å; V115-I126 HydrophobicContact CG1-CD1 3.78Å; V115-I126 HydrophobicContact CG1-CG1 3.77Å; V115-I126 HydrophobicContact CG2-CD1 3.98Å; V115-I126 HydrophobicContact CG2-CG1 3.77Å; I126-M128 HydrophobicContact CG2-CG 4.13Å; I126-Y169 HydrophobicContact CG2-CD1 4.31Å; I126-M170 CarbonylContact C-O 3.57Å; I126-M170 VanDerWaalsContact CA-O 3.28Å; I126-M170 WeakPolarHBondContact CA-O 3.47Å; I126-V171 HydrophobicContact CD1-CG2 4.03Å; I126-V171 HydrophobicContact CG1-CB 4.47Å; I126-V171 HydrophobicContact CG1-CG1 4.37Å; I126-V171 HydrophobicContact CG1-CG2 4.06Å |
| 127 | K | 96.8 | Very high | 94.4 | Very high | 8 Ų | 8 | 64.6 Ų | 64.6 | 4% | 0.035 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 109.2 | 167 | -171.9 | 178.5 | -160.7 | -169.8 | 0 | 107.7 | V112 I129 E143 M170 M172 D239 | V112-K127 HydrophobicContact CG2-CB 4.28Å; V112-K127 HydrophobicContact CG2-CG 4.1Å; K127-I129 HydrophobicContact CD-CD1 4.42Å; K127-I129 HydrophobicContact CG-CG1 4.27Å; K127-E143 WeakPolarHBondContact CD-OE2 3.27Å; K127-E143 WeakPolarHBondContact CE-OE2 3.47Å; K127-E143 IonicContact NZ-OE1 3.22Å; K127-E143 PolarHBondContact NZ-OE1 3.42Å; K127-E143 IonicContact NZ-OE2 2.78Å; K127-E143 PolarHBondContact NZ-OE2 3.35Å; K127-M170 HydrophobicContact CB-CB 4.5Å; K127-M170 PolarHBondContact N-O 2.93Å; K127-M170 PolarHBondContact O-N 2.82Å; K127-M172 HydrophobicContact CB-CE 3.51Å; K127-M172 HydrophobicContact CD-CE 4.29Å; K127-D239 IonicContact NZ-OD1 2.73Å; K127-D239 PolarHBondContact NZ-OD1 3.29Å; K127-D239 IonicContact NZ-OD2 2.8Å; K127-D239 PolarHBondContact NZ-OD2 3.06Å |
| 128 | M | 95.5 | Very high | 93.9 | Very high | 16 Ų | 16 | 67.7 Ų | 67.7 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 137.5 | 170.3 | -56.4 | -175.1 | -71.5 | 0 | 0 | 108.9 | F90 S110 R111 V113 I126 V168 Y169 | F90-M128 HydrophobicContact CD1-SD 3.78Å; F90-M128 HydrophobicContact CE1-CE 3.98Å; F90-M128 HydrophobicContact CE1-CG 4.29Å; F90-M128 HydrophobicContact CE1-SD 3.24Å; F90-M128 WeakPolarHBondContact CE1-SD 3.07Å; F90-M128 HydrophobicContact CE2-SD 4.48Å; F90-M128 HydrophobicContact CZ-CE 3.77Å; F90-M128 HydrophobicContact CZ-SD 3.63Å; S110-M128 CarbonylContact C-O 3.56Å; S110-M128 WeakPolarHBondContact CA-O 3.19Å; S110-M128 WeakPolarHBondContact CB-O 3.43Å; R111-M128 HydrophobicContact CB-CE 3.86Å; R111-M128 PolarHBondContact N-O 3.29Å; R111-M128 PolarHBondContact O-N 3.15Å; V113-M128 HydrophobicContact CG1-CE 4.23Å; I126-M128 HydrophobicContact CG2-CG 4.13Å; M128-V168 CarbonylContact C-O 3.59Å; M128-V168 WeakPolarHBondContact CA-O 3.28Å; M128-Y169 HydrophobicContact CB-CD1 4.49Å; M128-Y169 HydrophobicContact CG-CD1 3.61Å; M128-Y169 HydrophobicContact CG-CE1 3.96Å; M128-Y169 HydrophobicContact SD-CD1 3.89Å; M128-Y169 HydrophobicContact SD-CE1 3.67Å |
| 129 | I | 94.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.8 | 172.3 | -50 | -171.1 | 0 | 0 | 0 | 109.6 | F109 K127 G136 V139 C140 R167 V168 M170 | F109-I129 HydrophobicContact CB-CG2 4.48Å; F109-I129 WeakPolarHBondContact O-CA 3.43Å; K127-I129 HydrophobicContact CD-CD1 4.42Å; K127-I129 HydrophobicContact CG-CG1 4.27Å; I129-G136 WeakPolarHBondContact CG2-O 3.34Å; I129-V139 HydrophobicContact CD1-CG1 4.45Å; I129-C140 HydrophobicContact CB-CB 4.4Å; I129-C140 HydrophobicContact CD1-CB 4.11Å; I129-C140 HydrophobicContact CG2-CB 4.18Å; I129-R167 VanDerWaalsContact O-CA 3.27Å; I129-R167 WeakPolarHBondContact O-CA 3.39Å; I129-V168 PolarHBondContact N-O 2.83Å; I129-V168 PolarHBondContact O-N 3.32Å; I129-M170 HydrophobicContact CD1-CE 3.56Å; I129-M170 HydrophobicContact CG1-CE 4.28Å |
| 130 | E | 93.1 | Very high | 93.2 | Very high | 53 Ų | 53 | 59.1 Ų | 59.1 | 25% | 0.248 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 106.7 | 175.8 | -59.7 | -167 | 169.8 | 0 | 0 | 110.7 | F109 K132 E166 | F109-E130 PolarHBondContact O-N 3.11Å; E130-K132 HydrophobicContact CB-CG 4.31Å; E130-K132 WeakPolarHBondContact OE2-CE 3.09Å; E130-K132 IonicContact OE2-NZ 3.66Å; E130-K132 PolarHBondContact OE2-NZ 3.29Å; E130-E166 CarbonylContact C-O 3.53Å; E130-E166 WeakPolarHBondContact CA-O 3.27Å |
| 131 | T | 92.9 | Very high | 92.9 | Very high | 12 Ų | 12 | 59.7 Ų | 59.7 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 2.6 | -173.7 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | Y133 R137 C140 E166 R167 V168 | T131-Y133 PolarHBondContact O-N 2.77Å; T131-R137 PolarHBondContact O-NE 3.08Å; T131-R137 PolarHBondContact O-NH2 3.4Å; T131-C140 HydrophobicContact CG2-CB 3.97Å; T131-E166 PolarHBondContact N-O 3.47Å; T131-E166 PolarHBondContact OG1-O 3.21Å; T131-R167 PolarHBondContact OG1-N 3.01Å; T131-V168 HydrophobicContact CG2-CB 4.47Å; T131-V168 HydrophobicContact CG2-CG2 3.94Å |
| 132 | K | 89.7 | Confident | 92.6 | Very high | 85 Ų | 85 | 53.5 Ų | 53.5 | 37% | 0.37 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -31.6 | 164.4 | 48.9 | 159.7 | 172.1 | 162.9 | 0 | 112.9 | E130 E166 | E130-K132 HydrophobicContact CB-CG 4.31Å; E130-K132 WeakPolarHBondContact OE2-CE 3.09Å; E130-K132 IonicContact OE2-NZ 3.66Å; E130-K132 PolarHBondContact OE2-NZ 3.29Å; K132-E166 HydrophobicContact CB-CB 4.38Å; K132-E166 HydrophobicContact CB-CG 4.43Å; K132-E166 PolarHBondContact N-O 3.27Å |
| 133 | Y | 88.9 | Confident | 92.4 | Very high | 110 Ų | 110 | 49.6 Ų | 49.6 | 43% | 0.431 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -91 | 146.6 | 173.6 | -55.9 | -60.8 | 0 | 0 | 0 | 110.3 | F109 T131 E135 G136 R137 | F109-Y133 AromaticContact CD1-CD2 3.95Å; F109-Y133 HydrophobicContact CD1-CD2 3.95Å; F109-Y133 HydrophobicContact CE1-CD2 4.19Å; F109-Y133 HydrophobicContact CE1-CG 4.47Å; T131-Y133 PolarHBondContact O-N 2.77Å; Y133-E135 PolarHBondContact O-N 3.14Å; Y133-G136 PolarHBondContact O-N 3.16Å; Y133-R137 PolarHBondContact O-N 3.31Å |
| 134 | R | 88.6 | Confident | 92.3 | Very high | 175 Ų | 175 | 47.9 Ų | 47.9 | 66% | 0.66 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.3 | -45.4 | -176.5 | 178.5 | -180 | 168.6 | 175.6 | -4 | 111.2 | G136 R137 E138 | R134-G136 PolarHBondContact O-N 2.74Å; R134-R137 WeakPolarHBondContact O-CB 3.42Å; R134-R137 PolarHBondContact O-N 2.83Å; R134-R137 VanDerWaalsContact O-N 3.14Å; R134-E138 HydrophobicContact CG-CG 4.45Å; R134-E138 IonicContact CZ-OE1 3.16Å; R134-E138 IonicContact NE-OE1 3.79Å; R134-E138 PolarHBondContact NE-OE1 3.44Å; R134-E138 IonicContact NH2-OE1 2.67Å; R134-E138 PolarHBondContact NH2-OE1 3.16Å; R134-E138 WeakPolarHBondContact O-CG 3.49Å; R134-E138 PolarHBondContact O-N 3.36Å |
| 135 | E | 87.1 | Confident | 92 | Very high | 102 Ų | 102 | 51.4 Ų | 51.4 | 48% | 0.477 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.4 | -42.2 | -179.3 | -56.1 | 80 | 179.5 | 0 | 0 | 111 | F109 Y133 R137 E138 V139 | F109-E135 HydrophobicContact CD2-CB 4.28Å; F109-E135 HydrophobicContact CE2-CB 3.56Å; F109-E135 HydrophobicContact CE2-CG 4.44Å; F109-E135 HydrophobicContact CZ-CB 3.75Å; F109-E135 HydrophobicContact CZ-CG 4.29Å; Y133-E135 PolarHBondContact O-N 3.14Å; E135-R137 VanDerWaalsContact C-N 3.31Å; E135-R137 PolarHBondContact O-N 3.15Å; E135-E138 PolarHBondContact O-N 2.79Å; E135-V139 WeakPolarHBondContact O-CB 3.35Å; E135-V139 VanDerWaalsContact O-CG2 3.29Å; E135-V139 WeakPolarHBondContact O-CG2 3.36Å; E135-V139 PolarHBondContact O-N 3.15Å |
| 136 | G | 86.6 | Confident | 91.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -35.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I129 Y133 R134 C140 | I129-G136 WeakPolarHBondContact CG2-O 3.34Å; Y133-G136 PolarHBondContact O-N 3.16Å; R134-G136 PolarHBondContact O-N 2.74Å; G136-C140 WeakPolarHBondContact O-CB 3.31Å; G136-C140 PolarHBondContact O-N 3.03Å |
| 137 | R | 90.8 | Very high | 91.8 | Very high | 120 Ų | 120 | 51.2 Ų | 51.2 | 45% | 0.453 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -70.5 | -48.7 | 174.5 | -167.3 | -179.4 | -54.2 | 162.9 | 8 | 112.4 | T131 Y133 R134 E135 V139 C140 E141 | T131-R137 PolarHBondContact O-NE 3.08Å; T131-R137 PolarHBondContact O-NH2 3.4Å; Y133-R137 PolarHBondContact O-N 3.31Å; R134-R137 WeakPolarHBondContact O-CB 3.42Å; R134-R137 PolarHBondContact O-N 2.83Å; R134-R137 VanDerWaalsContact O-N 3.14Å; E135-R137 VanDerWaalsContact C-N 3.31Å; E135-R137 PolarHBondContact O-N 3.15Å; R137-V139 VanDerWaalsContact C-N 3.34Å; R137-V139 PolarHBondContact O-N 3.01Å; R137-C140 WeakPolarHBondContact O-CB 3.23Å; R137-C140 PolarHBondContact O-N 3.06Å; R137-C140 VanDerWaalsContact O-N 3.14Å; R137-E141 WeakPolarHBondContact O-CB 3.48Å; R137-E141 WeakPolarHBondContact O-CG 3.25Å; R137-E141 PolarHBondContact O-N 3.46Å |
| 138 | E | 89 | Confident | 91.8 | Very high | 96 Ų | 96 | 58.3 Ų | 58.3 | 45% | 0.449 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60 | -42.1 | 179 | -72.2 | 177.3 | 175.2 | 0 | 0 | 111.8 | R134 E135 S142 | R134-E138 HydrophobicContact CG-CG 4.45Å; R134-E138 IonicContact CZ-OE1 3.16Å; R134-E138 IonicContact NE-OE1 3.79Å; R134-E138 PolarHBondContact NE-OE1 3.44Å; R134-E138 IonicContact NH2-OE1 2.67Å; R134-E138 PolarHBondContact NH2-OE1 3.16Å; R134-E138 WeakPolarHBondContact O-CG 3.49Å; R134-E138 PolarHBondContact O-N 3.36Å; E135-E138 PolarHBondContact O-N 2.79Å; E138-S142 PolarHBondContact O-N 3.46Å; E138-S142 VanDerWaalsContact O-N 3.1Å |
| 139 | V | 87.3 | Confident | 91.7 | Very high | 40 Ų | 40 | 62.6 Ų | 62.6 | 24% | 0.242 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 172.3 | 168.2 | 0 | 0 | 0 | 0 | 111.4 | I129 E135 R137 E141 S142 E143 | I129-V139 HydrophobicContact CD1-CG1 4.45Å; E135-V139 WeakPolarHBondContact O-CB 3.35Å; E135-V139 VanDerWaalsContact O-CG2 3.29Å; E135-V139 WeakPolarHBondContact O-CG2 3.36Å; E135-V139 PolarHBondContact O-N 3.15Å; R137-V139 VanDerWaalsContact C-N 3.34Å; R137-V139 PolarHBondContact O-N 3.01Å; V139-E141 PolarHBondContact O-N 2.85Å; V139-S142 PolarHBondContact O-N 2.92Å; V139-E143 WeakPolarHBondContact O-CB 3.44Å; V139-E143 PolarHBondContact O-N 2.8Å |
| 140 | C | 92.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 62.8 Ų | 62.8 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -40.5 | -179.5 | -175.2 | 0 | 0 | 0 | 0 | 112.8 | I129 T131 G136 R137 L144 V168 M170 | I129-C140 HydrophobicContact CB-CB 4.4Å; I129-C140 HydrophobicContact CD1-CB 4.11Å; I129-C140 HydrophobicContact CG2-CB 4.18Å; T131-C140 HydrophobicContact CG2-CB 3.97Å; G136-C140 WeakPolarHBondContact O-CB 3.31Å; G136-C140 PolarHBondContact O-N 3.03Å; R137-C140 WeakPolarHBondContact O-CB 3.23Å; R137-C140 PolarHBondContact O-N 3.06Å; R137-C140 VanDerWaalsContact O-N 3.14Å; C140-L144 WeakPolarHBondContact O-CB 3.4Å; C140-L144 WeakPolarHBondContact O-CG 3.21Å; C140-L144 PolarHBondContact O-N 3.49Å; C140-V168 VanDerWaalsContact SG-CB 3.54Å; C140-M170 HydrophobicContact CB-CE 4.39Å; C140-M170 VanDerWaalsContact SG-CE 3.51Å |
| 141 | E | 91.5 | Very high | 92 | Very high | 98 Ų | 98 | 70.1 Ų | 70.1 | 46% | 0.458 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 176.5 | -78.3 | -176.2 | -143.3 | 0 | 0 | 112.2 | R137 V139 R145 | R137-E141 WeakPolarHBondContact O-CB 3.48Å; R137-E141 WeakPolarHBondContact O-CG 3.25Å; R137-E141 PolarHBondContact O-N 3.46Å; V139-E141 PolarHBondContact O-N 2.85Å; E141-R145 WeakPolarHBondContact O-CB 3.1Å; E141-R145 PolarHBondContact O-N 3.16Å; E141-R145 IonicContact OE2-NH2 2.68Å |
| 142 | S | 89.4 | Confident | 92.2 | Very high | 21 Ų | 21 | 71.8 Ų | 71.8 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.3 | -46.6 | 177.8 | -155.1 | 0 | 0 | 0 | 0 | 111.3 | E138 V139 R145 V146 A243 | E138-S142 PolarHBondContact O-N 3.46Å; E138-S142 VanDerWaalsContact O-N 3.1Å; V139-S142 PolarHBondContact O-N 2.92Å; S142-R145 WeakPolarHBondContact O-CB 3.32Å; S142-R145 PolarHBondContact O-N 2.96Å; S142-V146 PolarHBondContact O-N 3.39Å; S142-V146 VanDerWaalsContact O-N 3.11Å; S142-A243 PolarHBondContact OG-O 3.49Å |
| 143 | E | 93.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 179.7 | -178.3 | 162.7 | -144.4 | 0 | 0 | 111.7 | K127 V139 R145 V146 L147 M170 F240 | K127-E143 WeakPolarHBondContact CD-OE2 3.27Å; K127-E143 WeakPolarHBondContact CE-OE2 3.47Å; K127-E143 IonicContact NZ-OE1 3.22Å; K127-E143 PolarHBondContact NZ-OE1 3.42Å; K127-E143 IonicContact NZ-OE2 2.78Å; K127-E143 PolarHBondContact NZ-OE2 3.35Å; V139-E143 WeakPolarHBondContact O-CB 3.44Å; V139-E143 PolarHBondContact O-N 2.8Å; E143-R145 VanDerWaalsContact C-N 3.32Å; E143-R145 PolarHBondContact O-N 3.3Å; E143-V146 PolarHBondContact O-N 2.9Å; E143-L147 HydrophobicContact CG-CD1 3.61Å; E143-L147 HydrophobicContact CG-CG 4.1Å; E143-L147 VanDerWaalsContact O-CB 3.27Å; E143-L147 WeakPolarHBondContact O-CB 3.47Å; E143-L147 WeakPolarHBondContact O-CG 3.46Å; E143-L147 PolarHBondContact O-N 3.33Å; E143-M170 HydrophobicContact CB-CE 4.31Å; E143-M170 HydrophobicContact CG-CE 4.2Å; E143-M170 HydrophobicContact CG-SD 3.95Å; E143-F240 HydrophobicContact CG-CB 4.29Å |
| 144 | L | 95.1 | Very high | 93 | Very high | 10 Ų | 10 | 65.9 Ų | 65.9 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 174.3 | -76 | 178.6 | 0 | 0 | 0 | 113.3 | C140 V146 R148 L158 V161 V168 M170 | C140-L144 WeakPolarHBondContact O-CB 3.4Å; C140-L144 WeakPolarHBondContact O-CG 3.21Å; C140-L144 PolarHBondContact O-N 3.49Å; L144-V146 VanDerWaalsContact C-N 3.29Å; L144-V146 PolarHBondContact O-N 3.36Å; L144-R148 VanDerWaalsContact O-CB 3.31Å; L144-R148 WeakPolarHBondContact O-CB 3.33Å; L144-R148 WeakPolarHBondContact O-CD 3.49Å; L144-R148 VanDerWaalsContact O-CG 3.25Å; L144-R148 WeakPolarHBondContact O-CG 3.44Å; L144-R148 PolarHBondContact O-N 2.94Å; L144-R148 VanDerWaalsContact O-N 3.08Å; L144-L158 HydrophobicContact CD2-CD2 4.28Å; L144-V161 HydrophobicContact CD2-CG1 4.29Å; L144-V161 HydrophobicContact CD2-CG2 3.66Å; L144-V168 HydrophobicContact CD1-CG1 4.2Å; L144-M170 HydrophobicContact CD2-CE 4.1Å; L144-M170 HydrophobicContact CD2-CG 3.97Å; L144-M170 HydrophobicContact CD2-SD 3.78Å; L144-M170 HydrophobicContact CG-CE 3.85Å; L144-M170 HydrophobicContact CG-SD 4.16Å |
| 145 | R | 93.5 | Very high | 93.5 | Very high | 120 Ų | 120 | 57.7 Ų | 57.7 | 45% | 0.453 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.1 | -31.9 | 178.6 | -175.3 | -176.6 | -55.7 | 164.3 | 7.8 | 112.1 | E141 S142 E143 R149 A245 | E141-R145 WeakPolarHBondContact O-CB 3.1Å; E141-R145 PolarHBondContact O-N 3.16Å; E141-R145 IonicContact OE2-NH2 2.68Å; S142-R145 WeakPolarHBondContact O-CB 3.32Å; S142-R145 PolarHBondContact O-N 2.96Å; E143-R145 VanDerWaalsContact C-N 3.32Å; E143-R145 PolarHBondContact O-N 3.3Å; R145-R149 VanDerWaalsContact O-CD 3.25Å; R145-R149 WeakPolarHBondContact O-CD 3.27Å; R145-R149 WeakPolarHBondContact O-CG 3.1Å; R145-A245 HydrophobicContact CG-CB 4.32Å |
| 146 | V | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -81.1 | -54.4 | 171.5 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | S142 E143 L144 R148 R149 V150 L209 I214 F240 A243 A245 | S142-V146 PolarHBondContact O-N 3.39Å; S142-V146 VanDerWaalsContact O-N 3.11Å; E143-V146 PolarHBondContact O-N 2.9Å; L144-V146 VanDerWaalsContact C-N 3.29Å; L144-V146 PolarHBondContact O-N 3.36Å; V146-R148 PolarHBondContact O-N 3.12Å; V146-R148 VanDerWaalsContact O-N 3.15Å; V146-R149 WeakPolarHBondContact O-CA 3.24Å; V146-R149 WeakPolarHBondContact O-CB 3.36Å; V146-R149 PolarHBondContact O-N 2.78Å; V146-V150 HydrophobicContact CG1-CG1 3.89Å; V146-V150 HydrophobicContact CG1-CG2 4.42Å; V146-V150 PolarHBondContact O-N 2.95Å; V146-L209 HydrophobicContact CG1-CD2 4.39Å; V146-I214 HydrophobicContact CG1-CD1 4.17Å; V146-I214 HydrophobicContact CG1-CG2 4.05Å; V146-I214 HydrophobicContact CG2-CD1 4.46Å; V146-I214 HydrophobicContact CG2-CG2 3.72Å; V146-F240 HydrophobicContact CB-CB 4.03Å; V146-F240 HydrophobicContact CB-CD1 4.3Å; V146-F240 HydrophobicContact CB-CG 4.09Å; V146-F240 HydrophobicContact CG1-CB 4.08Å; V146-F240 HydrophobicContact CG1-CD1 3.49Å; V146-F240 VanDerWaalsContact CG1-CD1 3.49Å; V146-F240 HydrophobicContact CG1-CD2 3.98Å; V146-F240 HydrophobicContact CG1-CE1 3.81Å; V146-F240 HydrophobicContact CG1-CE2 4.29Å; V146-F240 HydrophobicContact CG1-CG 3.57Å; V146-F240 HydrophobicContact CG1-CZ 4.21Å; V146-F240 HydrophobicContact CG2-CB 4.42Å; V146-A243 HydrophobicContact CG2-CB 3.89Å; V146-A245 HydrophobicContact CG2-CB 3.99Å |
| 147 | L | 96.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.7 | -27.7 | -172.5 | -76.3 | -176.3 | 0 | 0 | 0 | 114.4 | E143 R149 V150 I156 L158 M170 M172 F240 | E143-L147 HydrophobicContact CG-CD1 3.61Å; E143-L147 HydrophobicContact CG-CG 4.1Å; E143-L147 VanDerWaalsContact O-CB 3.27Å; E143-L147 WeakPolarHBondContact O-CB 3.47Å; E143-L147 WeakPolarHBondContact O-CG 3.46Å; E143-L147 PolarHBondContact O-N 3.33Å; L147-R149 VanDerWaalsContact C-N 3.31Å; L147-V150 HydrophobicContact CD2-CG2 4.38Å; L147-I156 HydrophobicContact CD2-CG2 3.97Å; L147-L158 HydrophobicContact CB-CB 3.92Å; L147-L158 HydrophobicContact CB-CD2 3.93Å; L147-L158 HydrophobicContact CB-CG 4.42Å; L147-L158 HydrophobicContact CD1-CB 4.45Å; L147-L158 HydrophobicContact CD1-CD1 4.39Å; L147-M170 HydrophobicContact CD1-SD 4.02Å; L147-M172 HydrophobicContact CD1-SD 3.8Å; L147-F240 HydrophobicContact CD2-CD2 3.57Å; L147-F240 HydrophobicContact CD2-CE2 3.76Å; L147-F240 HydrophobicContact CG-CD2 4.09Å |
| 148 | R | 95.5 | Very high | 94.8 | Very high | 157 Ų | 157 | 50.7 Ų | 50.7 | 59% | 0.592 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -12 | 173 | -70.5 | 171.8 | 172.1 | 154.1 | -3.7 | 114.2 | L144 V146 L158 | L144-R148 VanDerWaalsContact O-CB 3.31Å; L144-R148 WeakPolarHBondContact O-CB 3.33Å; L144-R148 WeakPolarHBondContact O-CD 3.49Å; L144-R148 VanDerWaalsContact O-CG 3.25Å; L144-R148 WeakPolarHBondContact O-CG 3.44Å; L144-R148 PolarHBondContact O-N 2.94Å; L144-R148 VanDerWaalsContact O-N 3.08Å; V146-R148 PolarHBondContact O-N 3.12Å; V146-R148 VanDerWaalsContact O-N 3.15Å; R148-L158 HydrophobicContact CG-CD2 3.94Å |
| 149 | R | 94.7 | Very high | 95.2 | Very high | 107 Ų | 107 | 49 Ų | 49 | 40% | 0.404 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -15.7 | -176.6 | -69 | 178.2 | 59.6 | -169.2 | -9.1 | 114.1 | R145 V146 L147 L212 R246 | R145-R149 VanDerWaalsContact O-CD 3.25Å; R145-R149 WeakPolarHBondContact O-CD 3.27Å; R145-R149 WeakPolarHBondContact O-CG 3.1Å; V146-R149 WeakPolarHBondContact O-CA 3.24Å; V146-R149 WeakPolarHBondContact O-CB 3.36Å; V146-R149 PolarHBondContact O-N 2.78Å; L147-R149 VanDerWaalsContact C-N 3.31Å; R149-L212 PolarHBondContact NH2-O 3.28Å; R149-R246 PolarHBondContact NH1-O 2.8Å |
| 150 | V | 96.3 | Very high | 95.7 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | trans | -104.7 | 141.1 | -172.6 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | V146 L147 I155 Y208 L209 L212 I214 | V146-V150 HydrophobicContact CG1-CG1 3.89Å; V146-V150 HydrophobicContact CG1-CG2 4.42Å; V146-V150 PolarHBondContact O-N 2.95Å; L147-V150 HydrophobicContact CD2-CG2 4.38Å; V150-I155 HydrophobicContact CB-CG2 4.16Å; V150-I155 HydrophobicContact CG2-CG2 3.73Å; V150-Y208 HydrophobicContact CB-CE1 3.98Å; V150-Y208 HydrophobicContact CG1-CE1 4.09Å; V150-L209 HydrophobicContact CG1-CD2 3.84Å; V150-L212 HydrophobicContact CG1-CD1 4.11Å; V150-I214 HydrophobicContact CG1-CD1 3.91Å | ||
| 151 | R | 96.5 | Very high | 96 | Very high | 207 Ų | 207 | 51.2 Ų | 51.2 | 78% | 0.781 | 24% | 0.235 | S | C | * | . | trans | -154.3 | 97.1 | 171.3 | -178.4 | 168.2 | -173.2 | -171.9 | 1.4 | 108.9 | Y208 | R151-Y208 PolarHBondContact N-OH 2.89Å; R151-Y208 PolarHBondContact O-OH 2.83Å | ||
| 152 | H | 98.1 | Very high | 96.3 | Very high | 47 Ų | 47 | 47.8 Ų | 47.8 | 22% | 0.218 | 22% | 0.218 | C | C | . | . | trans | -146.6 | 150.9 | -177.4 | -173.4 | -106.5 | 0 | 0 | 0 | 110.3 | N154 I155 Y208 | H152-N154 PolarHBondContact CE1-OD1 3.39Å; H152-N154 PolarHBondContact ND1-N 3.3Å; H152-N154 PolarHBondContact O-N 3.37Å; H152-I155 HydrophobicContact CB-CB 4.17Å; H152-I155 HydrophobicContact CB-CD1 3.8Å; H152-I155 HydrophobicContact CB-CG1 4.03Å; H152-I155 PolarHBondContact O-N 3.14Å; H152-Y208 HydrophobicContact CB-CD1 3.81Å; H152-Y208 HydrophobicContact CB-CD2 4.13Å; H152-Y208 HydrophobicContact CB-CE1 3.95Å; H152-Y208 HydrophobicContact CB-CE2 4.27Å; H152-Y208 HydrophobicContact CB-CG 3.89Å; H152-Y208 AromaticContact CD2-CD2 3.84Å; H152-Y208 AromaticContact CD2-CG 3.96Å; H152-Y208 AromaticContact CG-CG 3.92Å | ||
| 153 | A | 97.3 | Very high | 96.5 | Very high | 57 Ų | 57 | 52.2 Ų | 52.2 | 47% | 0.471 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -39.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K234 | A153-K234 VanDerWaalsContact O-CD 3.29Å; A153-K234 WeakPolarHBondContact O-CD 3.42Å; A153-K234 WeakPolarHBondContact O-CE 3.48Å; A153-K234 PolarHBondContact O-NZ 3.2Å |
| 154 | N | 98.3 | Very high | 96.5 | Very high | 15 Ų | 15 | 54.2 Ų | 54.2 | 8% | 0.08 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 21.3 | -175.5 | -53.6 | 96.2 | 0 | 0 | 0 | 114.1 | H152 M201 I235 I237 | H152-N154 PolarHBondContact CE1-OD1 3.39Å; H152-N154 PolarHBondContact ND1-N 3.3Å; H152-N154 PolarHBondContact O-N 3.37Å; N154-M201 VanDerWaalsContact CB-O 3.28Å; N154-M201 WeakPolarHBondContact CB-O 3.39Å; N154-M201 VanDerWaalsContact CG-O 3.27Å; N154-I235 WeakPolarHBondContact CA-O 3.38Å; N154-I235 WeakPolarHBondContact CB-O 3.47Å; N154-I235 PolarHBondContact ND2-O 2.8Å; N154-I237 WeakPolarHBondContact O-CG1 3.23Å; N154-I237 PolarHBondContact O-N 2.96Å |
| 155 | I | 98.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -128.6 | 141.6 | 177.4 | -65 | 176.2 | 0 | 0 | 0 | 108.9 | V150 H152 Q157 Y208 L209 F240 | V150-I155 HydrophobicContact CB-CG2 4.16Å; V150-I155 HydrophobicContact CG2-CG2 3.73Å; H152-I155 HydrophobicContact CB-CB 4.17Å; H152-I155 HydrophobicContact CB-CD1 3.8Å; H152-I155 HydrophobicContact CB-CG1 4.03Å; H152-I155 PolarHBondContact O-N 3.14Å; I155-Q157 PolarHBondContact O-N 2.87Å; I155-Y208 HydrophobicContact CD1-CD1 3.46Å; I155-Y208 VanDerWaalsContact CD1-CD1 3.46Å; I155-Y208 HydrophobicContact CD1-CE1 3.98Å; I155-Y208 HydrophobicContact CD1-CG 4.4Å; I155-L209 HydrophobicContact CD1-CD1 4.24Å; I155-L209 HydrophobicContact CD1-CD2 3.87Å; I155-L209 HydrophobicContact CD1-CG 3.71Å; I155-F240 HydrophobicContact CG2-CE2 3.83Å; I155-F240 HydrophobicContact CG2-CZ 3.65Å |
| 156 | I | 97.6 | Very high | 96.2 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 6% | 0.056 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -66 | 121.7 | -179.4 | -166.2 | 72.2 | 0 | 0 | 0 | 111.1 | L147 M172 E173 I236 I237 T238 F240 | L147-I156 HydrophobicContact CD2-CG2 3.97Å; I156-M172 HydrophobicContact CG1-CB 4.19Å; I156-M172 HydrophobicContact CG1-SD 4.37Å; I156-E173 HydrophobicContact CD1-CB 3.89Å; I156-I236 HydrophobicContact CB-CG2 3.71Å; I156-I236 HydrophobicContact CD1-CD1 4.49Å; I156-I236 HydrophobicContact CD1-CG2 3.95Å; I156-I236 HydrophobicContact CG1-CG2 4.46Å; I156-I236 VanDerWaalsContact N-CG2 3.28Å; I156-I237 PolarHBondContact N-O 3.37Å; I156-I237 VanDerWaalsContact N-O 3.13Å; I156-T238 HydrophobicContact CB-CG2 4.07Å; I156-T238 HydrophobicContact CG1-CG2 4.45Å; I156-T238 HydrophobicContact CG2-CG2 4.29Å; I156-F240 HydrophobicContact CG2-CE2 4.11Å |
| 157 | Q | 97.4 | Very high | 96.2 | Very high | 45 Ų | 45 | 65.6 Ų | 65.6 | 21% | 0.21 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 125.7 | -178.8 | -173.6 | 59 | 69.6 | 0 | 0 | 111.1 | I155 M172 E173 | I155-Q157 PolarHBondContact O-N 2.87Å; Q157-M172 VanDerWaalsContact O-CA 3.27Å; Q157-M172 WeakPolarHBondContact O-CA 3.45Å; Q157-E173 HydrophobicContact CB-CG 3.98Å; Q157-E173 PolarHBondContact O-N 2.92Å |
| 158 | L | 98.1 | Very high | 96.2 | Very high | 20 Ų | 20 | 65.6 Ų | 65.6 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 132.8 | 164.4 | 180 | 74.3 | 0 | 0 | 0 | 109.9 | L144 L147 R148 V161 M170 V171 M172 | L144-L158 HydrophobicContact CD2-CD2 4.28Å; L147-L158 HydrophobicContact CB-CB 3.92Å; L147-L158 HydrophobicContact CB-CD2 3.93Å; L147-L158 HydrophobicContact CB-CG 4.42Å; L147-L158 HydrophobicContact CD1-CB 4.45Å; L147-L158 HydrophobicContact CD1-CD1 4.39Å; R148-L158 HydrophobicContact CG-CD2 3.94Å; L158-V161 HydrophobicContact CD1-CG2 4.03Å; L158-V161 HydrophobicContact CD2-CG2 3.91Å; L158-V161 HydrophobicContact CG-CG2 4.37Å; L158-M170 HydrophobicContact CD1-CB 3.86Å; L158-M170 HydrophobicContact CD1-CG 4.48Å; L158-V171 WeakPolarHBondContact CD1-O 3.41Å; L158-M172 HydrophobicContact CD1-CG 4.09Å |
| 159 | V | 97.6 | Very high | 96.3 | Very high | 59 Ų | 59 | 58.3 Ų | 58.3 | 36% | 0.358 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -53 | -177.6 | -179.2 | 0 | 0 | 0 | 0 | 110 | Y124 V171 | Y124-V159 HydrophobicContact CD1-CG2 3.95Å; Y124-V159 HydrophobicContact CE1-CG1 4.23Å; Y124-V159 HydrophobicContact CE1-CG2 3.72Å; V159-V171 HydrophobicContact CB-CB 4.36Å; V159-V171 HydrophobicContact CB-CG1 4.26Å; V159-V171 WeakPolarHBondContact CB-O 3.44Å; V159-V171 PolarHBondContact N-O 2.88Å |
| 160 | E | 97.4 | Very high | 96.4 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 23% | 0.234 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 169.4 | 178.2 | 60.7 | -166.8 | 76.5 | 0 | 0 | 111.8 | K97 Y98 F162 V171 | K97-E160 WeakPolarHBondContact CE-OE1 3.47Å; K97-E160 WeakPolarHBondContact CE-OE2 3.31Å; K97-E160 IonicContact NZ-OE1 2.61Å; K97-E160 PolarHBondContact NZ-OE1 2.95Å; K97-E160 IonicContact NZ-OE2 2.7Å; K97-E160 PolarHBondContact NZ-OE2 3.4Å; Y98-E160 PolarHBondContact OH-OE1 2.9Å; Y98-E160 VanDerWaalsContact OH-OE1 3.07Å; E160-F162 HydrophobicContact CG-CE2 4.06Å; E160-F162 WeakPolarHBondContact OE2-CE2 3.42Å; E160-F162 VanDerWaalsContact OE2-CZ 3.23Å; E160-F162 WeakPolarHBondContact OE2-CZ 3.33Å; E160-V171 HydrophobicContact CG-CB 3.77Å; E160-V171 HydrophobicContact CG-CG1 4.49Å; E160-V171 HydrophobicContact CG-CG2 3.6Å; E160-V171 PolarHBondContact N-O 2.95Å; E160-V171 PolarHBondContact O-N 3.47Å |
| 161 | V | 98 | Very high | 96.5 | Very high | 42 Ų | 42 | 53 Ų | 53 | 26% | 0.255 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 133 | -176.7 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | L144 L158 V168 Y169 | L144-V161 HydrophobicContact CD2-CG1 4.29Å; L144-V161 HydrophobicContact CD2-CG2 3.66Å; L158-V161 HydrophobicContact CD1-CG2 4.03Å; L158-V161 HydrophobicContact CD2-CG2 3.91Å; L158-V161 HydrophobicContact CG-CG2 4.37Å; V161-V168 HydrophobicContact CG1-CG1 3.71Å; V161-Y169 WeakPolarHBondContact CA-O 3.48Å |
| 162 | F | 97.4 | Very high | 96.6 | Very high | 26 Ų | 26 | 43.8 Ų | 43.8 | 11% | 0.114 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 139.3 | 164.6 | -55.3 | -103.2 | 0 | 0 | 0 | 109.2 | R93 V94 K97 Y98 E160 Y169 V171 | R93-F162 HydrophobicContact CB-CD1 3.77Å; R93-F162 HydrophobicContact CB-CE1 3.87Å; V94-F162 HydrophobicContact CG2-CB 3.8Å; V94-F162 HydrophobicContact CG2-CD1 4Å; V94-F162 HydrophobicContact CG2-CD2 3.7Å; V94-F162 HydrophobicContact CG2-CE2 4.25Å; V94-F162 HydrophobicContact CG2-CG 3.56Å; K97-F162 HydrophobicContact CD-CZ 4.36Å; Y98-F162 HydrophobicContact CD2-CE2 4.49Å; Y98-F162 AromaticContact CE2-CE2 3.97Å; Y98-F162 HydrophobicContact CE2-CE2 3.97Å; Y98-F162 HydrophobicContact CE2-CZ 4.15Å; E160-F162 HydrophobicContact CG-CE2 4.06Å; E160-F162 WeakPolarHBondContact OE2-CE2 3.42Å; E160-F162 VanDerWaalsContact OE2-CZ 3.23Å; E160-F162 WeakPolarHBondContact OE2-CZ 3.33Å; F162-Y169 HydrophobicContact CB-CD2 4.22Å; F162-Y169 PolarHBondContact N-O 3.31Å; F162-Y169 PolarHBondContact O-N 2.93Å; F162-V171 HydrophobicContact CD2-CG2 4.21Å; F162-V171 HydrophobicContact CE2-CG2 3.87Å |
| 163 | E | 95.4 | Very high | 96.6 | Very high | 114 Ų | 114 | 43.9 Ų | 43.9 | 53% | 0.533 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 138 | -174.4 | -175.9 | 159.2 | -169.3 | 0 | 0 | 110.9 | R93 V168 | R93-E163 PolarHBondContact NH1-O 3.5Å; R93-E163 PolarHBondContact NH2-O 3.34Å; E163-V168 HydrophobicContact CG-CG2 4.05Å |
| 164 | T | 93.2 | Very high | 96.6 | Very high | 42 Ų | 42 | 41.9 Ų | 41.9 | 26% | 0.258 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 167.7 | 170.8 | 77.5 | 0 | 0 | 0 | 0 | 109.4 | D91 E166 R167 Y169 | D91-T164 HydrophobicContact CB-CG2 4.36Å; D91-T164 WeakPolarHBondContact OD2-CG2 3.45Å; T164-E166 PolarHBondContact O-N 2.88Å; T164-E166 PolarHBondContact OG1-N 2.97Å; T164-R167 PolarHBondContact N-O 2.69Å; T164-R167 PolarHBondContact O-N 2.87Å; T164-R167 PolarHBondContact OG1-N 2.7Å; T164-R167 VanDerWaalsContact OG1-N 3.13Å; T164-R167 PolarHBondContact OG1-O 2.9Å; T164-Y169 HydrophobicContact CG2-CE2 4.17Å |
| 165 | Q | 90.9 | Very high | 96.4 | Very high | 192 Ų | 192 | 42.2 Ų | 42.2 | 90% | 0.897 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -22.4 | 179.2 | -167.3 | 172.9 | 11.4 | 0 | 0 | 115 | ||
| 166 | E | 91.7 | Very high | 96.3 | Very high | 104 Ų | 104 | 45.6 Ų | 45.6 | 49% | 0.486 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -8.9 | -179 | -60.3 | -169 | 155.3 | 0 | 0 | 114.8 | E130 T131 K132 T164 | E130-E166 CarbonylContact C-O 3.53Å; E130-E166 WeakPolarHBondContact CA-O 3.27Å; T131-E166 PolarHBondContact N-O 3.47Å; T131-E166 PolarHBondContact OG1-O 3.21Å; K132-E166 HydrophobicContact CB-CB 4.38Å; K132-E166 HydrophobicContact CB-CG 4.43Å; K132-E166 PolarHBondContact N-O 3.27Å; T164-E166 PolarHBondContact O-N 2.88Å; T164-E166 PolarHBondContact OG1-N 2.97Å |
| 167 | R | 94.1 | Very high | 96.1 | Very high | 73 Ų | 73 | 45.6 Ų | 45.6 | 28% | 0.275 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 145.4 | -173 | -61.9 | -174.2 | -169.1 | 144 | 10.1 | 113.6 | K89 I129 T131 T164 Y169 | K89-R167 PolarHBondContact O-NH1 3.04Å; I129-R167 VanDerWaalsContact O-CA 3.27Å; I129-R167 WeakPolarHBondContact O-CA 3.39Å; T131-R167 PolarHBondContact OG1-N 3.01Å; T164-R167 PolarHBondContact N-O 2.69Å; T164-R167 PolarHBondContact O-N 2.87Å; T164-R167 PolarHBondContact OG1-N 2.7Å; T164-R167 VanDerWaalsContact OG1-N 3.13Å; T164-R167 PolarHBondContact OG1-O 2.9Å; R167-Y169 HydrophobicContact CB-CE2 3.93Å |
| 168 | V | 96.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 140.1 | 166.2 | 175.1 | 0 | 0 | 0 | 0 | 109.4 | M128 I129 T131 C140 L144 V161 E163 M170 | M128-V168 CarbonylContact C-O 3.59Å; M128-V168 WeakPolarHBondContact CA-O 3.28Å; I129-V168 PolarHBondContact N-O 2.83Å; I129-V168 PolarHBondContact O-N 3.32Å; T131-V168 HydrophobicContact CG2-CB 4.47Å; T131-V168 HydrophobicContact CG2-CG2 3.94Å; C140-V168 VanDerWaalsContact SG-CB 3.54Å; L144-V168 HydrophobicContact CD1-CG1 4.2Å; V161-V168 HydrophobicContact CG1-CG1 3.71Å; E163-V168 HydrophobicContact CG-CG2 4.05Å; V168-M170 HydrophobicContact CG1-CE 4.29Å; V168-M170 HydrophobicContact CG1-CG 4.02Å |
| 169 | Y | 97.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 105.3 | 176.2 | -53.6 | -106.4 | 0 | 0 | 0 | 107.9 | F90 D91 V94 I126 M128 V161 F162 T164 R167 | F90-Y169 HydrophobicContact CD1-CD1 4.14Å; F90-Y169 AromaticContact CD1-CE1 3.81Å; F90-Y169 HydrophobicContact CD1-CE1 3.81Å; F90-Y169 HydrophobicContact CE1-CE1 4.49Å; F90-Y169 HydrophobicContact CG-CE1 4.47Å; D91-Y169 HydrophobicContact CB-CE2 3.9Å; D91-Y169 PolarHBondContact N-OH 3.43Å; V94-Y169 HydrophobicContact CG2-CD1 4.05Å; V94-Y169 HydrophobicContact CG2-CD2 4.25Å; V94-Y169 HydrophobicContact CG2-CG 3.92Å; I126-Y169 HydrophobicContact CG2-CD1 4.31Å; M128-Y169 HydrophobicContact CB-CD1 4.49Å; M128-Y169 HydrophobicContact CG-CD1 3.61Å; M128-Y169 HydrophobicContact CG-CE1 3.96Å; M128-Y169 HydrophobicContact SD-CD1 3.89Å; M128-Y169 HydrophobicContact SD-CE1 3.67Å; V161-Y169 WeakPolarHBondContact CA-O 3.48Å; F162-Y169 HydrophobicContact CB-CD2 4.22Å; F162-Y169 PolarHBondContact N-O 3.31Å; F162-Y169 PolarHBondContact O-N 2.93Å; T164-Y169 HydrophobicContact CG2-CE2 4.17Å; R167-Y169 HydrophobicContact CB-CE2 3.93Å |
| 170 | M | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 112.8 | 176.8 | -54.8 | -175 | -153 | 0 | 0 | 109.2 | I126 K127 I129 C140 E143 L144 L147 L158 V168 M172 | I126-M170 CarbonylContact C-O 3.57Å; I126-M170 VanDerWaalsContact CA-O 3.28Å; I126-M170 WeakPolarHBondContact CA-O 3.47Å; K127-M170 HydrophobicContact CB-CB 4.5Å; K127-M170 PolarHBondContact N-O 2.93Å; K127-M170 PolarHBondContact O-N 2.82Å; I129-M170 HydrophobicContact CD1-CE 3.56Å; I129-M170 HydrophobicContact CG1-CE 4.28Å; C140-M170 HydrophobicContact CB-CE 4.39Å; C140-M170 VanDerWaalsContact SG-CE 3.51Å; E143-M170 HydrophobicContact CB-CE 4.31Å; E143-M170 HydrophobicContact CG-CE 4.2Å; E143-M170 HydrophobicContact CG-SD 3.95Å; L144-M170 HydrophobicContact CD2-CE 4.1Å; L144-M170 HydrophobicContact CD2-CG 3.97Å; L144-M170 HydrophobicContact CD2-SD 3.78Å; L144-M170 HydrophobicContact CG-CE 3.85Å; L144-M170 HydrophobicContact CG-SD 4.16Å; L147-M170 HydrophobicContact CD1-SD 4.02Å; L158-M170 HydrophobicContact CD1-CB 3.86Å; L158-M170 HydrophobicContact CD1-CG 4.48Å; V168-M170 HydrophobicContact CG1-CE 4.29Å; V168-M170 HydrophobicContact CG1-CG 4.02Å; M170-M172 HydrophobicContact CB-CG 4.47Å |
| 171 | V | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 126.8 | 172.4 | -169.2 | 0 | 0 | 0 | 0 | 108.4 | Y98 Y124 A125 I126 L158 V159 E160 F162 | Y98-V171 HydrophobicContact CE1-CG1 4.06Å; Y98-V171 HydrophobicContact CE2-CG2 4Å; Y124-V171 HydrophobicContact CD1-CG1 4.38Å; Y124-V171 HydrophobicContact CG-CG1 4.11Å; A125-V171 WeakPolarHBondContact O-CA 3.28Å; I126-V171 HydrophobicContact CD1-CG2 4.03Å; I126-V171 HydrophobicContact CG1-CB 4.47Å; I126-V171 HydrophobicContact CG1-CG1 4.37Å; I126-V171 HydrophobicContact CG1-CG2 4.06Å; L158-V171 WeakPolarHBondContact CD1-O 3.41Å; V159-V171 HydrophobicContact CB-CB 4.36Å; V159-V171 HydrophobicContact CB-CG1 4.26Å; V159-V171 WeakPolarHBondContact CB-O 3.44Å; V159-V171 PolarHBondContact N-O 2.88Å; E160-V171 HydrophobicContact CG-CB 3.77Å; E160-V171 HydrophobicContact CG-CG1 4.49Å; E160-V171 HydrophobicContact CG-CG2 3.6Å; E160-V171 PolarHBondContact N-O 2.95Å; E160-V171 PolarHBondContact O-N 3.47Å; F162-V171 HydrophobicContact CD2-CG2 4.21Å; F162-V171 HydrophobicContact CE2-CG2 3.87Å |
| 172 | M | 98.2 | Very high | 94.2 | Very high | 14 Ų | 14 | 47.7 Ų | 47.7 | 7% | 0.069 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 165 | -175.3 | -61.4 | -179.6 | -64.9 | 0 | 0 | 110.9 | Y124 A125 K127 L147 I156 Q157 L158 M170 | Y124-M172 WeakPolarHBondContact CB-O 3.42Å; Y124-M172 WeakPolarHBondContact CD1-O 3.43Å; A125-M172 PolarHBondContact N-O 3.39Å; A125-M172 PolarHBondContact O-N 3.43Å; K127-M172 HydrophobicContact CB-CE 3.51Å; K127-M172 HydrophobicContact CD-CE 4.29Å; L147-M172 HydrophobicContact CD1-SD 3.8Å; I156-M172 HydrophobicContact CG1-CB 4.19Å; I156-M172 HydrophobicContact CG1-SD 4.37Å; Q157-M172 VanDerWaalsContact O-CA 3.27Å; Q157-M172 WeakPolarHBondContact O-CA 3.45Å; L158-M172 HydrophobicContact CD1-CG 4.09Å; M170-M172 HydrophobicContact CB-CG 4.47Å |
| 173 | E | 97.1 | Very high | 93.6 | Very high | 50 Ų | 50 | 48.6 Ų | 48.6 | 23% | 0.234 | 25% | 0.249 | C | C | . | . | trans | -48.2 | 152.6 | 164 | -80.3 | -178.9 | -177.7 | 0 | 0 | 111.8 | I156 Q157 K234 | I156-E173 HydrophobicContact CD1-CB 3.89Å; Q157-E173 HydrophobicContact CB-CG 3.98Å; Q157-E173 PolarHBondContact O-N 2.92Å; E173-K234 IonicContact OE2-NZ 3.67Å | ||
| 174 | L | 97.1 | Very high | 93 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | trans | -105.3 | 109 | 176.2 | -175.5 | 69.9 | 0 | 0 | 0 | 110.1 | I104 R114 P123 A125 T176 | I104-L174 HydrophobicContact CD1-CD1 3.66Å; R114-L174 HydrophobicContact CG-CD1 4.4Å; R114-L174 HydrophobicContact CG-CD2 3.85Å; P123-L174 HydrophobicContact CB-CD2 3.9Å; A125-L174 HydrophobicContact CB-CD1 3.95Å; L174-T176 HydrophobicContact CD2-CG2 3.66Å; L174-T176 HydrophobicContact CG-CG2 3.68Å | ||
| 175 | A | 95.8 | Very high | 92.5 | Very high | 22 Ų | 22 | 49 Ų | 49 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | trans | -73.1 | 139 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110 | L225 | A175-L225 HydrophobicContact CB-CB 3.75Å; A175-L225 HydrophobicContact CB-CD1 3.85Å; A175-L225 HydrophobicContact CB-CG 4.48Å | ||
| 176 | T | 94.8 | Very high | 92.1 | Very high | 72 Ų | 72 | 44.1 Ų | 44.1 | 44% | 0.442 | 24% | 0.244 | S | C | . | . | trans | -137.3 | -2.6 | -174.3 | 59.4 | 0 | 0 | 0 | 0 | 114.2 | L174 Y226 Y227 H228 | L174-T176 HydrophobicContact CD2-CG2 3.66Å; L174-T176 HydrophobicContact CG-CG2 3.68Å; T176-Y226 PolarHBondContact N-O 3.46Å; T176-Y227 PolarHBondContact N-O 3.06Å; T176-Y227 PolarHBondContact OG1-O 2.87Å; T176-H228 WeakPolarHBondContact OG1-CA 3.25Å | ||
| 177 | G | 92.9 | Very high | 91.3 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -87.5 | 3.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y226 H228 | G177-Y226 VanDerWaalsContact CA-O 3.32Å; G177-Y226 WeakPolarHBondContact CA-O 3.27Å; G177-Y226 PolarHBondContact N-O 3.14Å; G177-H228 VanDerWaalsContact CA-C 3.43Å |
| 178 | G | 92.8 | Very high | 90.2 | Very high | 36 Ų | 36 | 43.8 Ų | 43.8 | 37% | 0.371 | 26% | 0.264 | S | S | . | . | trans | 84.2 | 176.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y226 | G178-Y226 PolarHBondContact O-N 3.03Š| ||
| 179 | E | 93.3 | Very high | 89.2 | Confident | 76 Ų | 76 | 47.3 Ų | 47.3 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -71.5 | 160.6 | 172.3 | -64.8 | -178.6 | -153.8 | 0 | 0 | 111.1 | F181 D182 R183 E222 L225 | E179-F181 PolarHBondContact O-N 2.98Å; E179-D182 HydrophobicContact CB-CB 4.44Å; E179-R183 PolarHBondContact O-N 3.33Å; E179-E222 WeakPolarHBondContact OE2-CA 3.42Å; E179-E222 WeakPolarHBondContact OE2-CB 2.81Å; E179-L225 HydrophobicContact CB-CD2 4.32Å; E179-L225 HydrophobicContact CG-CD2 3.63Å |
| 180 | L | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.4 | -49.3 | -173.6 | 174.8 | 55.7 | 0 | 0 | 0 | 112.9 | I184 V198 L224 Y226 I235 I286 L290 | L180-I184 HydrophobicContact CD1-CD1 3.81Å; L180-I184 HydrophobicContact CG-CD1 4.21Å; L180-I184 VanDerWaalsContact O-CG1 3.3Å; L180-I184 WeakPolarHBondContact O-CG1 3.27Å; L180-I184 PolarHBondContact O-N 2.82Å; L180-V198 HydrophobicContact CD1-CG1 3.71Å; L180-V198 HydrophobicContact CD1-CG2 4.17Å; L180-V198 HydrophobicContact CD2-CG1 4.05Å; L180-L224 HydrophobicContact CB-CB 4.15Å; L180-L224 WeakPolarHBondContact CB-O 3.39Å; L180-L224 HydrophobicContact CD2-CB 4.27Å; L180-L224 HydrophobicContact CD2-CD1 3.83Å; L180-L224 PolarHBondContact N-O 2.99Å; L180-Y226 HydrophobicContact CD1-CE2 3.8Å; L180-I235 HydrophobicContact CD1-CD1 4.05Å; L180-I286 HydrophobicContact CD2-CG2 4.22Å; L180-L290 HydrophobicContact CD1-CD2 4.38Å; L180-L290 HydrophobicContact CD2-CD1 4.47Å; L180-L290 HydrophobicContact CD2-CD2 4.26Å; L180-L290 HydrophobicContact CG-CD2 4.37Å |
| 181 | F | 86.6 | Confident | 88.1 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -79 | -39.3 | -175.3 | -68.7 | -11.4 | 0 | 0 | 0 | 113.4 | E179 R183 I184 I185 P221 I289 L290 | E179-F181 PolarHBondContact O-N 2.98Å; F181-R183 PolarHBondContact O-N 3.1Å; F181-I184 HydrophobicContact CD1-CD1 4.26Å; F181-I184 PolarHBondContact O-N 3.47Å; F181-I185 WeakPolarHBondContact O-CG1 3.47Å; F181-I185 PolarHBondContact O-N 3.27Å; F181-P221 HydrophobicContact CD1-CB 4.28Å; F181-P221 HydrophobicContact CD2-CB 3.72Å; F181-P221 HydrophobicContact CD2-CG 3.68Å; F181-P221 HydrophobicContact CE1-CB 4.3Å; F181-P221 HydrophobicContact CE1-CG 4.09Å; F181-P221 HydrophobicContact CE2-CB 3.77Å; F181-P221 HydrophobicContact CE2-CG 3.18Å; F181-P221 HydrophobicContact CG-CB 3.98Å; F181-P221 HydrophobicContact CG-CG 4.32Å; F181-P221 HydrophobicContact CZ-CB 4.05Å; F181-P221 HydrophobicContact CZ-CG 3.4Å; F181-P221 VanDerWaalsContact CZ-CG 3.4Å; F181-I289 HydrophobicContact CE1-CG2 4.14Å; F181-I289 HydrophobicContact CE2-CB 4.31Å; F181-I289 HydrophobicContact CE2-CD1 4.19Å; F181-I289 HydrophobicContact CE2-CG2 3.57Å; F181-I289 HydrophobicContact CZ-CB 3.73Å; F181-I289 HydrophobicContact CZ-CD1 4.05Å; F181-I289 HydrophobicContact CZ-CG1 4.5Å; F181-I289 HydrophobicContact CZ-CG2 3.33Å; F181-L290 HydrophobicContact CD1-CD2 4.4Å; F181-L290 HydrophobicContact CE1-CD2 3.87Å; F181-L290 HydrophobicContact CE1-CG 4.26Å |
| 182 | D | 86.9 | Confident | 87.6 | Confident | 97 Ų | 97 | 57.3 Ų | 57.3 | 52% | 0.519 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -48.5 | -46.4 | 171.9 | -80.6 | 0 | 0 | 0 | 0 | 111.5 | E179 A186 | E179-D182 HydrophobicContact CB-CB 4.44Å; D182-A186 VanDerWaalsContact O-CB 3.29Å; D182-A186 WeakPolarHBondContact O-CB 3.47Å; D182-A186 PolarHBondContact O-N 3.26Å |
| 183 | R | 84 | Confident | 87.3 | Confident | 45 Ų | 45 | 66.9 Ų | 66.9 | 17% | 0.17 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -71.7 | -32.7 | -179.4 | -166.6 | -180 | -177.9 | 169.9 | 0.3 | 113.1 | E179 F181 A186 K187 Y226 H228 P229 G230 | E179-R183 PolarHBondContact O-N 3.33Å; F181-R183 PolarHBondContact O-N 3.1Å; R183-A186 PolarHBondContact O-N 3.13Å; R183-K187 WeakPolarHBondContact O-CB 3.12Å; R183-K187 PolarHBondContact O-N 3.33Å; R183-Y226 HydrophobicContact CB-CD2 3.92Å; R183-Y226 HydrophobicContact CB-CE2 3.82Å; R183-Y226 VanDerWaalsContact CD-CE2 3.48Å; R183-Y226 HydrophobicContact CG-CD2 4.24Å; R183-Y226 HydrophobicContact CG-CE2 4.16Å; R183-Y226 VanDerWaalsContact NH1-CB 3.33Å; R183-H228 PolarHBondContact NH1-O 3.5Å; R183-P229 PolarHBondContact NH2-O 3.2Å; R183-G230 VanDerWaalsContact NH2-C 3.27Å; R183-G230 PolarHBondContact NH2-O 3.49Å |
| 184 | I | 83.6 | Confident | 87 | Confident | 33 Ų | 33 | 66.8 Ų | 66.8 | 17% | 0.169 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.1 | -45.7 | 176.5 | -73.5 | 172.5 | 0 | 0 | 0 | 110.1 | L180 F181 K187 F190 L290 | L180-I184 HydrophobicContact CD1-CD1 3.81Å; L180-I184 HydrophobicContact CG-CD1 4.21Å; L180-I184 VanDerWaalsContact O-CG1 3.3Å; L180-I184 WeakPolarHBondContact O-CG1 3.27Å; L180-I184 PolarHBondContact O-N 2.82Å; F181-I184 HydrophobicContact CD1-CD1 4.26Å; F181-I184 PolarHBondContact O-N 3.47Å; I184-K187 PolarHBondContact O-N 3.46Å; I184-F190 HydrophobicContact CB-CD2 4.45Å; I184-F190 HydrophobicContact CD1-CD1 4.2Å; I184-F190 HydrophobicContact CD1-CD2 4.05Å; I184-F190 HydrophobicContact CD1-CE1 3.77Å; I184-F190 HydrophobicContact CD1-CE2 3.6Å; I184-F190 HydrophobicContact CD1-CG 4.32Å; I184-F190 HydrophobicContact CD1-CZ 3.45Å; I184-F190 VanDerWaalsContact CD1-CZ 3.45Å; I184-F190 HydrophobicContact CG1-CD1 4.48Å; I184-F190 HydrophobicContact CG1-CD2 3.65Å; I184-F190 HydrophobicContact CG1-CE1 4.42Å; I184-F190 HydrophobicContact CG1-CE2 3.58Å; I184-F190 HydrophobicContact CG1-CG 4.11Å; I184-F190 HydrophobicContact CG1-CZ 3.99Å; I184-F190 HydrophobicContact CG2-CB 3.92Å; I184-F190 HydrophobicContact CG2-CD1 4.17Å; I184-F190 HydrophobicContact CG2-CD2 4.23Å; I184-F190 HydrophobicContact CG2-CG 3.87Å; I184-L290 HydrophobicContact CD1-CD2 3.3Å |
| 185 | I | 82.7 | Confident | 86.7 | Confident | 132 Ų | 132 | 66 Ų | 66 | 68% | 0.677 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -58.5 | -50 | 173.4 | -64.4 | 163.7 | 0 | 0 | 0 | 109.8 | F181 K187 G188 | F181-I185 WeakPolarHBondContact O-CG1 3.47Å; F181-I185 PolarHBondContact O-N 3.27Å; I185-K187 VanDerWaalsContact C-N 3.3Å; I185-K187 PolarHBondContact O-N 3Å; I185-G188 PolarHBondContact O-N 2.87Å |
| 186 | A | 81.5 | Confident | 86.6 | Confident | 89 Ų | 89 | 67 Ų | 67 | 74% | 0.736 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.3 | -23.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D182 R183 G188 | D182-A186 VanDerWaalsContact O-CB 3.29Å; D182-A186 WeakPolarHBondContact O-CB 3.47Å; D182-A186 PolarHBondContact O-N 3.26Å; R183-A186 PolarHBondContact O-N 3.13Å; A186-G188 VanDerWaalsContact C-N 3.34Å |
| 187 | K | 76.1 | Confident | 86.6 | Confident | 98 Ų | 98 | 70.7 Ų | 70.7 | 43% | 0.426 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -75.6 | -22.5 | 176.5 | -170.5 | -177 | 167.7 | -144.6 | 0 | 112.3 | R183 I184 I185 S189 D194 | R183-K187 WeakPolarHBondContact O-CB 3.12Å; R183-K187 PolarHBondContact O-N 3.33Å; I184-K187 PolarHBondContact O-N 3.46Å; I185-K187 VanDerWaalsContact C-N 3.3Å; I185-K187 PolarHBondContact O-N 3Å; K187-S189 WeakPolarHBondContact CD-O 3.16Å; K187-S189 WeakPolarHBondContact CE-O 3.46Å; K187-S189 WeakPolarHBondContact CG-O 3.5Å; K187-S189 PolarHBondContact NZ-O 2.94Å; K187-S189 PolarHBondContact O-N 2.76Å; K187-D194 IonicContact NZ-OD1 3.01Å; K187-D194 PolarHBondContact NZ-OD1 2.76Å; K187-D194 IonicContact NZ-OD2 3.27Å; K187-D194 PolarHBondContact NZ-OD2 3.46Å |
| 188 | G | 70.1 | Confident | 86.7 | Confident | 73 Ų | 73 | 70.5 Ų | 70.5 | 75% | 0.753 | 38% | 0.378 | S | S | * | . | S | Bend | trans | 65.1 | -11.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | I185 A186 | I185-G188 PolarHBondContact O-N 2.87Å; A186-G188 VanDerWaalsContact C-N 3.34Å |
| 189 | S | 75.2 | Confident | 86.8 | Confident | 75 Ų | 75 | 69.3 Ų | 69.3 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | trans | -144.7 | 119.9 | 178.2 | 54.6 | 0 | 0 | 0 | 0 | 110.4 | K187 | K187-S189 WeakPolarHBondContact CD-O 3.16Å; K187-S189 WeakPolarHBondContact CE-O 3.46Å; K187-S189 WeakPolarHBondContact CG-O 3.5Å; K187-S189 PolarHBondContact NZ-O 2.94Å; K187-S189 PolarHBondContact O-N 2.76Å | ||
| 190 | F | 84.1 | Confident | 87 | Confident | 55 Ų | 55 | 71.1 Ų | 71.1 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | trans | -138.5 | 126.7 | -179.2 | -168.1 | -105 | 0 | 0 | 0 | 109.1 | I184 D194 A195 V198 L290 | I184-F190 HydrophobicContact CB-CD2 4.45Å; I184-F190 HydrophobicContact CD1-CD1 4.2Å; I184-F190 HydrophobicContact CD1-CD2 4.05Å; I184-F190 HydrophobicContact CD1-CE1 3.77Å; I184-F190 HydrophobicContact CD1-CE2 3.6Å; I184-F190 HydrophobicContact CD1-CG 4.32Å; I184-F190 HydrophobicContact CD1-CZ 3.45Å; I184-F190 VanDerWaalsContact CD1-CZ 3.45Å; I184-F190 HydrophobicContact CG1-CD1 4.48Å; I184-F190 HydrophobicContact CG1-CD2 3.65Å; I184-F190 HydrophobicContact CG1-CE1 4.42Å; I184-F190 HydrophobicContact CG1-CE2 3.58Å; I184-F190 HydrophobicContact CG1-CG 4.11Å; I184-F190 HydrophobicContact CG1-CZ 3.99Å; I184-F190 HydrophobicContact CG2-CB 3.92Å; I184-F190 HydrophobicContact CG2-CD1 4.17Å; I184-F190 HydrophobicContact CG2-CD2 4.23Å; I184-F190 HydrophobicContact CG2-CG 3.87Å; F190-D194 HydrophobicContact CD2-CB 3.5Å; F190-D194 HydrophobicContact CE1-CB 4.41Å; F190-D194 HydrophobicContact CE2-CB 3.32Å; F190-D194 HydrophobicContact CG-CB 4.15Å; F190-D194 HydrophobicContact CZ-CB 3.81Å; F190-A195 HydrophobicContact CE1-CB 3.67Å; F190-A195 HydrophobicContact CZ-CB 4.12Å; F190-V198 HydrophobicContact CE2-CG2 4.45Å; F190-V198 HydrophobicContact CZ-CG2 4.26Å; F190-L290 HydrophobicContact CE1-CB 4.4Å; F190-L290 HydrophobicContact CE1-CD2 3.8Å; F190-L290 HydrophobicContact CZ-CD2 3.91Å | ||
| 191 | T | 88.9 | Confident | 87.4 | Confident | 74 Ų | 74 | 72.8 Ų | 72.8 | 45% | 0.454 | 38% | 0.38 | S | S | . | . | trans | -109.3 | 162 | -172.1 | 64.3 | 0 | 0 | 0 | 0 | 111.4 | R193 D194 A195 | T191-R193 PolarHBondContact O-N 2.84Å; T191-R193 VanDerWaalsContact O-N 3.09Å; T191-R193 PolarHBondContact OG1-N 2.05Å; T191-D194 WeakPolarHBondContact CB-OD2 3.08Å; T191-D194 PolarHBondContact N-OD2 3Å; T191-D194 WeakPolarHBondContact O-CA 3.24Å; T191-D194 WeakPolarHBondContact O-CB 3.1Å; T191-D194 PolarHBondContact O-N 3.05Å; T191-D194 PolarHBondContact OG1-N 2.94Å; T191-D194 VanDerWaalsContact OG1-N 3.13Å; T191-D194 PolarHBondContact OG1-OD2 2.93Å; T191-A195 PolarHBondContact O-N 3.04Å | ||
| 192 | E | 88.9 | Confident | 88 | Confident | 85 Ų | 85 | 70.4 Ų | 70.4 | 40% | 0.397 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -53.9 | -30.6 | 170.2 | -165.9 | -172.5 | 119.8 | 0 | 0 | 111.9 | A195 T196 L291 G335 G336 | E192-A195 PolarHBondContact O-N 2.86Å; E192-T196 WeakPolarHBondContact O-CB 3.36Å; E192-T196 PolarHBondContact O-N 2.9Å; E192-T196 PolarHBondContact O-OG1 3.03Å; E192-L291 HydrophobicContact CB-CD2 4.43Å; E192-L291 HydrophobicContact CG-CD2 3.83Å; E192-G335 WeakPolarHBondContact OE1-CA 3.47Å; E192-G336 PolarHBondContact OE1-N 2.9Å; E192-G336 PolarHBondContact OE2-N 3.34Å |
| 193 | R | 90.6 | Very high | 88.5 | Confident | 215 Ų | 215 | 69.4 Ų | 69.4 | 81% | 0.811 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -70.8 | -38.3 | 174.9 | -170.5 | 178.6 | -176.6 | -179.1 | 2.3 | 112.8 | T191 R197 | T191-R193 PolarHBondContact O-N 2.84Å; T191-R193 VanDerWaalsContact O-N 3.09Å; T191-R193 PolarHBondContact OG1-N 2.05Å; R193-R197 PolarHBondContact O-N 3.45Å; R193-R197 VanDerWaalsContact O-N 3.15Å |
| 194 | D | 90.6 | Very high | 89.2 | Confident | 48 Ų | 48 | 70.3 Ų | 70.3 | 26% | 0.257 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 170.9 | -62.5 | -79.4 | 0 | 0 | 0 | 110.5 | K187 F190 T191 T196 R197 V198 | K187-D194 IonicContact NZ-OD1 3.01Å; K187-D194 PolarHBondContact NZ-OD1 2.76Å; K187-D194 IonicContact NZ-OD2 3.27Å; K187-D194 PolarHBondContact NZ-OD2 3.46Å; F190-D194 HydrophobicContact CD2-CB 3.5Å; F190-D194 HydrophobicContact CE1-CB 4.41Å; F190-D194 HydrophobicContact CE2-CB 3.32Å; F190-D194 HydrophobicContact CG-CB 4.15Å; F190-D194 HydrophobicContact CZ-CB 3.81Å; T191-D194 WeakPolarHBondContact CB-OD2 3.08Å; T191-D194 PolarHBondContact N-OD2 3Å; T191-D194 WeakPolarHBondContact O-CA 3.24Å; T191-D194 WeakPolarHBondContact O-CB 3.1Å; T191-D194 PolarHBondContact O-N 3.05Å; T191-D194 PolarHBondContact OG1-N 2.94Å; T191-D194 VanDerWaalsContact OG1-N 3.13Å; T191-D194 PolarHBondContact OG1-OD2 2.93Å; D194-T196 VanDerWaalsContact C-N 3.35Å; D194-T196 PolarHBondContact O-N 2.89Å; D194-R197 PolarHBondContact O-N 3.09Å; D194-R197 VanDerWaalsContact O-N 3.16Å; D194-V198 WeakPolarHBondContact O-CG2 3.11Å; D194-V198 PolarHBondContact O-N 3.13Å |
| 195 | A | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.7 | -47.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F190 T191 E192 R197 V198 L199 L290 L291 | F190-A195 HydrophobicContact CE1-CB 3.67Å; F190-A195 HydrophobicContact CZ-CB 4.12Å; T191-A195 PolarHBondContact O-N 3.04Å; E192-A195 PolarHBondContact O-N 2.86Å; A195-R197 PolarHBondContact O-N 2.67Å; A195-V198 PolarHBondContact O-N 2.94Å; A195-L199 WeakPolarHBondContact O-CB 3.11Å; A195-L199 VanDerWaalsContact O-CG 3.31Å; A195-L199 WeakPolarHBondContact O-CG 3.37Å; A195-L199 PolarHBondContact O-N 2.77Å; A195-L290 HydrophobicContact CB-CB 4.2Å; A195-L291 HydrophobicContact CB-CD2 3.85Å |
| 196 | T | 93.8 | Very high | 90.6 | Very high | 43 Ų | 43 | 62.5 Ų | 62.5 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.3 | -45.8 | 176 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | E192 D194 L199 Q200 | E192-T196 WeakPolarHBondContact O-CB 3.36Å; E192-T196 PolarHBondContact O-N 2.9Å; E192-T196 PolarHBondContact O-OG1 3.03Å; D194-T196 VanDerWaalsContact C-N 3.35Å; D194-T196 PolarHBondContact O-N 2.89Å; T196-L199 PolarHBondContact O-N 2.91Å; T196-Q200 HydrophobicContact CG2-CG 4.45Å; T196-Q200 WeakPolarHBondContact O-CB 3.44Å; T196-Q200 VanDerWaalsContact O-CG 3.27Å; T196-Q200 WeakPolarHBondContact O-CG 3.49Å; T196-Q200 PolarHBondContact O-N 2.85Å |
| 197 | R | 93.8 | Very high | 91.4 | Very high | 149 Ų | 149 | 65.4 Ų | 65.4 | 56% | 0.562 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.6 | -38.8 | 179.8 | -170.1 | 179.1 | -177.3 | 169.2 | 0.6 | 112.5 | R193 D194 A195 M201 | R193-R197 PolarHBondContact O-N 3.45Å; R193-R197 VanDerWaalsContact O-N 3.15Å; D194-R197 PolarHBondContact O-N 3.09Å; D194-R197 VanDerWaalsContact O-N 3.16Å; A195-R197 PolarHBondContact O-N 2.67Å; R197-M201 HydrophobicContact CG-CE 4.44Å; R197-M201 WeakPolarHBondContact O-CE 3.45Å; R197-M201 PolarHBondContact O-N 2.87Å |
| 198 | V | 94.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 63.6 Ų | 63.6 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.2 | -53.9 | 171.7 | 166.7 | 0 | 0 | 0 | 0 | 110.1 | L180 F190 D194 A195 Q200 M201 V202 Y226 I235 L290 | L180-V198 HydrophobicContact CD1-CG1 3.71Å; L180-V198 HydrophobicContact CD1-CG2 4.17Å; L180-V198 HydrophobicContact CD2-CG1 4.05Å; F190-V198 HydrophobicContact CE2-CG2 4.45Å; F190-V198 HydrophobicContact CZ-CG2 4.26Å; D194-V198 WeakPolarHBondContact O-CG2 3.11Å; D194-V198 PolarHBondContact O-N 3.13Å; A195-V198 PolarHBondContact O-N 2.94Å; V198-Q200 VanDerWaalsContact C-N 3.33Å; V198-Q200 PolarHBondContact O-N 2.72Å; V198-M201 PolarHBondContact O-N 2.95Å; V198-M201 VanDerWaalsContact O-N 3.16Å; V198-V202 WeakPolarHBondContact O-CG2 3.42Å; V198-V202 PolarHBondContact O-N 2.9Å; V198-V202 VanDerWaalsContact O-N 3.12Å; V198-Y226 WeakPolarHBondContact CG2-OH 3.26Å; V198-I235 HydrophobicContact CG1-CG1 4.36Å; V198-L290 HydrophobicContact CG1-CD1 3.99Å |
| 199 | L | 96.4 | Very high | 93.7 | Very high | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.5 | -40 | -176.8 | -72.3 | 169.2 | 0 | 0 | 0 | 112.3 | A195 T196 M201 V202 L203 A287 L290 I339 | A195-L199 WeakPolarHBondContact O-CB 3.11Å; A195-L199 VanDerWaalsContact O-CG 3.31Å; A195-L199 WeakPolarHBondContact O-CG 3.37Å; A195-L199 PolarHBondContact O-N 2.77Å; T196-L199 PolarHBondContact O-N 2.91Å; L199-M201 PolarHBondContact O-N 3.42Å; L199-V202 PolarHBondContact O-N 3.07Å; L199-L203 VanDerWaalsContact O-CB 3.27Å; L199-L203 WeakPolarHBondContact O-CB 3.48Å; L199-L203 WeakPolarHBondContact O-CD1 3.31Å; L199-L203 VanDerWaalsContact O-CG 3.24Å; L199-L203 WeakPolarHBondContact O-CG 3.33Å; L199-L203 PolarHBondContact O-N 2.95Å; L199-A287 HydrophobicContact CD1-CB 3.69Å; L199-A287 HydrophobicContact CD2-CB 3.79Å; L199-A287 HydrophobicContact CG-CB 4.42Å; L199-L290 HydrophobicContact CD1-CD1 4.44Å; L199-L290 HydrophobicContact CD2-CD1 3.9Å; L199-L290 HydrophobicContact CG-CD1 3.92Å; L199-I339 HydrophobicContact CD1-CG2 4.07Å |
| 200 | Q | 97.6 | Very high | 94.7 | Very high | 113 Ų | 113 | 58.2 Ų | 58.2 | 53% | 0.528 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.9 | -49 | 173.9 | -76.1 | 169.8 | -29.3 | 0 | 0 | 112.3 | T196 V198 V202 L203 D204 | T196-Q200 HydrophobicContact CG2-CG 4.45Å; T196-Q200 WeakPolarHBondContact O-CB 3.44Å; T196-Q200 VanDerWaalsContact O-CG 3.27Å; T196-Q200 WeakPolarHBondContact O-CG 3.49Å; T196-Q200 PolarHBondContact O-N 2.85Å; V198-Q200 VanDerWaalsContact C-N 3.33Å; V198-Q200 PolarHBondContact O-N 2.72Å; Q200-V202 VanDerWaalsContact C-N 3.33Å; Q200-V202 PolarHBondContact O-N 2.86Å; Q200-L203 PolarHBondContact O-N 3.48Å; Q200-D204 PolarHBondContact O-N 3.32Å |
| 201 | M | 97.8 | Very high | 95.2 | Very high | 35 Ų | 35 | 59.8 Ų | 59.8 | 17% | 0.172 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 179.2 | -73.9 | -171.9 | -69 | 0 | 0 | 113.5 | N154 R197 V198 L199 G205 K234 I235 | N154-M201 VanDerWaalsContact CB-O 3.28Å; N154-M201 WeakPolarHBondContact CB-O 3.39Å; N154-M201 VanDerWaalsContact CG-O 3.27Å; R197-M201 HydrophobicContact CG-CE 4.44Å; R197-M201 WeakPolarHBondContact O-CE 3.45Å; R197-M201 PolarHBondContact O-N 2.87Å; V198-M201 PolarHBondContact O-N 2.95Å; V198-M201 VanDerWaalsContact O-N 3.16Å; L199-M201 PolarHBondContact O-N 3.42Å; M201-G205 PolarHBondContact O-N 3.1Å; M201-K234 HydrophobicContact SD-CB 4.28Å; M201-I235 HydrophobicContact CB-CB 4.32Å; M201-I235 HydrophobicContact CE-CB 4.28Å; M201-I235 HydrophobicContact CE-CG1 3.76Å |
| 202 | V | 98 | Very high | 95.4 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.4 | -43.6 | 176.2 | -173.5 | 0 | 0 | 0 | 0 | 110.5 | V198 L199 Q200 D204 G205 V206 L224 I235 I237 L283 | V198-V202 WeakPolarHBondContact O-CG2 3.42Å; V198-V202 PolarHBondContact O-N 2.9Å; V198-V202 VanDerWaalsContact O-N 3.12Å; L199-V202 PolarHBondContact O-N 3.07Å; Q200-V202 VanDerWaalsContact C-N 3.33Å; Q200-V202 PolarHBondContact O-N 2.86Å; V202-D204 VanDerWaalsContact C-N 3.31Å; V202-D204 PolarHBondContact O-N 2.84Å; V202-G205 PolarHBondContact O-N 2.9Å; V202-G205 VanDerWaalsContact O-N 3.14Å; V202-V206 HydrophobicContact CG1-CG2 4.19Å; V202-V206 WeakPolarHBondContact O-CG2 3.43Å; V202-V206 PolarHBondContact O-N 3.42Å; V202-L224 HydrophobicContact CG1-CD1 4.33Å; V202-L224 HydrophobicContact CG1-CD2 3.82Å; V202-L224 HydrophobicContact CG2-CD1 4.04Å; V202-L224 HydrophobicContact CG2-CD2 3.95Å; V202-I235 HydrophobicContact CG2-CG2 3.73Å; V202-I237 HydrophobicContact CG1-CD1 4.19Å; V202-I237 HydrophobicContact CG1-CG1 4.31Å; V202-L283 HydrophobicContact CB-CD2 4.3Å; V202-L283 HydrophobicContact CG1-CD2 3.46Å; V202-L283 VanDerWaalsContact CG1-CD2 3.46Å |
| 203 | L | 98.1 | Very high | 95.6 | Very high | 75 Ų | 75 | 55.8 Ų | 55.8 | 39% | 0.393 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58 | -40.4 | 176.6 | -78.8 | 164.4 | 0 | 0 | 0 | 112.1 | L199 Q200 V206 R207 M280 L283 | L199-L203 VanDerWaalsContact O-CB 3.27Å; L199-L203 WeakPolarHBondContact O-CB 3.48Å; L199-L203 WeakPolarHBondContact O-CD1 3.31Å; L199-L203 VanDerWaalsContact O-CG 3.24Å; L199-L203 WeakPolarHBondContact O-CG 3.33Å; L199-L203 PolarHBondContact O-N 2.95Å; Q200-L203 PolarHBondContact O-N 3.48Å; L203-V206 PolarHBondContact O-N 2.86Å; L203-R207 WeakPolarHBondContact O-CB 3.45Å; L203-R207 PolarHBondContact O-N 3.26Å; L203-M280 HydrophobicContact CD2-CE 3.79Å; L203-L283 HydrophobicContact CD2-CD1 3.72Å; L203-L283 HydrophobicContact CG-CD1 4.4Å |
| 204 | D | 98.3 | Very high | 95.9 | Very high | 64 Ų | 64 | 45.5 Ų | 45.5 | 34% | 0.342 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 175.3 | -85.2 | -39.6 | 0 | 0 | 0 | 112.9 | Q200 V202 R207 Y208 | Q200-D204 PolarHBondContact O-N 3.32Å; V202-D204 VanDerWaalsContact C-N 3.31Å; V202-D204 PolarHBondContact O-N 2.84Å; D204-R207 IonicContact OD1-CZ 2.69Å; D204-R207 VanDerWaalsContact OD1-CZ 3.27Å; D204-R207 IonicContact OD1-NE 2.68Å; D204-R207 PolarHBondContact OD1-NE 3.07Å; D204-R207 IonicContact OD1-NH2 3.34Å; D204-R207 PolarHBondContact OD1-NH2 3.29Å; D204-Y208 WeakPolarHBondContact O-CB 3.45Å; D204-Y208 PolarHBondContact O-N 3.32Å |
| 205 | G | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M201 V202 Y208 L209 | M201-G205 PolarHBondContact O-N 3.1Å; V202-G205 PolarHBondContact O-N 2.9Å; V202-G205 VanDerWaalsContact O-N 3.14Å; G205-Y208 PolarHBondContact O-N 3.4Å; G205-L209 WeakPolarHBondContact O-CG 3.24Å; G205-L209 PolarHBondContact O-N 2.8Å |
| 206 | V | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.3 | -42.6 | 178.8 | 174 | 0 | 0 | 0 | 0 | 111.4 | V202 L203 Y208 L209 H210 L219 I237 D279 M280 L283 | V202-V206 HydrophobicContact CG1-CG2 4.19Å; V202-V206 WeakPolarHBondContact O-CG2 3.43Å; V202-V206 PolarHBondContact O-N 3.42Å; L203-V206 PolarHBondContact O-N 2.86Å; V206-Y208 VanDerWaalsContact C-N 3.3Å; V206-Y208 PolarHBondContact O-N 3.01Å; V206-L209 WeakPolarHBondContact O-CB 3.27Å; V206-L209 PolarHBondContact O-N 3.2Å; V206-L209 VanDerWaalsContact O-N 3.15Å; V206-H210 VanDerWaalsContact CG1-CE1 3.41Å; V206-H210 WeakPolarHBondContact CG1-CE1 3.34Å; V206-H210 WeakPolarHBondContact CG1-NE2 3.44Å; V206-H210 WeakPolarHBondContact O-CB 3.43Å; V206-H210 PolarHBondContact O-CD2 3.15Å; V206-H210 VanDerWaalsContact O-CD2 3.27Å; V206-H210 VanDerWaalsContact O-CG 3.26Å; V206-H210 PolarHBondContact O-N 3.01Å; V206-L219 HydrophobicContact CG2-CD1 3.66Å; V206-L219 HydrophobicContact CG2-CD2 4.36Å; V206-I237 HydrophobicContact CG2-CD1 3.84Å; V206-D279 HydrophobicContact CG1-CB 4.18Å; V206-M280 HydrophobicContact CG1-SD 4.38Å; V206-L283 HydrophobicContact CB-CD1 4.28Å; V206-L283 HydrophobicContact CG1-CD1 4.18Å; V206-L283 HydrophobicContact CG2-CD1 4.15Å |
| 207 | R | 97.7 | Very high | 96.4 | Very high | 151 Ų | 151 | 43.4 Ų | 43.4 | 57% | 0.57 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -56 | -42.7 | 172.4 | -179.4 | 179.6 | 63.9 | 73.6 | -1.9 | 111.8 | L203 D204 A211 | L203-R207 WeakPolarHBondContact O-CB 3.45Å; L203-R207 PolarHBondContact O-N 3.26Å; D204-R207 IonicContact OD1-CZ 2.69Å; D204-R207 VanDerWaalsContact OD1-CZ 3.27Å; D204-R207 IonicContact OD1-NE 2.68Å; D204-R207 PolarHBondContact OD1-NE 3.07Å; D204-R207 IonicContact OD1-NH2 3.34Å; D204-R207 PolarHBondContact OD1-NH2 3.29Å; R207-A211 WeakPolarHBondContact O-CB 3.24Å; R207-A211 PolarHBondContact O-N 3.22Å |
| 208 | Y | 98.1 | Very high | 96.4 | Very high | 59 Ų | 59 | 37.4 Ų | 37.4 | 23% | 0.231 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.4 | -44.5 | 175 | 174.9 | -85.6 | 0 | 0 | 0 | 112.4 | V150 R151 H152 I155 D204 G205 V206 A211 L212 | V150-Y208 HydrophobicContact CB-CE1 3.98Å; V150-Y208 HydrophobicContact CG1-CE1 4.09Å; R151-Y208 PolarHBondContact N-OH 2.89Å; R151-Y208 PolarHBondContact O-OH 2.83Å; H152-Y208 HydrophobicContact CB-CD1 3.81Å; H152-Y208 HydrophobicContact CB-CD2 4.13Å; H152-Y208 HydrophobicContact CB-CE1 3.95Å; H152-Y208 HydrophobicContact CB-CE2 4.27Å; H152-Y208 HydrophobicContact CB-CG 3.89Å; H152-Y208 AromaticContact CD2-CD2 3.84Å; H152-Y208 AromaticContact CD2-CG 3.96Å; H152-Y208 AromaticContact CG-CG 3.92Å; I155-Y208 HydrophobicContact CD1-CD1 3.46Å; I155-Y208 VanDerWaalsContact CD1-CD1 3.46Å; I155-Y208 HydrophobicContact CD1-CE1 3.98Å; I155-Y208 HydrophobicContact CD1-CG 4.4Å; D204-Y208 WeakPolarHBondContact O-CB 3.45Å; D204-Y208 PolarHBondContact O-N 3.32Å; G205-Y208 PolarHBondContact O-N 3.4Å; V206-Y208 VanDerWaalsContact C-N 3.3Å; V206-Y208 PolarHBondContact O-N 3.01Å; Y208-A211 PolarHBondContact O-N 2.8Å; Y208-L212 HydrophobicContact CD1-CD1 4.14Å; Y208-L212 HydrophobicContact CE1-CD1 3.46Å; Y208-L212 VanDerWaalsContact CE1-CD1 3.46Å; Y208-L212 HydrophobicContact CE1-CG 4.46Å; Y208-L212 PolarHBondContact O-N 2.8Å |
| 209 | L | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.9 | -47.5 | 175.2 | -71.8 | 165.4 | 0 | 0 | 0 | 111.4 | V146 V150 I155 G205 V206 A211 L212 G213 I214 F240 | V146-L209 HydrophobicContact CG1-CD2 4.39Å; V150-L209 HydrophobicContact CG1-CD2 3.84Å; I155-L209 HydrophobicContact CD1-CD1 4.24Å; I155-L209 HydrophobicContact CD1-CD2 3.87Å; I155-L209 HydrophobicContact CD1-CG 3.71Å; G205-L209 WeakPolarHBondContact O-CG 3.24Å; G205-L209 PolarHBondContact O-N 2.8Å; V206-L209 WeakPolarHBondContact O-CB 3.27Å; V206-L209 PolarHBondContact O-N 3.2Å; V206-L209 VanDerWaalsContact O-N 3.15Å; L209-A211 VanDerWaalsContact C-N 3.35Å; L209-A211 PolarHBondContact O-N 2.94Å; L209-L212 PolarHBondContact O-N 2.84Å; L209-G213 PolarHBondContact O-N 3.47Å; L209-I214 CarbonylContact C-O 3.54Å; L209-I214 VanDerWaalsContact C-O 3.28Å; L209-I214 HydrophobicContact CB-CB 4.29Å; L209-I214 HydrophobicContact CD2-CB 4.18Å; L209-I214 HydrophobicContact CD2-CD1 4.45Å; L209-I214 HydrophobicContact CD2-CG2 3.9Å; L209-I214 WeakPolarHBondContact O-CA 3.29Å; L209-I214 WeakPolarHBondContact O-CB 3.33Å; L209-I214 PolarHBondContact O-N 3.33Å; L209-F240 HydrophobicContact CD1-CE1 3.79Å; L209-F240 HydrophobicContact CD1-CZ 4.31Å; L209-F240 HydrophobicContact CD2-CE1 3.63Å; L209-F240 HydrophobicContact CD2-CZ 4.06Å; L209-F240 HydrophobicContact CG-CE1 4.38Å |
| 210 | H | 95.7 | Very high | 96.4 | Very high | 35 Ų | 35 | 38 Ų | 38 | 16% | 0.162 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -40.5 | -177.9 | -70.3 | -167.4 | 0 | 0 | 0 | 111.7 | V206 L212 G213 I214 N276 D279 | V206-H210 VanDerWaalsContact CG1-CE1 3.41Å; V206-H210 WeakPolarHBondContact CG1-CE1 3.34Å; V206-H210 WeakPolarHBondContact CG1-NE2 3.44Å; V206-H210 WeakPolarHBondContact O-CB 3.43Å; V206-H210 PolarHBondContact O-CD2 3.15Å; V206-H210 VanDerWaalsContact O-CD2 3.27Å; V206-H210 VanDerWaalsContact O-CG 3.26Å; V206-H210 PolarHBondContact O-N 3.01Å; H210-L212 PolarHBondContact O-N 3.19Å; H210-G213 PolarHBondContact O-N 3.15Å; H210-I214 PolarHBondContact CD2-O 3.02Å; H210-I214 VanDerWaalsContact CD2-O 3.31Å; H210-I214 PolarHBondContact N-O 3.49Å; H210-N276 PolarHBondContact CE1-O 2.95Å; H210-N276 PolarHBondContact ND1-ND2 2.97Å; H210-D279 IonicContact CD2-OD2 3.68Å; H210-D279 IonicContact CE1-OD2 3.81Å; H210-D279 IonicContact NE2-OD2 2.78Å; H210-D279 PolarHBondContact NE2-OD2 3.13Å |
| 211 | A | 94.6 | Very high | 96.1 | Very high | 88 Ų | 88 | 32.8 Ų | 32.8 | 73% | 0.727 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -62.4 | -25.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | R207 Y208 L209 G213 | R207-A211 WeakPolarHBondContact O-CB 3.24Å; R207-A211 PolarHBondContact O-N 3.22Å; Y208-A211 PolarHBondContact O-N 2.8Å; L209-A211 VanDerWaalsContact C-N 3.35Å; L209-A211 PolarHBondContact O-N 2.94Å; A211-G213 VanDerWaalsContact C-N 3.31Å |
| 212 | L | 93.9 | Very high | 95.8 | Very high | 55 Ų | 55 | 34.5 Ų | 34.5 | 29% | 0.288 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 2.6 | 172.2 | -66.1 | 178 | 0 | 0 | 0 | 113.6 | R149 V150 Y208 L209 H210 I214 | R149-L212 PolarHBondContact NH2-O 3.28Å; V150-L212 HydrophobicContact CG1-CD1 4.11Å; Y208-L212 HydrophobicContact CD1-CD1 4.14Å; Y208-L212 HydrophobicContact CE1-CD1 3.46Å; Y208-L212 VanDerWaalsContact CE1-CD1 3.46Å; Y208-L212 HydrophobicContact CE1-CG 4.46Å; Y208-L212 PolarHBondContact O-N 2.8Å; L209-L212 PolarHBondContact O-N 2.84Å; H210-L212 PolarHBondContact O-N 3.19Å; L212-I214 VanDerWaalsContact C-N 3.33Å; L212-I214 HydrophobicContact CB-CD1 3.86Å; L212-I214 HydrophobicContact CB-CG1 3.97Å; L212-I214 HydrophobicContact CD1-CD1 4.22Å |
| 213 | G | 93.3 | Very high | 95.6 | Very high | 20 Ų | 20 | 35 Ų | 35 | 21% | 0.206 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 30.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L209 H210 A211 R246 | L209-G213 PolarHBondContact O-N 3.47Å; H210-G213 PolarHBondContact O-N 3.15Å; A211-G213 VanDerWaalsContact C-N 3.31Å; G213-R246 WeakPolarHBondContact O-CB 3.25Å; G213-R246 PolarHBondContact O-N 3.46Å |
| 214 | I | 95.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134.7 | 179.8 | -53.4 | 174.7 | 0 | 0 | 0 | 109.1 | V146 V150 L209 H210 L212 S244 A245 | V146-I214 HydrophobicContact CG1-CD1 4.17Å; V146-I214 HydrophobicContact CG1-CG2 4.05Å; V146-I214 HydrophobicContact CG2-CD1 4.46Å; V146-I214 HydrophobicContact CG2-CG2 3.72Å; V150-I214 HydrophobicContact CG1-CD1 3.91Å; L209-I214 CarbonylContact C-O 3.54Å; L209-I214 VanDerWaalsContact C-O 3.28Å; L209-I214 HydrophobicContact CB-CB 4.29Å; L209-I214 HydrophobicContact CD2-CB 4.18Å; L209-I214 HydrophobicContact CD2-CD1 4.45Å; L209-I214 HydrophobicContact CD2-CG2 3.9Å; L209-I214 WeakPolarHBondContact O-CA 3.29Å; L209-I214 WeakPolarHBondContact O-CB 3.33Å; L209-I214 PolarHBondContact O-N 3.33Å; H210-I214 PolarHBondContact CD2-O 3.02Å; H210-I214 VanDerWaalsContact CD2-O 3.31Å; H210-I214 PolarHBondContact N-O 3.49Å; L212-I214 VanDerWaalsContact C-N 3.33Å; L212-I214 HydrophobicContact CB-CD1 3.86Å; L212-I214 HydrophobicContact CB-CG1 3.97Å; L212-I214 HydrophobicContact CD1-CD1 4.22Å; I214-S244 CarbonylContact C-O 3.46Å; I214-S244 VanDerWaalsContact CA-O 3.27Å; I214-S244 WeakPolarHBondContact CA-O 3.44Å; I214-A245 HydrophobicContact CG1-CB 4.14Å |
| 215 | T | 95.8 | Very high | 95.5 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 134.5 | 175.7 | -51 | 0 | 0 | 0 | 0 | 108.7 | R217 A243 S244 M254 N276 V278 D279 | T215-R217 HydrophobicContact CG2-CG 3.74Å; T215-A243 CarbonylContact O-C 3.55Å; T215-A243 VanDerWaalsContact O-CA 3.26Å; T215-A243 WeakPolarHBondContact O-CA 3.42Å; T215-A243 WeakPolarHBondContact O-CB 3.4Å; T215-S244 PolarHBondContact N-O 3.33Å; T215-S244 PolarHBondContact O-N 3.35Å; T215-M254 HydrophobicContact CG2-CE 4.07Å; T215-M254 HydrophobicContact CG2-SD 4.42Å; T215-N276 HydrophobicContact CG2-CB 4.22Å; T215-V278 HydrophobicContact CG2-CG2 3.87Å; T215-D279 WeakPolarHBondContact CA-OD2 3.28Å; T215-D279 VanDerWaalsContact CG2-OD2 3.31Å; T215-D279 WeakPolarHBondContact CG2-OD2 3.16Å |
| 216 | H | 96.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | trans | -78.3 | -44.2 | -172.6 | -161.2 | -84.7 | 0 | 0 | 0 | 112.6 | D218 L219 I237 T238 D239 F240 A243 D279 | H216-D218 VanDerWaalsContact ND1-C 3.34Å; H216-D218 PolarHBondContact ND1-O 3.17Å; H216-D218 PolarHBondContact O-N 3.26Å; H216-L219 HydrophobicContact CB-CD1 4.44Å; H216-L219 HydrophobicContact CB-CD2 4Å; H216-L219 HydrophobicContact CB-CG 3.82Å; H216-L219 PolarHBondContact ND1-N 2.85Å; H216-I237 WeakPolarHBondContact NE2-CG2 3.29Å; H216-T238 PolarHBondContact CE1-O 3.5Å; H216-T238 PolarHBondContact NE2-O 2.93Å; H216-D239 PolarHBondContact CE1-O 3.35Å; H216-F240 AromaticContact CD2-CD1 3.62Å; H216-F240 AromaticContact CD2-CE1 3.45Å; H216-F240 VanDerWaalsContact CD2-CE1 3.45Å; H216-F240 WeakPolarHBondContact CD2-CE1 3.13Å; H216-F240 AromaticContact NE2-CD1 3.84Å; H216-F240 AromaticContact NE2-CE1 3.84Å; H216-A243 WeakPolarHBondContact O-CA 3.39Å; H216-D279 WeakPolarHBondContact CB-OD1 3.48Å; H216-D279 PolarHBondContact N-OD1 2.87Å; H216-D279 PolarHBondContact N-OD2 3.36Å | ||
| 217 | R | 95 | Very high | 95.3 | Very high | 41 Ų | 41 | 34.9 Ų | 34.9 | 16% | 0.155 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 62.3 | -2.9 | 178.2 | -51.8 | -169.1 | -64.9 | 179.8 | -4.5 | 117.3 | T215 L242 A243 G259 Y274 V278 D279 | T215-R217 HydrophobicContact CG2-CG 3.74Å; R217-L242 VanDerWaalsContact CZ-O 3.25Å; R217-L242 PolarHBondContact NE-O 3.41Å; R217-L242 PolarHBondContact NH2-O 2.93Å; R217-A243 PolarHBondContact NH2-O 3.28Å; R217-G259 WeakPolarHBondContact O-CA 3.42Å; R217-Y274 VanDerWaalsContact CD-OH 3.31Å; R217-Y274 WeakPolarHBondContact CD-OH 3.12Å; R217-Y274 HydrophobicContact CG-CE2 4.46Å; R217-Y274 PolarHBondContact NH1-OH 3.39Å; R217-V278 HydrophobicContact CG-CG2 4.24Å; R217-D279 PolarHBondContact N-OD1 2.78Å |
| 218 | D | 95.1 | Very high | 95.2 | Very high | 22 Ų | 22 | 30.2 Ų | 30.2 | 12% | 0.118 | 16% | 0.158 | C | C | . | . | trans | -141.8 | 49.2 | 171.6 | -159.9 | 40.5 | 0 | 0 | 0 | 110.5 | H216 N223 L242 T260 | H216-D218 VanDerWaalsContact ND1-C 3.34Å; H216-D218 PolarHBondContact ND1-O 3.17Å; H216-D218 PolarHBondContact O-N 3.26Å; D218-N223 PolarHBondContact O-ND2 3.06Å; D218-L242 HydrophobicContact CB-CB 4.21Å; D218-L242 HydrophobicContact CB-CD1 3.94Å; D218-T260 WeakPolarHBondContact OD1-CB 3.35Å; D218-T260 PolarHBondContact OD1-N 3.21Å; D218-T260 PolarHBondContact OD1-OG1 2.98Å | ||
| 219 | L | 96.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | trans | -72.9 | 127.1 | 170.1 | -73.1 | 175.1 | 0 | 0 | 0 | 109.4 | V206 H216 I237 D279 A282 L283 I286 | V206-L219 HydrophobicContact CG2-CD1 3.66Å; V206-L219 HydrophobicContact CG2-CD2 4.36Å; H216-L219 HydrophobicContact CB-CD1 4.44Å; H216-L219 HydrophobicContact CB-CD2 4Å; H216-L219 HydrophobicContact CB-CG 3.82Å; H216-L219 PolarHBondContact ND1-N 2.85Å; L219-I237 HydrophobicContact CD2-CG2 3.98Å; L219-D279 HydrophobicContact CD1-CB 3.71Å; L219-A282 HydrophobicContact CB-CB 3.88Å; L219-L283 HydrophobicContact CD1-CD2 4.15Å; L219-L283 HydrophobicContact CD1-CG 4.04Å; L219-I286 HydrophobicContact CB-CD1 4.45Å | ||
| 220 | K | 93.8 | Very high | 94.5 | Very high | 29 Ų | 29 | 33.5 Ų | 33.5 | 13% | 0.126 | 19% | 0.192 | C | C | . | . | trans | -167.5 | 163 | -177.5 | 60.1 | -175.7 | -169.4 | 153.6 | 0 | 110.1 | E222 N223 T260 Y263 | K220-E222 VanDerWaalsContact C-N 3.28Å; K220-E222 WeakPolarHBondContact CB-OE2 3.31Å; K220-E222 WeakPolarHBondContact CD-OE1 3.41Å; K220-E222 WeakPolarHBondContact CD-OE2 3.47Å; K220-E222 WeakPolarHBondContact CE-OE1 3.43Å; K220-E222 WeakPolarHBondContact CG-OE2 3.47Å; K220-E222 IonicContact NZ-OE1 2.73Å; K220-E222 PolarHBondContact NZ-OE1 2.99Å; K220-E222 PolarHBondContact O-N 3.14Å; K220-N223 HydrophobicContact CG-CB 4.1Å; K220-N223 PolarHBondContact O-N 3.14Å; K220-T260 HydrophobicContact CD-CG2 4.06Å; K220-T260 VanDerWaalsContact CD-OG1 3.27Å; K220-T260 WeakPolarHBondContact CD-OG1 3.48Å; K220-T260 WeakPolarHBondContact CE-OG1 3.49Å; K220-T260 PolarHBondContact NZ-OG1 2.86Å; K220-Y263 HydrophobicContact CB-CD1 4.29Å; K220-Y263 HydrophobicContact CB-CD2 3.81Å; K220-Y263 HydrophobicContact CB-CE1 4.39Å; K220-Y263 HydrophobicContact CB-CE2 3.92Å; K220-Y263 HydrophobicContact CB-CG 4.03Å | ||
| 221 | P | 90.8 | Very high | 94 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.032 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -54.8 | -37.5 | -175 | -25.8 | 34.4 | 0 | 0 | 0 | 114.6 | F181 N223 L224 Y263 | F181-P221 HydrophobicContact CD1-CB 4.28Å; F181-P221 HydrophobicContact CD2-CB 3.72Å; F181-P221 HydrophobicContact CD2-CG 3.68Å; F181-P221 HydrophobicContact CE1-CB 4.3Å; F181-P221 HydrophobicContact CE1-CG 4.09Å; F181-P221 HydrophobicContact CE2-CB 3.77Å; F181-P221 HydrophobicContact CE2-CG 3.18Å; F181-P221 HydrophobicContact CG-CB 3.98Å; F181-P221 HydrophobicContact CG-CG 4.32Å; F181-P221 HydrophobicContact CZ-CB 4.05Å; F181-P221 HydrophobicContact CZ-CG 3.4Å; F181-P221 VanDerWaalsContact CZ-CG 3.4Å; P221-N223 PolarHBondContact O-N 2.85Å; P221-L224 PolarHBondContact O-N 3.41Å; P221-L224 VanDerWaalsContact O-N 3.07Å; P221-Y263 VanDerWaalsContact CD-OH 3.24Å; P221-Y263 WeakPolarHBondContact CD-OH 3.5Å; P221-Y263 HydrophobicContact CG-CE1 4.25Å; P221-Y263 WeakPolarHBondContact CG-OH 3.39Å |
| 222 | E | 91.3 | Very high | 93.8 | Very high | 71 Ų | 71 | 39.5 Ų | 39.5 | 33% | 0.332 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -67.4 | -24 | 179.9 | -41.4 | 95.9 | 98.2 | 0 | 0 | 112.3 | E179 K220 L224 | E179-E222 WeakPolarHBondContact OE2-CA 3.42Å; E179-E222 WeakPolarHBondContact OE2-CB 2.81Å; K220-E222 VanDerWaalsContact C-N 3.28Å; K220-E222 WeakPolarHBondContact CB-OE2 3.31Å; K220-E222 WeakPolarHBondContact CD-OE1 3.41Å; K220-E222 WeakPolarHBondContact CD-OE2 3.47Å; K220-E222 WeakPolarHBondContact CE-OE1 3.43Å; K220-E222 WeakPolarHBondContact CG-OE2 3.47Å; K220-E222 IonicContact NZ-OE1 2.73Å; K220-E222 PolarHBondContact NZ-OE1 2.99Å; K220-E222 PolarHBondContact O-N 3.14Å; E222-L224 VanDerWaalsContact C-N 3.35Å |
| 223 | N | 95.4 | Very high | 93.9 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -94 | 10.3 | 176.9 | -73.1 | -19.5 | 0 | 0 | 0 | 112.7 | D218 K220 P221 T238 | D218-N223 PolarHBondContact O-ND2 3.06Å; K220-N223 HydrophobicContact CG-CB 4.1Å; K220-N223 PolarHBondContact O-N 3.14Å; P221-N223 PolarHBondContact O-N 2.85Å; N223-T238 WeakPolarHBondContact CA-OG1 3.36Å; N223-T238 WeakPolarHBondContact CB-O 3.3Å; N223-T238 PolarHBondContact O-N 2.94Å; N223-T238 PolarHBondContact O-OG1 3Å |
| 224 | L | 97.1 | Very high | 94 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 93.6 | 177.8 | -64.7 | 179.9 | 0 | 0 | 0 | 110.2 | L180 V202 P221 E222 I235 I237 I286 | L180-L224 HydrophobicContact CB-CB 4.15Å; L180-L224 WeakPolarHBondContact CB-O 3.39Å; L180-L224 HydrophobicContact CD2-CB 4.27Å; L180-L224 HydrophobicContact CD2-CD1 3.83Å; L180-L224 PolarHBondContact N-O 2.99Å; V202-L224 HydrophobicContact CG1-CD1 4.33Å; V202-L224 HydrophobicContact CG1-CD2 3.82Å; V202-L224 HydrophobicContact CG2-CD1 4.04Å; V202-L224 HydrophobicContact CG2-CD2 3.95Å; P221-L224 PolarHBondContact O-N 3.41Å; P221-L224 VanDerWaalsContact O-N 3.07Å; E222-L224 VanDerWaalsContact C-N 3.35Å; L224-I235 HydrophobicContact CB-CG2 4.34Å; L224-I235 HydrophobicContact CD2-CG2 4.28Å; L224-I237 HydrophobicContact CD2-CB 4.46Å; L224-I237 HydrophobicContact CD2-CG1 3.78Å; L224-I286 HydrophobicContact CD1-CD1 4Å; L224-I286 HydrophobicContact CD1-CG2 4.33Å |
| 225 | L | 96.4 | Very high | 94.1 | Very high | 42 Ų | 42 | 38.6 Ų | 38.6 | 22% | 0.22 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 142.1 | -175.2 | -54 | -172.1 | 0 | 0 | 0 | 112 | A175 E179 I235 I236 T238 | A175-L225 HydrophobicContact CB-CB 3.75Å; A175-L225 HydrophobicContact CB-CD1 3.85Å; A175-L225 HydrophobicContact CB-CG 4.48Å; E179-L225 HydrophobicContact CB-CD2 4.32Å; E179-L225 HydrophobicContact CG-CD2 3.63Å; L225-I235 CarbonylContact O-C 3.48Å; L225-I235 WeakPolarHBondContact O-CA 3.4Å; L225-I236 PolarHBondContact N-O 3.31Å; L225-I236 PolarHBondContact O-N 3.3Å; L225-T238 HydrophobicContact CD1-CG2 3.91Å; L225-T238 HydrophobicContact CG-CG2 4.02Å |
| 226 | Y | 96.5 | Very high | 94.2 | Very high | 22 Ų | 22 | 38.4 Ų | 38.4 | 9% | 0.086 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 135 | 165.1 | -76 | -86.1 | 0 | 0 | 0 | 110.7 | T176 G177 G178 L180 R183 V198 H228 I235 | T176-Y226 PolarHBondContact N-O 3.46Å; G177-Y226 VanDerWaalsContact CA-O 3.32Å; G177-Y226 WeakPolarHBondContact CA-O 3.27Å; G177-Y226 PolarHBondContact N-O 3.14Å; G178-Y226 PolarHBondContact O-N 3.03Å; L180-Y226 HydrophobicContact CD1-CE2 3.8Å; R183-Y226 HydrophobicContact CB-CD2 3.92Å; R183-Y226 HydrophobicContact CB-CE2 3.82Å; R183-Y226 VanDerWaalsContact CD-CE2 3.48Å; R183-Y226 HydrophobicContact CG-CD2 4.24Å; R183-Y226 HydrophobicContact CG-CE2 4.16Å; R183-Y226 VanDerWaalsContact NH1-CB 3.33Å; V198-Y226 WeakPolarHBondContact CG2-OH 3.26Å; Y226-H228 PolarHBondContact O-N 3.4Å; Y226-I235 HydrophobicContact CD1-CD1 3.63Å; Y226-I235 HydrophobicContact CD1-CG1 4.32Å; Y226-I235 HydrophobicContact CD2-CD1 3.81Å; Y226-I235 HydrophobicContact CE1-CD1 3.51Å; Y226-I235 HydrophobicContact CE1-CG1 4.11Å; Y226-I235 HydrophobicContact CE2-CD1 3.68Å; Y226-I235 HydrophobicContact CG-CD1 3.8Å |
| 227 | Y | 95.8 | Very high | 94.2 | Very high | 71 Ų | 71 | 38.3 Ų | 38.3 | 28% | 0.278 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -62.6 | -42.2 | -179.8 | -172.9 | -133.5 | 0 | 0 | 0 | 113.2 | T176 S233 K234 I236 | T176-Y227 PolarHBondContact N-O 3.06Å; T176-Y227 PolarHBondContact OG1-O 2.87Å; Y227-S233 PolarHBondContact N-OG 2.84Å; Y227-K234 HydrophobicContact CD1-CD 4.4Å; Y227-K234 HydrophobicContact CD1-CG 4.27Å; Y227-K234 HydrophobicContact CG-CG 4.22Å; Y227-K234 PolarHBondContact N-O 2.87Å; Y227-I236 HydrophobicContact CD2-CD1 3.5Å; Y227-I236 VanDerWaalsContact CD2-CD1 3.5Å; Y227-I236 HydrophobicContact CE2-CD1 4.35Å; Y227-I236 HydrophobicContact CG-CD1 3.95Å |
| 228 | H | 94.5 | Very high | 94.3 | Very high | 54 Ų | 54 | 37.2 Ų | 37.2 | 25% | 0.25 | 20% | 0.204 | C | C | . | . | trans | -146.5 | 161.4 | 177.4 | 52 | 75.4 | 0 | 0 | 0 | 113.5 | T176 G177 R183 Y226 G230 D232 S233 | T176-H228 WeakPolarHBondContact OG1-CA 3.25Å; G177-H228 VanDerWaalsContact CA-C 3.43Å; R183-H228 PolarHBondContact NH1-O 3.5Å; Y226-H228 PolarHBondContact O-N 3.4Å; H228-G230 VanDerWaalsContact C-N 3.25Å; H228-G230 PolarHBondContact ND1-N 2.95Å; H228-G230 PolarHBondContact O-N 2.81Å; H228-D232 IonicContact CE1-OD1 2.82Å; H228-D232 PolarHBondContact CE1-OD1 2.97Å; H228-D232 IonicContact CE1-OD2 3.83Å; H228-D232 IonicContact ND1-OD1 3.13Å; H228-S233 WeakPolarHBondContact CE1-CA 3.48Å; H228-S233 PolarHBondContact CE1-N 2.82Å; H228-S233 PolarHBondContact N-OG 2.99Å; H228-S233 WeakPolarHBondContact ND1-CB 3.42Å; H228-S233 WeakPolarHBondContact O-CB 3.5Å; H228-S233 PolarHBondContact O-OG 3.48Å | ||
| 229 | P | 91.3 | Very high | 94.1 | Very high | 97 Ų | 97 | 39 Ų | 39 | 63% | 0.63 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -71 | -10.5 | 178.3 | 27.1 | -35.7 | 0 | 0 | 0 | 115.1 | R183 | R183-P229 PolarHBondContact NH2-O 3.2Š|
| 230 | G | 90.1 | Very high | 94 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 31% | 0.309 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -62.4 | 143 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113 | R183 H228 D232 S233 | R183-G230 VanDerWaalsContact NH2-C 3.27Å; R183-G230 PolarHBondContact NH2-O 3.49Å; H228-G230 VanDerWaalsContact C-N 3.25Å; H228-G230 PolarHBondContact ND1-N 2.95Å; H228-G230 PolarHBondContact O-N 2.81Å; G230-D232 PolarHBondContact O-N 3.44Å; G230-S233 VanDerWaalsContact O-CB 3.23Å; G230-S233 WeakPolarHBondContact O-CB 3.33Å; G230-S233 PolarHBondContact O-N 2.69Å; G230-S233 VanDerWaalsContact O-N 3.1Å |
| 231 | T | 86 | Confident | 93.8 | Very high | 139 Ų | 139 | 37.9 Ų | 37.9 | 85% | 0.853 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17 | -169.9 | 46.2 | 0 | 0 | 0 | 0 | 115 | ||
| 232 | D | 89.7 | Confident | 93.7 | Very high | 110 Ų | 110 | 39 Ų | 39 | 59% | 0.588 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -4.9 | 176.4 | 60.4 | -44.1 | 0 | 0 | 0 | 114 | H228 G230 K234 | H228-D232 IonicContact CE1-OD1 2.82Å; H228-D232 PolarHBondContact CE1-OD1 2.97Å; H228-D232 IonicContact CE1-OD2 3.83Å; H228-D232 IonicContact ND1-OD1 3.13Å; G230-D232 PolarHBondContact O-N 3.44Å; D232-K234 PolarHBondContact O-N 2.88Å |
| 233 | S | 94.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -54.1 | 130.8 | -174.2 | -177.9 | 0 | 0 | 0 | 0 | 114.9 | Y227 H228 G230 | Y227-S233 PolarHBondContact N-OG 2.84Å; H228-S233 WeakPolarHBondContact CE1-CA 3.48Å; H228-S233 PolarHBondContact CE1-N 2.82Å; H228-S233 PolarHBondContact N-OG 2.99Å; H228-S233 WeakPolarHBondContact ND1-CB 3.42Å; H228-S233 WeakPolarHBondContact O-CB 3.5Å; H228-S233 PolarHBondContact O-OG 3.48Å; G230-S233 VanDerWaalsContact O-CB 3.23Å; G230-S233 WeakPolarHBondContact O-CB 3.33Å; G230-S233 PolarHBondContact O-N 2.69Å; G230-S233 VanDerWaalsContact O-N 3.1Å |
| 234 | K | 95.8 | Very high | 93.5 | Very high | 51 Ų | 51 | 36.3 Ų | 36.3 | 22% | 0.222 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 152.1 | 162.4 | 66.1 | 176.9 | -170.2 | 158 | 0 | 112.5 | A153 E173 M201 Y227 D232 I236 | A153-K234 VanDerWaalsContact O-CD 3.29Å; A153-K234 WeakPolarHBondContact O-CD 3.42Å; A153-K234 WeakPolarHBondContact O-CE 3.48Å; A153-K234 PolarHBondContact O-NZ 3.2Å; E173-K234 IonicContact OE2-NZ 3.67Å; M201-K234 HydrophobicContact SD-CB 4.28Å; Y227-K234 HydrophobicContact CD1-CD 4.4Å; Y227-K234 HydrophobicContact CD1-CG 4.27Å; Y227-K234 HydrophobicContact CG-CG 4.22Å; Y227-K234 PolarHBondContact N-O 2.87Å; D232-K234 PolarHBondContact O-N 2.88Å; K234-I236 HydrophobicContact CD-CG1 4.44Å; K234-I236 HydrophobicContact CG-CG1 4.39Å |
| 235 | I | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 146.3 | 160.8 | -66.5 | -74 | 0 | 0 | 0 | 109.5 | N154 L180 V198 M201 V202 L224 L225 Y226 | N154-I235 WeakPolarHBondContact CA-O 3.38Å; N154-I235 WeakPolarHBondContact CB-O 3.47Å; N154-I235 PolarHBondContact ND2-O 2.8Å; L180-I235 HydrophobicContact CD1-CD1 4.05Å; V198-I235 HydrophobicContact CG1-CG1 4.36Å; M201-I235 HydrophobicContact CB-CB 4.32Å; M201-I235 HydrophobicContact CE-CB 4.28Å; M201-I235 HydrophobicContact CE-CG1 3.76Å; V202-I235 HydrophobicContact CG2-CG2 3.73Å; L224-I235 HydrophobicContact CB-CG2 4.34Å; L224-I235 HydrophobicContact CD2-CG2 4.28Å; L225-I235 CarbonylContact O-C 3.48Å; L225-I235 WeakPolarHBondContact O-CA 3.4Å; Y226-I235 HydrophobicContact CD1-CD1 3.63Å; Y226-I235 HydrophobicContact CD1-CG1 4.32Å; Y226-I235 HydrophobicContact CD2-CD1 3.81Å; Y226-I235 HydrophobicContact CE1-CD1 3.51Å; Y226-I235 HydrophobicContact CE1-CG1 4.11Å; Y226-I235 HydrophobicContact CE2-CD1 3.68Å; Y226-I235 HydrophobicContact CG-CD1 3.8Å |
| 236 | I | 97.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 128.8 | 175.5 | -60.2 | -175.3 | 0 | 0 | 0 | 109.4 | I156 L225 Y227 K234 T238 | I156-I236 HydrophobicContact CB-CG2 3.71Å; I156-I236 HydrophobicContact CD1-CD1 4.49Å; I156-I236 HydrophobicContact CD1-CG2 3.95Å; I156-I236 HydrophobicContact CG1-CG2 4.46Å; I156-I236 VanDerWaalsContact N-CG2 3.28Å; L225-I236 PolarHBondContact N-O 3.31Å; L225-I236 PolarHBondContact O-N 3.3Å; Y227-I236 HydrophobicContact CD2-CD1 3.5Å; Y227-I236 VanDerWaalsContact CD2-CD1 3.5Å; Y227-I236 HydrophobicContact CE2-CD1 4.35Å; Y227-I236 HydrophobicContact CG-CD1 3.95Å; K234-I236 HydrophobicContact CD-CG1 4.44Å; K234-I236 HydrophobicContact CG-CG1 4.39Å; I236-T238 HydrophobicContact CG2-CG2 4.11Å |
| 237 | I | 98.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 133.3 | 170.1 | -58 | 166.7 | 0 | 0 | 0 | 109.8 | N154 I156 V202 V206 H216 L219 L224 F240 | N154-I237 WeakPolarHBondContact O-CG1 3.23Å; N154-I237 PolarHBondContact O-N 2.96Å; I156-I237 PolarHBondContact N-O 3.37Å; I156-I237 VanDerWaalsContact N-O 3.13Å; V202-I237 HydrophobicContact CG1-CD1 4.19Å; V202-I237 HydrophobicContact CG1-CG1 4.31Å; V206-I237 HydrophobicContact CG2-CD1 3.84Å; H216-I237 WeakPolarHBondContact NE2-CG2 3.29Å; L219-I237 HydrophobicContact CD2-CG2 3.98Å; L224-I237 HydrophobicContact CD2-CB 4.46Å; L224-I237 HydrophobicContact CD2-CG1 3.78Å; I237-F240 HydrophobicContact CG2-CZ 4.43Å |
| 238 | T | 95.8 | Very high | 89.7 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | trans | -134.2 | 164.2 | -175 | 61.4 | 0 | 0 | 0 | 0 | 114.1 | I156 H216 N223 L225 I236 | I156-T238 HydrophobicContact CB-CG2 4.07Å; I156-T238 HydrophobicContact CG1-CG2 4.45Å; I156-T238 HydrophobicContact CG2-CG2 4.29Å; H216-T238 PolarHBondContact CE1-O 3.5Å; H216-T238 PolarHBondContact NE2-O 2.93Å; N223-T238 WeakPolarHBondContact CA-OG1 3.36Å; N223-T238 WeakPolarHBondContact CB-O 3.3Å; N223-T238 PolarHBondContact O-N 2.94Å; N223-T238 PolarHBondContact O-OG1 3Å; L225-T238 HydrophobicContact CD1-CG2 3.91Å; L225-T238 HydrophobicContact CG-CG2 4.02Å; I236-T238 HydrophobicContact CG2-CG2 4.11Å | ||
| 239 | D | 91.8 | Very high | 88.3 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 31% | 0.31 | 30% | 0.304 | S | S | . | . | trans | 61.3 | 78.4 | 178.4 | -151.6 | -22.4 | 0 | 0 | 0 | 116.2 | K127 H216 G241 | K127-D239 IonicContact NZ-OD1 2.73Å; K127-D239 PolarHBondContact NZ-OD1 3.29Å; K127-D239 IonicContact NZ-OD2 2.8Å; K127-D239 PolarHBondContact NZ-OD2 3.06Å; H216-D239 PolarHBondContact CE1-O 3.35Å; D239-G241 PolarHBondContact O-N 3.2Å; D239-G241 VanDerWaalsContact O-N 3.15Å; D239-G241 WeakPolarHBondContact OD1-CA 3.27Å; D239-G241 PolarHBondContact OD1-N 2.87Å | ||
| 240 | F | 94.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -77.9 | 14.9 | 173.1 | -62.2 | -77.6 | 0 | 0 | 0 | 113.8 | E143 V146 L147 I155 I156 L209 H216 I237 L242 A243 | E143-F240 HydrophobicContact CG-CB 4.29Å; V146-F240 HydrophobicContact CB-CB 4.03Å; V146-F240 HydrophobicContact CB-CD1 4.3Å; V146-F240 HydrophobicContact CB-CG 4.09Å; V146-F240 HydrophobicContact CG1-CB 4.08Å; V146-F240 HydrophobicContact CG1-CD1 3.49Å; V146-F240 VanDerWaalsContact CG1-CD1 3.49Å; V146-F240 HydrophobicContact CG1-CD2 3.98Å; V146-F240 HydrophobicContact CG1-CE1 3.81Å; V146-F240 HydrophobicContact CG1-CE2 4.29Å; V146-F240 HydrophobicContact CG1-CG 3.57Å; V146-F240 HydrophobicContact CG1-CZ 4.21Å; V146-F240 HydrophobicContact CG2-CB 4.42Å; L147-F240 HydrophobicContact CD2-CD2 3.57Å; L147-F240 HydrophobicContact CD2-CE2 3.76Å; L147-F240 HydrophobicContact CG-CD2 4.09Å; I155-F240 HydrophobicContact CG2-CE2 3.83Å; I155-F240 HydrophobicContact CG2-CZ 3.65Å; I156-F240 HydrophobicContact CG2-CE2 4.11Å; L209-F240 HydrophobicContact CD1-CE1 3.79Å; L209-F240 HydrophobicContact CD1-CZ 4.31Å; L209-F240 HydrophobicContact CD2-CE1 3.63Å; L209-F240 HydrophobicContact CD2-CZ 4.06Å; L209-F240 HydrophobicContact CG-CE1 4.38Å; H216-F240 AromaticContact CD2-CD1 3.62Å; H216-F240 AromaticContact CD2-CE1 3.45Å; H216-F240 VanDerWaalsContact CD2-CE1 3.45Å; H216-F240 WeakPolarHBondContact CD2-CE1 3.13Å; H216-F240 AromaticContact NE2-CD1 3.84Å; H216-F240 AromaticContact NE2-CE1 3.84Å; I237-F240 HydrophobicContact CG2-CZ 4.43Å; F240-L242 PolarHBondContact O-N 2.83Å; F240-L242 VanDerWaalsContact O-N 3.14Å; F240-A243 HydrophobicContact CB-CB 3.91Å; F240-A243 HydrophobicContact CD1-CB 4.04Å; F240-A243 HydrophobicContact CG-CB 4.5Å; F240-A243 VanDerWaalsContact O-CB 3.25Å; F240-A243 WeakPolarHBondContact O-CB 3.24Å; F240-A243 PolarHBondContact O-N 3.05Å |
| 241 | G | 88.3 | Confident | 86.5 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 7% | 0.072 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -62.4 | -19.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D239 | D239-G241 PolarHBondContact O-N 3.2Å; D239-G241 VanDerWaalsContact O-N 3.15Å; D239-G241 WeakPolarHBondContact OD1-CA 3.27Å; D239-G241 PolarHBondContact OD1-N 2.87Å |
| 242 | L | 88.6 | Confident | 85.9 | Confident | 30 Ų | 30 | 51.4 Ų | 51.4 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -110.2 | 3 | 171.9 | -67.8 | -177 | 0 | 0 | 0 | 113.8 | R217 D218 F240 C258 | R217-L242 VanDerWaalsContact CZ-O 3.25Å; R217-L242 PolarHBondContact NE-O 3.41Å; R217-L242 PolarHBondContact NH2-O 2.93Å; D218-L242 HydrophobicContact CB-CB 4.21Å; D218-L242 HydrophobicContact CB-CD1 3.94Å; F240-L242 PolarHBondContact O-N 2.83Å; F240-L242 VanDerWaalsContact O-N 3.14Å; L242-C258 HydrophobicContact CD2-CB 4.48Å |
| 243 | A | 92.3 | Very high | 85.6 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | trans | -62.5 | 161.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | S142 V146 T215 H216 R217 F240 | S142-A243 PolarHBondContact OG-O 3.49Å; V146-A243 HydrophobicContact CG2-CB 3.89Å; T215-A243 CarbonylContact O-C 3.55Å; T215-A243 VanDerWaalsContact O-CA 3.26Å; T215-A243 WeakPolarHBondContact O-CA 3.42Å; T215-A243 WeakPolarHBondContact O-CB 3.4Å; H216-A243 WeakPolarHBondContact O-CA 3.39Å; R217-A243 PolarHBondContact NH2-O 3.28Å; F240-A243 HydrophobicContact CB-CB 3.91Å; F240-A243 HydrophobicContact CD1-CB 4.04Å; F240-A243 HydrophobicContact CG-CB 4.5Å; F240-A243 VanDerWaalsContact O-CB 3.25Å; F240-A243 WeakPolarHBondContact O-CB 3.24Å; F240-A243 PolarHBondContact O-N 3.05Å | ||
| 244 | S | 90.9 | Very high | 85.1 | Confident | 26 Ų | 26 | 50 Ų | 50 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.5 | 170.4 | -176 | 0 | 0 | 0 | 0 | 108.5 | I214 T215 M254 | I214-S244 CarbonylContact C-O 3.46Å; I214-S244 VanDerWaalsContact CA-O 3.27Å; I214-S244 WeakPolarHBondContact CA-O 3.44Å; T215-S244 PolarHBondContact N-O 3.33Å; T215-S244 PolarHBondContact O-N 3.35Å; S244-M254 WeakPolarHBondContact CB-SD 3.19Å; S244-M254 PolarHBondContact OG-SD 3.46Å |
| 245 | A | 88.2 | Confident | 84.4 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 103.3 | 179 | 0 | 0 | 0 | 0 | 0 | 109.3 | R145 V146 I214 | R145-A245 HydrophobicContact CG-CB 4.32Å; V146-A245 HydrophobicContact CG2-CB 3.99Å; I214-A245 HydrophobicContact CG1-CB 4.14Å |
| 246 | R | 82.2 | Confident | 83.6 | Confident | 90 Ų | 90 | 58.1 Ų | 58.1 | 34% | 0.34 | 31% | 0.31 | S | S | . | . | trans | -62.8 | 145.2 | -179.7 | -65.2 | 173.3 | 68.4 | -156.5 | -1.3 | 111 | R149 G213 D250 D251 C252 | R149-R246 PolarHBondContact NH1-O 2.8Å; G213-R246 WeakPolarHBondContact O-CB 3.25Å; G213-R246 PolarHBondContact O-N 3.46Å; R246-D250 HydrophobicContact CB-CB 4.4Å; R246-D250 PolarHBondContact NH2-O 2.99Å; R246-D251 PolarHBondContact NE-O 3.46Å; R246-D251 PolarHBondContact NH2-O 3.34Å; R246-C252 VanDerWaalsContact CZ-CA 3.48Å | ||
| 247 | K | 73.9 | Confident | 82.9 | Confident | 153 Ų | 153 | 59.9 Ų | 59.9 | 67% | 0.665 | 32% | 0.321 | S | S | * | . | trans | -87.6 | 161.1 | 161.7 | -59.4 | 175.1 | 179.2 | 176.2 | 0 | 109.7 | G249 D250 | K247-G249 PolarHBondContact O-N 3.47Å; K247-G249 VanDerWaalsContact O-N 3.16Å; K247-D250 VanDerWaalsContact CB-OD2 3.31Å; K247-D250 WeakPolarHBondContact CB-OD2 3.44Å; K247-D250 PolarHBondContact N-OD2 3.23Å; K247-D250 PolarHBondContact O-N 3.29Å; K247-D250 VanDerWaalsContact O-N 3.14Å | ||
| 248 | K | 63.1 | Low | 82.3 | Confident | 223 Ų | 223 | 60.8 Ų | 60.8 | 97% | 0.97 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 111.8 | 174.2 | -167.5 | 179.1 | -175.6 | -178.6 | 0 | 108.9 | ||
| 249 | G | 64.1 | Low | 81.7 | Confident | 80 Ų | 80 | 60.7 Ų | 60.7 | 83% | 0.825 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.3 | -8.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K247 | K247-G249 PolarHBondContact O-N 3.47Å; K247-G249 VanDerWaalsContact O-N 3.16Å |
| 250 | D | 71.7 | Confident | 81.5 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | trans | -69.6 | 149.1 | 171.6 | -70.6 | -16.2 | 0 | 0 | 0 | 111 | R246 K247 | R246-D250 HydrophobicContact CB-CB 4.4Å; R246-D250 PolarHBondContact NH2-O 2.99Å; K247-D250 VanDerWaalsContact CB-OD2 3.31Å; K247-D250 WeakPolarHBondContact CB-OD2 3.44Å; K247-D250 PolarHBondContact N-OD2 3.23Å; K247-D250 PolarHBondContact O-N 3.29Å; K247-D250 VanDerWaalsContact O-N 3.14Å | ||
| 251 | D | 71.6 | Confident | 81.1 | Confident | 89 Ų | 89 | 60 Ų | 60 | 48% | 0.476 | 33% | 0.328 | S | S | . | . | trans | -50 | 151.7 | 166.2 | -168.2 | -9.6 | 0 | 0 | 0 | 111.3 | R246 L253 | R246-D251 PolarHBondContact NE-O 3.46Å; R246-D251 PolarHBondContact NH2-O 3.34Å; D251-L253 VanDerWaalsContact C-N 3.28Å; D251-L253 WeakPolarHBondContact OD1-CB 3.35Å; D251-L253 WeakPolarHBondContact OD1-CG 3.31Å; D251-L253 PolarHBondContact OD1-N 2.78Å | ||
| 252 | C | 74.8 | Confident | 81.2 | Confident | 52 Ų | 52 | 62.8 Ų | 62.8 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -78.5 | -15.9 | 169.8 | 63.5 | 0 | 0 | 0 | 0 | 112.7 | R246 | R246-C252 VanDerWaalsContact CZ-CA 3.48Š|
| 253 | L | 81.4 | Confident | 81.4 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 37% | 0.366 | 34% | 0.336 | S | S | . | . | trans | -89.6 | 116.3 | -173.6 | -57.6 | 174 | 0 | 0 | 0 | 113.1 | D251 P273 Y274 T275 | D251-L253 VanDerWaalsContact C-N 3.28Å; D251-L253 WeakPolarHBondContact OD1-CB 3.35Å; D251-L253 WeakPolarHBondContact OD1-CG 3.31Å; D251-L253 PolarHBondContact OD1-N 2.78Å; L253-P273 HydrophobicContact CB-CB 3.74Å; L253-P273 HydrophobicContact CD1-CB 4.03Å; L253-P273 HydrophobicContact CD2-CB 4.19Å; L253-P273 HydrophobicContact CG-CB 4.21Å; L253-Y274 WeakPolarHBondContact CA-O 3.34Å; L253-T275 HydrophobicContact CD2-CG2 4.01Å | ||
| 254 | M | 84.8 | Confident | 81.4 | Confident | 17 Ų | 17 | 62.9 Ų | 62.9 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -92.1 | 148 | 171.1 | -67.9 | 162.9 | -76.4 | 0 | 0 | 110.4 | T215 S244 P273 Y274 T275 | T215-M254 HydrophobicContact CG2-CE 4.07Å; T215-M254 HydrophobicContact CG2-SD 4.42Å; S244-M254 WeakPolarHBondContact CB-SD 3.19Å; S244-M254 PolarHBondContact OG-SD 3.46Å; M254-P273 CarbonylContact O-C 3.56Å; M254-P273 VanDerWaalsContact O-CA 3.29Å; M254-P273 WeakPolarHBondContact O-CA 3.46Å; M254-Y274 HydrophobicContact CB-CD1 4.48Å; M254-Y274 HydrophobicContact CB-CD2 3.85Å; M254-Y274 HydrophobicContact CB-CE1 4.11Å; M254-Y274 HydrophobicContact CB-CE2 3.4Å; M254-Y274 HydrophobicContact CB-CG 4.37Å; M254-Y274 HydrophobicContact CE-CD2 3.94Å; M254-Y274 HydrophobicContact CE-CE2 3.93Å; M254-Y274 HydrophobicContact CG-CE2 4.28Å; M254-Y274 PolarHBondContact N-O 3.46Å; M254-Y274 VanDerWaalsContact O-CD1 3.23Å; M254-Y274 WeakPolarHBondContact O-CD1 3.32Å; M254-Y274 WeakPolarHBondContact O-CE1 3.41Å; M254-Y274 PolarHBondContact O-N 3.06Å; M254-Y274 HydrophobicContact SD-CE2 3.98Å; M254-T275 WeakPolarHBondContact CE-O 3.24Å |
| 255 | K | 80.9 | Confident | 81.4 | Confident | 141 Ų | 141 | 61.7 Ų | 61.7 | 61% | 0.613 | 33% | 0.33 | S | S | * | . | trans | -127.7 | -1.1 | -172.6 | -60.8 | 174.8 | -172.9 | 170.9 | 0 | 114.2 | P273 | K255-P273 HydrophobicContact CG-CB 4.15Å; K255-P273 HydrophobicContact CG-CG 4.41Å | ||
| 256 | T | 82.1 | Confident | 81.6 | Confident | 81 Ų | 81 | 62.2 Ų | 62.2 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | trans | -80.8 | 123 | -179.4 | -38.3 | 0 | 0 | 0 | 0 | 110.6 | C258 Y274 | T256-C258 PolarHBondContact O-N 2.81Å; T256-Y274 VanDerWaalsContact O-CE1 3.27Å; T256-Y274 WeakPolarHBondContact O-CE1 3.42Å; T256-Y274 PolarHBondContact O-OH 3.37Å | ||
| 257 | T | 83.2 | Confident | 81.9 | Confident | 37 Ų | 37 | 60.1 Ų | 60.1 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | trans | -74.6 | 111.7 | 166.3 | -57.6 | 0 | 0 | 0 | 0 | 109.3 | L9 V268 | L9-T257 HydrophobicContact CB-CG2 4.1Å; L9-T257 HydrophobicContact CD1-CG2 3.59Å; L9-T257 HydrophobicContact CG-CG2 3.82Å; T257-V268 HydrophobicContact CG2-CG1 4.26Å; T257-V268 PolarHBondContact OG1-O 3.42Å | ||
| 258 | C | 84.8 | Confident | 82.7 | Confident | 18 Ų | 18 | 53 Ų | 53 | 12% | 0.122 | 30% | 0.296 | C | S | . | . | trans | -153.5 | 173.9 | 176.4 | 59.3 | 0 | 0 | 0 | 0 | 110.7 | L242 T256 I264 | L242-C258 HydrophobicContact CD2-CB 4.48Å; T256-C258 PolarHBondContact O-N 2.81Å; C258-I264 WeakPolarHBondContact O-CD1 3.22Å | ||
| 259 | G | 83.8 | Confident | 83.9 | Confident | 17 Ų | 17 | 43 Ų | 43 | 18% | 0.175 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 107.7 | 168 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | R217 | R217-G259 WeakPolarHBondContact O-CA 3.42Š|
| 260 | T | 86.3 | Confident | 85 | Confident | 24 Ų | 24 | 40.9 Ų | 40.9 | 15% | 0.147 | 22% | 0.224 | C | C | . | . | trans | -79 | 129.3 | 179.1 | -62.4 | 0 | 0 | 0 | 0 | 110.4 | D218 K220 E262 Y263 I264 | D218-T260 WeakPolarHBondContact OD1-CB 3.35Å; D218-T260 PolarHBondContact OD1-N 3.21Å; D218-T260 PolarHBondContact OD1-OG1 2.98Å; K220-T260 HydrophobicContact CD-CG2 4.06Å; K220-T260 VanDerWaalsContact CD-OG1 3.27Å; K220-T260 WeakPolarHBondContact CD-OG1 3.48Å; K220-T260 WeakPolarHBondContact CE-OG1 3.49Å; K220-T260 PolarHBondContact NZ-OG1 2.86Å; T260-E262 WeakPolarHBondContact CG2-OE2 3.43Å; T260-E262 PolarHBondContact O-N 3.43Å; T260-Y263 HydrophobicContact CG2-CD2 3.88Å; T260-Y263 HydrophobicContact CG2-CE2 4.29Å; T260-Y263 PolarHBondContact O-N 3.36Å; T260-I264 PolarHBondContact O-N 3.32Å | ||
| 261 | P | 86.8 | Confident | 85.7 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 13% | 0.13 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.2 | -165 | -27.4 | 34.2 | 0 | 0 | 0 | 117.5 | I264 L305 Y306 I309 | P261-I264 VanDerWaalsContact O-CG2 3.24Å; P261-I264 WeakPolarHBondContact O-CG2 3.35Å; P261-L305 HydrophobicContact CB-CD2 4.39Å; P261-Y306 HydrophobicContact CB-CE1 4.13Å; P261-I309 WeakPolarHBondContact O-CD1 3.13Å |
| 262 | E | 90.2 | Very high | 86.4 | Confident | 64 Ų | 64 | 42.8 Ų | 42.8 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -19.6 | -175.2 | -58.1 | 69.8 | -152.5 | 0 | 0 | 111.9 | T260 M295 L305 | T260-E262 WeakPolarHBondContact CG2-OE2 3.43Å; T260-E262 PolarHBondContact O-N 3.43Å; E262-M295 HydrophobicContact CB-CE 3.67Å; E262-M295 HydrophobicContact CG-CE 4.21Å; E262-L305 HydrophobicContact CG-CD2 4.32Å |
| 263 | Y | 93.1 | Very high | 87 | Confident | 25 Ų | 25 | 43.4 Ų | 43.4 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -0.1 | -178.3 | -56.8 | -87.4 | 0 | 0 | 0 | 112.8 | K220 P221 T260 V285 I286 I289 | K220-Y263 HydrophobicContact CB-CD1 4.29Å; K220-Y263 HydrophobicContact CB-CD2 3.81Å; K220-Y263 HydrophobicContact CB-CE1 4.39Å; K220-Y263 HydrophobicContact CB-CE2 3.92Å; K220-Y263 HydrophobicContact CB-CG 4.03Å; P221-Y263 VanDerWaalsContact CD-OH 3.24Å; P221-Y263 WeakPolarHBondContact CD-OH 3.5Å; P221-Y263 HydrophobicContact CG-CE1 4.25Å; P221-Y263 WeakPolarHBondContact CG-OH 3.39Å; T260-Y263 HydrophobicContact CG2-CD2 3.88Å; T260-Y263 HydrophobicContact CG2-CE2 4.29Å; T260-Y263 PolarHBondContact O-N 3.36Å; Y263-V285 HydrophobicContact CD1-CB 4.05Å; Y263-V285 HydrophobicContact CD1-CG1 3.49Å; Y263-V285 VanDerWaalsContact CD1-CG1 3.49Å; Y263-V285 HydrophobicContact CE1-CG1 3.66Å; Y263-V285 HydrophobicContact CG-CG1 4.4Å; Y263-I286 HydrophobicContact CD1-CG1 4.14Å; Y263-I286 HydrophobicContact CE1-CG1 4.03Å; Y263-I289 HydrophobicContact CE1-CD1 3.97Å |
| 264 | I | 92.2 | Very high | 87.3 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | trans | -77.3 | 136.4 | -173.3 | -162.8 | 169.3 | 0 | 0 | 0 | 112.2 | L9 C258 T260 P261 V268 L269 W281 I309 | L9-I264 HydrophobicContact CD1-CD1 3.62Å; C258-I264 WeakPolarHBondContact O-CD1 3.22Å; T260-I264 PolarHBondContact O-N 3.32Å; P261-I264 VanDerWaalsContact O-CG2 3.24Å; P261-I264 WeakPolarHBondContact O-CG2 3.35Å; I264-V268 HydrophobicContact CD1-CB 4.2Å; I264-V268 HydrophobicContact CD1-CG1 3.86Å; I264-V268 HydrophobicContact CG1-CB 3.94Å; I264-V268 HydrophobicContact CG1-CG1 4.05Å; I264-L269 HydrophobicContact CD1-CD2 4.12Å; I264-L269 HydrophobicContact CG2-CD1 4.07Å; I264-L269 HydrophobicContact CG2-CD2 3.77Å; I264-L269 HydrophobicContact CG2-CG 3.87Å; I264-W281 PolarHBondContact O-NE1 2.79Å; I264-I309 HydrophobicContact CG2-CD1 4.32Å | ||
| 265 | A | 91.1 | Very high | 87.6 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | trans | -75.4 | 145.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E267 V268 L269 V278 W281 | A265-E267 VanDerWaalsContact C-N 3.28Å; A265-E267 WeakPolarHBondContact CB-OE2 3.33Å; A265-E267 PolarHBondContact O-N 3.42Å; A265-V268 HydrophobicContact CB-CG2 4.2Å; A265-V268 WeakPolarHBondContact O-CB 3.37Å; A265-V268 PolarHBondContact O-N 3.09Å; A265-L269 PolarHBondContact O-N 3.03Å; A265-V278 HydrophobicContact CB-CB 3.95Å; A265-V278 HydrophobicContact CB-CG1 3.85Å; A265-W281 VanDerWaalsContact CA-CD1 3.49Å; A265-W281 HydrophobicContact CB-CB 3.74Å; A265-W281 HydrophobicContact CB-CD2 4.32Å; A265-W281 HydrophobicContact CB-CG 3.7Å | ||
| 266 | P | 91.3 | Very high | 88.2 | Confident | 22 Ų | 22 | 38 Ų | 38 | 14% | 0.143 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.2 | -32.6 | -173.5 | 24 | -34.3 | 0 | 0 | 0 | 113.2 | V268 L269 V270 W281 I309 L310 | P266-V268 VanDerWaalsContact C-N 3.28Å; P266-V268 PolarHBondContact O-N 2.95Å; P266-L269 PolarHBondContact O-N 3Å; P266-V270 WeakPolarHBondContact O-CG2 3.48Å; P266-V270 PolarHBondContact O-N 3.49Å; P266-W281 HydrophobicContact CG-CE3 4.16Å; P266-W281 HydrophobicContact CG-CH2 4.04Å; P266-W281 HydrophobicContact CG-CZ2 4.49Å; P266-W281 HydrophobicContact CG-CZ3 3.86Å; P266-I309 HydrophobicContact CB-CG2 4.31Å; P266-L310 HydrophobicContact CB-CD2 3.92Å |
| 267 | E | 89.3 | Confident | 88.7 | Confident | 46 Ų | 46 | 36.1 Ų | 36.1 | 22% | 0.215 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.4 | -32 | 176.3 | 64.2 | -89.5 | -142.8 | 0 | 0 | 113.1 | A265 R271 K272 S277 V278 | A265-E267 VanDerWaalsContact C-N 3.28Å; A265-E267 WeakPolarHBondContact CB-OE2 3.33Å; A265-E267 PolarHBondContact O-N 3.42Å; E267-R271 PolarHBondContact O-N 2.96Å; E267-K272 HydrophobicContact CB-CB 4.43Å; E267-K272 PolarHBondContact O-N 3.39Å; E267-S277 PolarHBondContact OE1-OG 3.21Å; E267-V278 HydrophobicContact CG-CG1 4.23Å |
| 268 | V | 89.6 | Confident | 89.3 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.03 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73.7 | -35.5 | 177.7 | -170.5 | 0 | 0 | 0 | 0 | 111.2 | T257 I264 A265 P266 R271 Y274 V278 | T257-V268 HydrophobicContact CG2-CG1 4.26Å; T257-V268 PolarHBondContact OG1-O 3.42Å; I264-V268 HydrophobicContact CD1-CB 4.2Å; I264-V268 HydrophobicContact CD1-CG1 3.86Å; I264-V268 HydrophobicContact CG1-CB 3.94Å; I264-V268 HydrophobicContact CG1-CG1 4.05Å; A265-V268 HydrophobicContact CB-CG2 4.2Å; A265-V268 WeakPolarHBondContact O-CB 3.37Å; A265-V268 PolarHBondContact O-N 3.09Å; P266-V268 VanDerWaalsContact C-N 3.28Å; P266-V268 PolarHBondContact O-N 2.95Å; V268-R271 PolarHBondContact O-N 2.94Å; V268-Y274 HydrophobicContact CB-CD1 4.48Å; V268-Y274 HydrophobicContact CG1-CE1 4.09Å; V268-Y274 HydrophobicContact CG2-CD1 3.82Å; V268-Y274 HydrophobicContact CG2-CD2 4.33Å; V268-Y274 HydrophobicContact CG2-CE1 4Å; V268-Y274 HydrophobicContact CG2-CG 4Å; V268-V278 HydrophobicContact CG2-CB 4.33Å; V268-V278 HydrophobicContact CG2-CG1 3.56Å |
| 269 | L | 88.2 | Confident | 89.8 | Confident | 13 Ų | 13 | 34 Ų | 34 | 7% | 0.068 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.2 | -42.5 | 176.3 | -71.3 | 177.3 | 0 | 0 | 0 | 112.3 | L9 I264 A265 P266 R271 Y306 I309 L310 | L9-L269 HydrophobicContact CD1-CD2 3.9Å; I264-L269 HydrophobicContact CD1-CD2 4.12Å; I264-L269 HydrophobicContact CG2-CD1 4.07Å; I264-L269 HydrophobicContact CG2-CD2 3.77Å; I264-L269 HydrophobicContact CG2-CG 3.87Å; A265-L269 PolarHBondContact O-N 3.03Å; P266-L269 PolarHBondContact O-N 3Å; L269-R271 PolarHBondContact O-N 3.46Å; L269-Y306 HydrophobicContact CD1-CD1 3.84Å; L269-Y306 HydrophobicContact CD1-CG 4.19Å; L269-Y306 HydrophobicContact CD2-CD1 3.64Å; L269-Y306 HydrophobicContact CD2-CE1 3.77Å; L269-Y306 HydrophobicContact CD2-CG 4.06Å; L269-Y306 HydrophobicContact CG-CD1 4.43Å; L269-I309 HydrophobicContact CD1-CB 4.04Å; L269-I309 HydrophobicContact CD1-CD1 4.34Å; L269-I309 HydrophobicContact CD1-CG2 3.61Å; L269-L310 HydrophobicContact CB-CD2 4.07Å; L269-L310 HydrophobicContact CD1-CD2 4.39Å; L269-L310 HydrophobicContact CD1-CG 4.3Å |
| 270 | V | 88 | Confident | 90.5 | Very high | 35 Ų | 35 | 36.8 Ų | 36.8 | 21% | 0.212 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 12.4 | 173.5 | -63.6 | 0 | 0 | 0 | 0 | 113.7 | L18 P266 K272 L310 | L18-V270 HydrophobicContact CD1-CB 4.33Å; L18-V270 HydrophobicContact CD1-CG1 3.78Å; L18-V270 HydrophobicContact CD1-CG2 3.74Å; P266-V270 WeakPolarHBondContact O-CG2 3.48Å; P266-V270 PolarHBondContact O-N 3.49Å; V270-K272 HydrophobicContact CG2-CB 4.22Å; V270-K272 HydrophobicContact CG2-CD 3.68Å; V270-K272 HydrophobicContact CG2-CG 3.73Å; V270-K272 PolarHBondContact O-N 2.68Å; V270-L310 HydrophobicContact CG1-CD1 4.38Å; V270-L310 HydrophobicContact CG1-CD2 3.68Å |
| 271 | R | 87.1 | Confident | 90.9 | Very high | 113 Ų | 113 | 37.3 Ų | 37.3 | 43% | 0.426 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 27.2 | 178.2 | -51 | -176.2 | -179.3 | 156.4 | -0.2 | 113.8 | E11 E267 V268 L269 | E11-R271 IonicContact OE1-CZ 3.67Å; E11-R271 IonicContact OE1-NH1 3.76Å; E11-R271 PolarHBondContact OE1-NH1 3.29Å; E11-R271 IonicContact OE1-NH2 2.7Å; E11-R271 PolarHBondContact OE1-NH2 2.81Å; E267-R271 PolarHBondContact O-N 2.96Å; V268-R271 PolarHBondContact O-N 2.94Å; L269-R271 PolarHBondContact O-N 3.46Å |
| 272 | K | 86.3 | Confident | 91.4 | Very high | 88 Ų | 88 | 36.6 Ų | 36.6 | 38% | 0.383 | 19% | 0.185 | S | C | . | . | trans | -73.5 | 149.7 | 173.8 | -78.2 | 176.5 | -176.9 | 177.4 | 0 | 109.3 | E267 V270 Y274 | E267-K272 HydrophobicContact CB-CB 4.43Å; E267-K272 PolarHBondContact O-N 3.39Å; V270-K272 HydrophobicContact CG2-CB 4.22Å; V270-K272 HydrophobicContact CG2-CD 3.68Å; V270-K272 HydrophobicContact CG2-CG 3.73Å; V270-K272 PolarHBondContact O-N 2.68Å; K272-Y274 PolarHBondContact O-N 3.28Å | ||
| 273 | P | 86.9 | Confident | 91.7 | Very high | 65 Ų | 65 | 34 Ų | 34 | 42% | 0.422 | 17% | 0.173 | S | C | . | . | trans | -62.9 | 130.7 | 171.1 | -15.7 | 29.6 | 0 | 0 | 0 | 110.1 | L253 M254 K255 | L253-P273 HydrophobicContact CB-CB 3.74Å; L253-P273 HydrophobicContact CD1-CB 4.03Å; L253-P273 HydrophobicContact CD2-CB 4.19Å; L253-P273 HydrophobicContact CG-CB 4.21Å; M254-P273 CarbonylContact O-C 3.56Å; M254-P273 VanDerWaalsContact O-CA 3.29Å; M254-P273 WeakPolarHBondContact O-CA 3.46Å; K255-P273 HydrophobicContact CG-CB 4.15Å; K255-P273 HydrophobicContact CG-CG 4.41Å | ||
| 274 | Y | 88.1 | Confident | 91.8 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -128.8 | 158.3 | -169.5 | 62.8 | -97.6 | 0 | 0 | 0 | 112.7 | R217 L253 M254 T256 V268 K272 V278 | R217-Y274 VanDerWaalsContact CD-OH 3.31Å; R217-Y274 WeakPolarHBondContact CD-OH 3.12Å; R217-Y274 HydrophobicContact CG-CE2 4.46Å; R217-Y274 PolarHBondContact NH1-OH 3.39Å; L253-Y274 WeakPolarHBondContact CA-O 3.34Å; M254-Y274 HydrophobicContact CB-CD1 4.48Å; M254-Y274 HydrophobicContact CB-CD2 3.85Å; M254-Y274 HydrophobicContact CB-CE1 4.11Å; M254-Y274 HydrophobicContact CB-CE2 3.4Å; M254-Y274 HydrophobicContact CB-CG 4.37Å; M254-Y274 HydrophobicContact CE-CD2 3.94Å; M254-Y274 HydrophobicContact CE-CE2 3.93Å; M254-Y274 HydrophobicContact CG-CE2 4.28Å; M254-Y274 PolarHBondContact N-O 3.46Å; M254-Y274 VanDerWaalsContact O-CD1 3.23Å; M254-Y274 WeakPolarHBondContact O-CD1 3.32Å; M254-Y274 WeakPolarHBondContact O-CE1 3.41Å; M254-Y274 PolarHBondContact O-N 3.06Å; M254-Y274 HydrophobicContact SD-CE2 3.98Å; T256-Y274 VanDerWaalsContact O-CE1 3.27Å; T256-Y274 WeakPolarHBondContact O-CE1 3.42Å; T256-Y274 PolarHBondContact O-OH 3.37Å; V268-Y274 HydrophobicContact CB-CD1 4.48Å; V268-Y274 HydrophobicContact CG1-CE1 4.09Å; V268-Y274 HydrophobicContact CG2-CD1 3.82Å; V268-Y274 HydrophobicContact CG2-CD2 4.33Å; V268-Y274 HydrophobicContact CG2-CE1 4Å; V268-Y274 HydrophobicContact CG2-CG 4Å; K272-Y274 PolarHBondContact O-N 3.28Å; Y274-V278 HydrophobicContact CD2-CB 4.4Å; Y274-V278 HydrophobicContact CD2-CG1 3.43Å; Y274-V278 VanDerWaalsContact CD2-CG1 3.43Å; Y274-V278 HydrophobicContact CD2-CG2 4.04Å; Y274-V278 HydrophobicContact CE2-CG1 4.15Å; Y274-V278 HydrophobicContact CE2-CG2 4.11Å; Y274-V278 HydrophobicContact CG-CG1 3.83Å |
| 275 | T | 91.4 | Very high | 91.9 | Very high | 44 Ų | 44 | 33.3 Ų | 33.3 | 27% | 0.27 | 18% | 0.175 | S | C | . | . | trans | -107.1 | -161.6 | 180 | 68 | 0 | 0 | 0 | 0 | 111.1 | L253 M254 S277 | L253-T275 HydrophobicContact CD2-CG2 4.01Å; M254-T275 WeakPolarHBondContact CE-O 3.24Å; T275-S277 PolarHBondContact O-N 3.04Å; T275-S277 PolarHBondContact OG1-N 3.37Å; T275-S277 PolarHBondContact OG1-OG 2.94Å | ||
| 276 | N | 92.4 | Very high | 92.1 | Very high | 63 Ų | 63 | 33.3 Ų | 33.3 | 34% | 0.337 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -2.4 | 169.6 | 61.4 | -46.5 | 0 | 0 | 0 | 114.2 | H210 T215 V278 D279 | H210-N276 PolarHBondContact CE1-O 2.95Å; H210-N276 PolarHBondContact ND1-ND2 2.97Å; T215-N276 HydrophobicContact CG2-CB 4.22Å; N276-V278 PolarHBondContact O-N 3.02Å; N276-V278 VanDerWaalsContact O-N 3.17Å; N276-D279 PolarHBondContact O-N 3.32Å |
| 277 | S | 93.8 | Very high | 92.3 | Very high | 43 Ų | 43 | 32.5 Ų | 32.5 | 30% | 0.301 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -50 | -34.2 | 170.3 | 56.9 | 0 | 0 | 0 | 0 | 113.5 | E267 T275 D279 M280 W281 | E267-S277 PolarHBondContact OE1-OG 3.21Å; T275-S277 PolarHBondContact O-N 3.04Å; T275-S277 PolarHBondContact OG1-N 3.37Å; T275-S277 PolarHBondContact OG1-OG 2.94Å; S277-D279 VanDerWaalsContact C-N 3.26Å; S277-D279 PolarHBondContact O-N 2.68Å; S277-M280 WeakPolarHBondContact O-CA 3.44Å; S277-M280 WeakPolarHBondContact O-CB 3.37Å; S277-M280 PolarHBondContact O-N 3.4Å; S277-W281 PolarHBondContact O-N 3.37Å |
| 278 | V | 94.3 | Very high | 92.4 | Very high | 10 Ų | 10 | 30.9 Ų | 30.9 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64 | -30.5 | -175 | -54.9 | 0 | 0 | 0 | 0 | 113.2 | T215 R217 A265 E267 V268 Y274 N276 M280 A282 | T215-V278 HydrophobicContact CG2-CG2 3.87Å; R217-V278 HydrophobicContact CG-CG2 4.24Å; A265-V278 HydrophobicContact CB-CB 3.95Å; A265-V278 HydrophobicContact CB-CG1 3.85Å; E267-V278 HydrophobicContact CG-CG1 4.23Å; V268-V278 HydrophobicContact CG2-CB 4.33Å; V268-V278 HydrophobicContact CG2-CG1 3.56Å; Y274-V278 HydrophobicContact CD2-CB 4.4Å; Y274-V278 HydrophobicContact CD2-CG1 3.43Å; Y274-V278 VanDerWaalsContact CD2-CG1 3.43Å; Y274-V278 HydrophobicContact CD2-CG2 4.04Å; Y274-V278 HydrophobicContact CE2-CG1 4.15Å; Y274-V278 HydrophobicContact CE2-CG2 4.11Å; Y274-V278 HydrophobicContact CG-CG1 3.83Å; N276-V278 PolarHBondContact O-N 3.02Å; N276-V278 VanDerWaalsContact O-N 3.17Å; V278-M280 VanDerWaalsContact C-N 3.35Å; V278-A282 PolarHBondContact O-N 3.28Å |
| 279 | D | 96.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.5 | -36.1 | 173.1 | -71.1 | -13.9 | 0 | 0 | 0 | 110.5 | V206 H210 T215 H216 R217 L219 N276 S277 A282 L283 | V206-D279 HydrophobicContact CG1-CB 4.18Å; H210-D279 IonicContact CD2-OD2 3.68Å; H210-D279 IonicContact CE1-OD2 3.81Å; H210-D279 IonicContact NE2-OD2 2.78Å; H210-D279 PolarHBondContact NE2-OD2 3.13Å; T215-D279 WeakPolarHBondContact CA-OD2 3.28Å; T215-D279 VanDerWaalsContact CG2-OD2 3.31Å; T215-D279 WeakPolarHBondContact CG2-OD2 3.16Å; H216-D279 WeakPolarHBondContact CB-OD1 3.48Å; H216-D279 PolarHBondContact N-OD1 2.87Å; H216-D279 PolarHBondContact N-OD2 3.36Å; R217-D279 PolarHBondContact N-OD1 2.78Å; L219-D279 HydrophobicContact CD1-CB 3.71Å; N276-D279 PolarHBondContact O-N 3.32Å; S277-D279 VanDerWaalsContact C-N 3.26Å; S277-D279 PolarHBondContact O-N 2.68Å; D279-A282 PolarHBondContact O-N 3.49Å; D279-L283 WeakPolarHBondContact O-CG 3.27Å; D279-L283 PolarHBondContact O-N 2.81Å |
| 280 | M | 97.3 | Very high | 92.5 | Very high | 75 Ų | 75 | 31.5 Ų | 31.5 | 37% | 0.369 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -70.8 | -33.6 | 177.9 | -57.2 | -55.2 | -57.5 | 0 | 0 | 112.3 | L203 V206 S277 V278 L283 G284 | L203-M280 HydrophobicContact CD2-CE 3.79Å; V206-M280 HydrophobicContact CG1-SD 4.38Å; S277-M280 WeakPolarHBondContact O-CA 3.44Å; S277-M280 WeakPolarHBondContact O-CB 3.37Å; S277-M280 PolarHBondContact O-N 3.4Å; V278-M280 VanDerWaalsContact C-N 3.35Å; M280-L283 HydrophobicContact CE-CD1 4.24Å; M280-L283 PolarHBondContact O-N 3.4Å; M280-L283 HydrophobicContact SD-CD1 4.01Å; M280-G284 PolarHBondContact O-N 3.05Å |
| 281 | W | 95.7 | Very high | 92.6 | Very high | 35 Ų | 35 | 31.3 Ų | 31.3 | 13% | 0.133 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.4 | -49.5 | 169.8 | 176.5 | -84.4 | 0 | 0 | 0 | 111.3 | I264 A265 P266 S277 L283 G284 V285 F297 I309 M347 | I264-W281 PolarHBondContact O-NE1 2.79Å; A265-W281 VanDerWaalsContact CA-CD1 3.49Å; A265-W281 HydrophobicContact CB-CB 3.74Å; A265-W281 HydrophobicContact CB-CD2 4.32Å; A265-W281 HydrophobicContact CB-CG 3.7Å; P266-W281 HydrophobicContact CG-CE3 4.16Å; P266-W281 HydrophobicContact CG-CH2 4.04Å; P266-W281 HydrophobicContact CG-CZ2 4.49Å; P266-W281 HydrophobicContact CG-CZ3 3.86Å; S277-W281 PolarHBondContact O-N 3.37Å; W281-L283 VanDerWaalsContact C-N 3.31Å; W281-L283 PolarHBondContact O-N 2.91Å; W281-G284 WeakPolarHBondContact O-CA 3.48Å; W281-G284 PolarHBondContact O-N 2.8Å; W281-V285 PolarHBondContact O-N 2.78Å; W281-F297 HydrophobicContact CH2-CE2 4.11Å; W281-F297 HydrophobicContact CH2-CZ 4.09Å; W281-F297 HydrophobicContact CZ2-CD2 4.41Å; W281-F297 AromaticContact CZ2-CE2 3.51Å; W281-F297 HydrophobicContact CZ2-CE2 3.51Å; W281-F297 AromaticContact CZ2-CZ 3.96Å; W281-F297 HydrophobicContact CZ2-CZ 3.96Å; W281-I309 HydrophobicContact CZ2-CG2 3.9Å; W281-M347 HydrophobicContact CE3-CE 4Å; W281-M347 HydrophobicContact CZ3-CE 4.28Å |
| 282 | A | 96.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 3% | 0.033 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.8 | -38.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L219 V278 D279 G284 V285 I286 | L219-A282 HydrophobicContact CB-CB 3.88Å; V278-A282 PolarHBondContact O-N 3.28Å; D279-A282 PolarHBondContact O-N 3.49Å; A282-G284 VanDerWaalsContact C-N 3.34Å; A282-G284 PolarHBondContact O-N 2.73Å; A282-V285 PolarHBondContact O-N 3.48Å; A282-I286 WeakPolarHBondContact O-CD1 3.35Å; A282-I286 VanDerWaalsContact O-CG1 3.28Å; A282-I286 WeakPolarHBondContact O-CG1 3.27Å; A282-I286 PolarHBondContact O-N 2.94Å |
| 283 | L | 96.8 | Very high | 92.5 | Very high | 9 Ų | 9 | 26.7 Ų | 26.7 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.7 | -35.6 | 171.1 | -70 | 177.3 | 0 | 0 | 0 | 113 | V202 L203 V206 L219 D279 M280 W281 I286 A287 | V202-L283 HydrophobicContact CB-CD2 4.3Å; V202-L283 HydrophobicContact CG1-CD2 3.46Å; V202-L283 VanDerWaalsContact CG1-CD2 3.46Å; L203-L283 HydrophobicContact CD2-CD1 3.72Å; L203-L283 HydrophobicContact CG-CD1 4.4Å; V206-L283 HydrophobicContact CB-CD1 4.28Å; V206-L283 HydrophobicContact CG1-CD1 4.18Å; V206-L283 HydrophobicContact CG2-CD1 4.15Å; L219-L283 HydrophobicContact CD1-CD2 4.15Å; L219-L283 HydrophobicContact CD1-CG 4.04Å; D279-L283 WeakPolarHBondContact O-CG 3.27Å; D279-L283 PolarHBondContact O-N 2.81Å; M280-L283 HydrophobicContact CE-CD1 4.24Å; M280-L283 PolarHBondContact O-N 3.4Å; M280-L283 HydrophobicContact SD-CD1 4.01Å; W281-L283 VanDerWaalsContact C-N 3.31Å; W281-L283 PolarHBondContact O-N 2.91Å; L283-I286 PolarHBondContact O-N 2.63Å; L283-A287 WeakPolarHBondContact O-CB 3.44Å; L283-A287 PolarHBondContact O-N 3.41Å |
| 284 | G | 95.5 | Very high | 92.5 | Very high | 14 Ų | 14 | 27.2 Ų | 27.2 | 14% | 0.144 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.8 | -41.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M280 W281 A282 A287 Y288 | M280-G284 PolarHBondContact O-N 3.05Å; W281-G284 WeakPolarHBondContact O-CA 3.48Å; W281-G284 PolarHBondContact O-N 2.8Å; A282-G284 VanDerWaalsContact C-N 3.34Å; A282-G284 PolarHBondContact O-N 2.73Å; G284-A287 PolarHBondContact O-N 2.92Å; G284-Y288 PolarHBondContact O-N 2.97Å |
| 285 | V | 94.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -47.9 | 173.4 | 173.9 | 0 | 0 | 0 | 0 | 111 | Y263 W281 A282 A287 Y288 I289 P296 | Y263-V285 HydrophobicContact CD1-CB 4.05Å; Y263-V285 HydrophobicContact CD1-CG1 3.49Å; Y263-V285 VanDerWaalsContact CD1-CG1 3.49Å; Y263-V285 HydrophobicContact CE1-CG1 3.66Å; Y263-V285 HydrophobicContact CG-CG1 4.4Å; W281-V285 PolarHBondContact O-N 2.78Å; A282-V285 PolarHBondContact O-N 3.48Å; V285-A287 PolarHBondContact O-N 3.08Å; V285-Y288 WeakPolarHBondContact O-CB 3.38Å; V285-Y288 PolarHBondContact O-N 3.01Å; V285-I289 HydrophobicContact CG1-CD1 3.94Å; V285-I289 WeakPolarHBondContact O-CD1 3.27Å; V285-I289 WeakPolarHBondContact O-CG1 3.29Å; V285-I289 PolarHBondContact O-N 2.85Å; V285-I289 VanDerWaalsContact O-N 3.11Å; V285-P296 HydrophobicContact CB-CG 4.25Å; V285-P296 HydrophobicContact CG1-CG 3.8Å; V285-P296 HydrophobicContact CG2-CG 4.1Å |
| 286 | I | 94.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62 | -43 | 177.4 | -65.4 | 161.7 | 0 | 0 | 0 | 111 | L180 L219 L224 Y263 A282 L283 Y288 I289 L290 | L180-I286 HydrophobicContact CD2-CG2 4.22Å; L219-I286 HydrophobicContact CB-CD1 4.45Å; L224-I286 HydrophobicContact CD1-CD1 4Å; L224-I286 HydrophobicContact CD1-CG2 4.33Å; Y263-I286 HydrophobicContact CD1-CG1 4.14Å; Y263-I286 HydrophobicContact CE1-CG1 4.03Å; A282-I286 WeakPolarHBondContact O-CD1 3.35Å; A282-I286 VanDerWaalsContact O-CG1 3.28Å; A282-I286 WeakPolarHBondContact O-CG1 3.27Å; A282-I286 PolarHBondContact O-N 2.94Å; L283-I286 PolarHBondContact O-N 2.63Å; I286-Y288 VanDerWaalsContact C-N 3.34Å; I286-Y288 PolarHBondContact O-N 2.75Å; I286-I289 PolarHBondContact O-N 3.1Å; I286-L290 HydrophobicContact CG2-CD1 3.91Å; I286-L290 HydrophobicContact CG2-CG 4.32Å; I286-L290 WeakPolarHBondContact O-CB 3.49Å; I286-L290 VanDerWaalsContact O-CG 3.25Å; I286-L290 WeakPolarHBondContact O-CG 3.23Å; I286-L290 PolarHBondContact O-N 2.94Å |
| 287 | A | 94.3 | Very high | 92.5 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 5% | 0.05 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.9 | -36.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L199 L283 G284 V285 L291 | L199-A287 HydrophobicContact CD1-CB 3.69Å; L199-A287 HydrophobicContact CD2-CB 3.79Å; L199-A287 HydrophobicContact CG-CB 4.42Å; L283-A287 WeakPolarHBondContact O-CB 3.44Å; L283-A287 PolarHBondContact O-N 3.41Å; G284-A287 PolarHBondContact O-N 2.92Å; V285-A287 PolarHBondContact O-N 3.08Å; A287-L291 WeakPolarHBondContact O-CD1 3.24Å; A287-L291 VanDerWaalsContact O-CG 3.24Å; A287-L291 WeakPolarHBondContact O-CG 3.29Å; A287-L291 PolarHBondContact O-N 3.21Å |
| 288 | Y | 91.9 | Very high | 92.3 | Very high | 12 Ų | 12 | 29.2 Ų | 29.2 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.1 | -54.5 | 172.7 | -176.6 | -86.7 | 0 | 0 | 0 | 110.6 | G284 V285 I286 L290 L291 S292 T294 P296 Y314 S315 Y316 L340 | G284-Y288 PolarHBondContact O-N 2.97Å; V285-Y288 WeakPolarHBondContact O-CB 3.38Å; V285-Y288 PolarHBondContact O-N 3.01Å; I286-Y288 VanDerWaalsContact C-N 3.34Å; I286-Y288 PolarHBondContact O-N 2.75Å; Y288-L290 VanDerWaalsContact C-N 3.3Å; Y288-L290 PolarHBondContact O-N 3.38Å; Y288-L291 CarbonylContact O-C 3.58Å; Y288-L291 PolarHBondContact O-N 2.98Å; Y288-S292 VanDerWaalsContact CD1-OG 3.31Å; Y288-S292 WeakPolarHBondContact CD1-OG 3.31Å; Y288-S292 VanDerWaalsContact CE1-OG 3.24Å; Y288-S292 WeakPolarHBondContact CE1-OG 3.38Å; Y288-S292 PolarHBondContact O-N 2.95Å; Y288-S292 PolarHBondContact O-OG 3.11Å; Y288-T294 WeakPolarHBondContact CD1-O 3.33Å; Y288-T294 VanDerWaalsContact CE1-O 3.29Å; Y288-T294 WeakPolarHBondContact CE1-O 3.31Å; Y288-P296 HydrophobicContact CD1-CB 3.61Å; Y288-P296 HydrophobicContact CD1-CG 4.01Å; Y288-P296 HydrophobicContact CD2-CB 4.21Å; Y288-P296 HydrophobicContact CE1-CB 3.85Å; Y288-P296 HydrophobicContact CE2-CB 4.42Å; Y288-P296 HydrophobicContact CG-CB 3.8Å; Y288-P296 HydrophobicContact CG-CG 4.27Å; Y288-Y314 HydrophobicContact CD2-CD2 4.18Å; Y288-Y314 AromaticContact CE2-CD2 3.89Å; Y288-Y314 HydrophobicContact CE2-CD2 3.89Å; Y288-S315 PolarHBondContact OH-O 2.99Å; Y288-Y316 HydrophobicContact CD2-CD2 4.45Å; Y288-Y316 AromaticContact CE2-CD2 3.95Å; Y288-Y316 HydrophobicContact CE2-CD2 3.95Å; Y288-L340 HydrophobicContact CD2-CD2 4.48Å |
| 289 | I | 90.9 | Very high | 92 | Very high | 17 Ų | 17 | 30.7 Ų | 30.7 | 9% | 0.087 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.9 | -38.6 | -177.3 | -55.3 | 154.6 | 0 | 0 | 0 | 111.5 | F181 Y263 V285 I286 L291 G293 T294 M295 | F181-I289 HydrophobicContact CE1-CG2 4.14Å; F181-I289 HydrophobicContact CE2-CB 4.31Å; F181-I289 HydrophobicContact CE2-CD1 4.19Å; F181-I289 HydrophobicContact CE2-CG2 3.57Å; F181-I289 HydrophobicContact CZ-CB 3.73Å; F181-I289 HydrophobicContact CZ-CD1 4.05Å; F181-I289 HydrophobicContact CZ-CG1 4.5Å; F181-I289 HydrophobicContact CZ-CG2 3.33Å; Y263-I289 HydrophobicContact CE1-CD1 3.97Å; V285-I289 HydrophobicContact CG1-CD1 3.94Å; V285-I289 WeakPolarHBondContact O-CD1 3.27Å; V285-I289 WeakPolarHBondContact O-CG1 3.29Å; V285-I289 PolarHBondContact O-N 2.85Å; V285-I289 VanDerWaalsContact O-N 3.11Å; I286-I289 PolarHBondContact O-N 3.1Å; I289-L291 PolarHBondContact O-N 3.3Å; I289-G293 WeakPolarHBondContact O-CA 3.48Å; I289-G293 PolarHBondContact O-N 3.06Å; I289-T294 WeakPolarHBondContact CG1-O 3.45Å; I289-M295 HydrophobicContact CD1-CE 4.33Å; I289-M295 HydrophobicContact CD1-SD 3.53Å; I289-M295 VanDerWaalsContact CD1-SD 3.53Å; I289-M295 HydrophobicContact CG1-SD 3.94Å |
| 290 | L | 90.2 | Very high | 91.7 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 7% | 0.068 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.9 | -17 | 175.1 | -73.6 | 173.8 | 0 | 0 | 0 | 114.4 | L180 F181 I184 F190 A195 V198 L199 I286 Y288 | L180-L290 HydrophobicContact CD1-CD2 4.38Å; L180-L290 HydrophobicContact CD2-CD1 4.47Å; L180-L290 HydrophobicContact CD2-CD2 4.26Å; L180-L290 HydrophobicContact CG-CD2 4.37Å; F181-L290 HydrophobicContact CD1-CD2 4.4Å; F181-L290 HydrophobicContact CE1-CD2 3.87Å; F181-L290 HydrophobicContact CE1-CG 4.26Å; I184-L290 HydrophobicContact CD1-CD2 3.3Å; F190-L290 HydrophobicContact CE1-CB 4.4Å; F190-L290 HydrophobicContact CE1-CD2 3.8Å; F190-L290 HydrophobicContact CZ-CD2 3.91Å; A195-L290 HydrophobicContact CB-CB 4.2Å; V198-L290 HydrophobicContact CG1-CD1 3.99Å; L199-L290 HydrophobicContact CD1-CD1 4.44Å; L199-L290 HydrophobicContact CD2-CD1 3.9Å; L199-L290 HydrophobicContact CG-CD1 3.92Å; I286-L290 HydrophobicContact CG2-CD1 3.91Å; I286-L290 HydrophobicContact CG2-CG 4.32Å; I286-L290 WeakPolarHBondContact O-CB 3.49Å; I286-L290 VanDerWaalsContact O-CG 3.25Å; I286-L290 WeakPolarHBondContact O-CG 3.23Å; I286-L290 PolarHBondContact O-N 2.94Å; Y288-L290 VanDerWaalsContact C-N 3.3Å; Y288-L290 PolarHBondContact O-N 3.38Å |
| 291 | L | 88.9 | Confident | 91.5 | Very high | 32 Ų | 32 | 38.3 Ų | 38.3 | 17% | 0.168 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -112.7 | -25.6 | -177.2 | -66 | 175.3 | 0 | 0 | 0 | 113.4 | E192 A195 A287 Y288 I289 Y316 I339 | E192-L291 HydrophobicContact CB-CD2 4.43Å; E192-L291 HydrophobicContact CG-CD2 3.83Å; A195-L291 HydrophobicContact CB-CD2 3.85Å; A287-L291 WeakPolarHBondContact O-CD1 3.24Å; A287-L291 VanDerWaalsContact O-CG 3.24Å; A287-L291 WeakPolarHBondContact O-CG 3.29Å; A287-L291 PolarHBondContact O-N 3.21Å; Y288-L291 CarbonylContact O-C 3.58Å; Y288-L291 PolarHBondContact O-N 2.98Å; I289-L291 PolarHBondContact O-N 3.3Å; L291-Y316 PolarHBondContact O-OH 2.92Å; L291-I339 HydrophobicContact CD1-CB 4.46Å; L291-I339 HydrophobicContact CD1-CG2 4.33Å |
| 292 | S | 87.1 | Confident | 91.1 | Very high | 35 Ų | 35 | 41.6 Ų | 41.6 | 25% | 0.245 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -105.2 | -22.4 | 179.9 | 65.2 | 0 | 0 | 0 | 0 | 114.5 | Y288 T294 | Y288-S292 VanDerWaalsContact CD1-OG 3.31Å; Y288-S292 WeakPolarHBondContact CD1-OG 3.31Å; Y288-S292 VanDerWaalsContact CE1-OG 3.24Å; Y288-S292 WeakPolarHBondContact CE1-OG 3.38Å; Y288-S292 PolarHBondContact O-N 2.95Å; Y288-S292 PolarHBondContact O-OG 3.11Å; S292-T294 WeakPolarHBondContact CB-OG1 3.46Å; S292-T294 PolarHBondContact O-N 3.26Å; S292-T294 PolarHBondContact OG-N 3Å; S292-T294 PolarHBondContact OG-O 3.07Å; S292-T294 PolarHBondContact OG-OG1 3.46Å; S292-T294 VanDerWaalsContact OG-OG1 3.08Å |
| 293 | G | 85.3 | Confident | 90.8 | Very high | 68 Ų | 68 | 44.3 Ų | 44.3 | 70% | 0.701 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 70.1 | 8.6 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I289 | I289-G293 WeakPolarHBondContact O-CA 3.48Å; I289-G293 PolarHBondContact O-N 3.06Å |
| 294 | T | 87.1 | Confident | 90.5 | Very high | 76 Ų | 76 | 49.6 Ų | 49.6 | 47% | 0.466 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -134.4 | 157.4 | -173.6 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | Y288 I289 S292 | Y288-T294 WeakPolarHBondContact CD1-O 3.33Å; Y288-T294 VanDerWaalsContact CE1-O 3.29Å; Y288-T294 WeakPolarHBondContact CE1-O 3.31Å; I289-T294 WeakPolarHBondContact CG1-O 3.45Å; S292-T294 WeakPolarHBondContact CB-OG1 3.46Å; S292-T294 PolarHBondContact O-N 3.26Å; S292-T294 PolarHBondContact OG-N 3Å; S292-T294 PolarHBondContact OG-O 3.07Å; S292-T294 PolarHBondContact OG-OG1 3.46Å; S292-T294 VanDerWaalsContact OG-OG1 3.08Å |
| 295 | M | 90 | Very high | 90.3 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 21% | 0.207 | 27% | 0.265 | C | S | . | . | trans | -70.6 | 141.9 | 173.6 | -64.1 | -61.9 | -74.6 | 0 | 0 | 111.2 | E262 I289 E298 | E262-M295 HydrophobicContact CB-CE 3.67Å; E262-M295 HydrophobicContact CG-CE 4.21Å; I289-M295 HydrophobicContact CD1-CE 4.33Å; I289-M295 HydrophobicContact CD1-SD 3.53Å; I289-M295 VanDerWaalsContact CD1-SD 3.53Å; I289-M295 HydrophobicContact CG1-SD 3.94Å; M295-E298 HydrophobicContact CB-CB 3.91Å; M295-E298 HydrophobicContact CG-CB 4.5Å | ||
| 296 | P | 89.8 | Confident | 90.1 | Very high | 14 Ų | 14 | 49.6 Ų | 49.6 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -77.5 | -24.6 | 174 | 29 | -31.8 | 0 | 0 | 0 | 112.8 | V285 Y288 | V285-P296 HydrophobicContact CB-CG 4.25Å; V285-P296 HydrophobicContact CG1-CG 3.8Å; V285-P296 HydrophobicContact CG2-CG 4.1Å; Y288-P296 HydrophobicContact CD1-CB 3.61Å; Y288-P296 HydrophobicContact CD1-CG 4.01Å; Y288-P296 HydrophobicContact CD2-CB 4.21Å; Y288-P296 HydrophobicContact CE1-CB 3.85Å; Y288-P296 HydrophobicContact CE2-CB 4.42Å; Y288-P296 HydrophobicContact CG-CB 3.8Å; Y288-P296 HydrophobicContact CG-CG 4.27Å |
| 297 | F | 91.5 | Very high | 89.9 | Confident | 7 Ų | 7 | 54 Ų | 54 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -141.6 | 125 | 176.8 | -46.1 | -69.3 | 0 | 0 | 0 | 108.3 | W281 L305 Q308 I309 Y314 | W281-F297 HydrophobicContact CH2-CE2 4.11Å; W281-F297 HydrophobicContact CH2-CZ 4.09Å; W281-F297 HydrophobicContact CZ2-CD2 4.41Å; W281-F297 AromaticContact CZ2-CE2 3.51Å; W281-F297 HydrophobicContact CZ2-CE2 3.51Å; W281-F297 AromaticContact CZ2-CZ 3.96Å; W281-F297 HydrophobicContact CZ2-CZ 3.96Å; F297-L305 HydrophobicContact CB-CD1 3.86Å; F297-Q308 VanDerWaalsContact CA-OE1 3.27Å; F297-Q308 HydrophobicContact CB-CB 4.32Å; F297-Q308 HydrophobicContact CD1-CB 3.96Å; F297-I309 HydrophobicContact CB-CG1 3.86Å; F297-I309 HydrophobicContact CD1-CG1 4.47Å; F297-I309 HydrophobicContact CD2-CG1 3.82Å; F297-I309 HydrophobicContact CG-CG1 3.79Å; F297-Y314 HydrophobicContact CE1-CD1 4.49Å; F297-Y314 HydrophobicContact CZ-CD1 4.17Å |
| 298 | E | 88.4 | Confident | 89.7 | Confident | 136 Ų | 136 | 56.5 Ų | 56.5 | 64% | 0.636 | 29% | 0.293 | S | S | * | . | trans | -155.8 | 130.5 | -175.8 | -171.5 | 162.8 | -150 | 0 | 0 | 110.2 | M295 Q308 | M295-E298 HydrophobicContact CB-CB 3.91Å; M295-E298 HydrophobicContact CG-CB 4.5Å; E298-Q308 PolarHBondContact O-NE2 3.21Å; E298-Q308 PolarHBondContact O-OE1 3.38Å | ||
| 299 | D | 89.9 | Confident | 89.6 | Confident | 41 Ų | 41 | 56 Ų | 56 | 22% | 0.219 | 29% | 0.291 | C | S | . | . | trans | -168.3 | 130.1 | 175.2 | -160 | -54.2 | 0 | 0 | 0 | 110.3 | N301 R304 L305 | D299-N301 PolarHBondContact O-N 3.24Å; D299-N301 VanDerWaalsContact O-N 3.1Å; D299-N301 WeakPolarHBondContact OD1-CB 3.33Å; D299-N301 PolarHBondContact OD1-N 3.24Å; D299-R304 HydrophobicContact CB-CB 4.17Å; D299-R304 VanDerWaalsContact CG-CB 3.46Å; D299-R304 IonicContact OD1-CZ 3.19Å; D299-R304 IonicContact OD1-NE 2.8Å; D299-R304 PolarHBondContact OD1-NE 3.35Å; D299-R304 IonicContact OD1-NH2 2.77Å; D299-R304 PolarHBondContact OD1-NH2 3.07Å; D299-R304 WeakPolarHBondContact OD2-CB 3.39Å; D299-R304 WeakPolarHBondContact OD2-CD 3.2Å; D299-R304 IonicContact OD2-CZ 3.73Å; D299-R304 IonicContact OD2-NE 3.01Å; D299-R304 PolarHBondContact OD2-NE 3.38Å; D299-R304 IonicContact OD2-NH2 2.93Å; D299-L305 HydrophobicContact CB-CB 4.08Å | ||
| 300 | D | 90 | Very high | 89.6 | Confident | 168 Ų | 168 | 55.9 Ų | 55.9 | 90% | 0.898 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -53.6 | -31 | 173.9 | -60.2 | -55.6 | 0 | 0 | 0 | 112.7 | R302 | D300-R302 PolarHBondContact O-N 3.03Š|
| 301 | N | 92 | Very high | 89.5 | Confident | 69 Ų | 69 | 63.5 Ų | 63.5 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -89.9 | 104.8 | 177.1 | -171 | -75.7 | 0 | 0 | 0 | 110.3 | D299 T303 R304 L305 | D299-N301 PolarHBondContact O-N 3.24Å; D299-N301 VanDerWaalsContact O-N 3.1Å; D299-N301 WeakPolarHBondContact OD1-CB 3.33Å; D299-N301 PolarHBondContact OD1-N 3.24Å; N301-T303 PolarHBondContact O-N 3.05Å; N301-T303 VanDerWaalsContact OD1-CB 3.31Å; N301-T303 WeakPolarHBondContact OD1-CB 3.34Å; N301-T303 PolarHBondContact OD1-N 3.41Å; N301-T303 VanDerWaalsContact OD1-N 3.12Å; N301-R304 HydrophobicContact CB-CB 4.2Å; N301-R304 HydrophobicContact CB-CG 4.02Å; N301-R304 WeakPolarHBondContact O-CA 3.4Å; N301-R304 WeakPolarHBondContact O-CB 3.29Å; N301-R304 PolarHBondContact O-N 3.31Å; N301-R304 PolarHBondContact OD1-N 3.36Å; N301-R304 VanDerWaalsContact OD1-N 3.17Å; N301-L305 PolarHBondContact O-N 3.18Å |
| 302 | R | 88.6 | Confident | 89.3 | Confident | 103 Ų | 103 | 63.6 Ų | 63.6 | 39% | 0.389 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -46.1 | -38 | 176.8 | -67.1 | 165.5 | 65.5 | 93.5 | -9.4 | 114.1 | D300 L305 Y306 | D300-R302 PolarHBondContact O-N 3.03Å; R302-L305 PolarHBondContact O-N 3.13Å; R302-Y306 HydrophobicContact CB-CE2 4.18Å; R302-Y306 VanDerWaalsContact CZ-OH 3.3Å; R302-Y306 PolarHBondContact NH2-OH 3.39Å; R302-Y306 VanDerWaalsContact NH2-OH 3.14Å; R302-Y306 WeakPolarHBondContact O-CB 3.44Å; R302-Y306 WeakPolarHBondContact O-CD2 3.36Å; R302-Y306 PolarHBondContact O-N 3.05Å |
| 303 | T | 89.6 | Confident | 88.9 | Confident | 61 Ų | 61 | 70.3 Ų | 70.3 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.8 | -31.4 | 178.5 | -49.9 | 0 | 0 | 0 | 0 | 112.4 | P13 N301 R307 | P13-T303 HydrophobicContact CG-CG2 4.16Å; N301-T303 PolarHBondContact O-N 3.05Å; N301-T303 VanDerWaalsContact OD1-CB 3.31Å; N301-T303 WeakPolarHBondContact OD1-CB 3.34Å; N301-T303 PolarHBondContact OD1-N 3.41Å; N301-T303 VanDerWaalsContact OD1-N 3.12Å; T303-R307 WeakPolarHBondContact O-CB 3.35Å; T303-R307 PolarHBondContact O-N 3.16Å |
| 304 | R | 90.9 | Very high | 88.7 | Confident | 120 Ų | 120 | 71.8 Ų | 71.8 | 45% | 0.453 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -75.2 | -43.4 | 170.7 | -62.6 | -167.9 | -58 | -123.6 | -0.2 | 111.3 | D299 N301 Y306 R307 Q308 | D299-R304 HydrophobicContact CB-CB 4.17Å; D299-R304 VanDerWaalsContact CG-CB 3.46Å; D299-R304 IonicContact OD1-CZ 3.19Å; D299-R304 IonicContact OD1-NE 2.8Å; D299-R304 PolarHBondContact OD1-NE 3.35Å; D299-R304 IonicContact OD1-NH2 2.77Å; D299-R304 PolarHBondContact OD1-NH2 3.07Å; D299-R304 WeakPolarHBondContact OD2-CB 3.39Å; D299-R304 WeakPolarHBondContact OD2-CD 3.2Å; D299-R304 IonicContact OD2-CZ 3.73Å; D299-R304 IonicContact OD2-NE 3.01Å; D299-R304 PolarHBondContact OD2-NE 3.38Å; D299-R304 IonicContact OD2-NH2 2.93Å; N301-R304 HydrophobicContact CB-CB 4.2Å; N301-R304 HydrophobicContact CB-CG 4.02Å; N301-R304 WeakPolarHBondContact O-CA 3.4Å; N301-R304 WeakPolarHBondContact O-CB 3.29Å; N301-R304 PolarHBondContact O-N 3.31Å; N301-R304 PolarHBondContact OD1-N 3.36Å; N301-R304 VanDerWaalsContact OD1-N 3.17Å; R304-Y306 PolarHBondContact O-N 2.95Å; R304-R307 CarbonylContact O-C 3.51Å; R304-R307 WeakPolarHBondContact O-CA 3.35Å; R304-R307 WeakPolarHBondContact O-CB 3.21Å; R304-R307 PolarHBondContact O-N 3.31Å; R304-Q308 PolarHBondContact O-N 3.25Å |
| 305 | L | 90.4 | Very high | 88.1 | Confident | 4 Ų | 4 | 72.5 Ų | 72.5 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -53.5 | -51.9 | 172.8 | 175.8 | 62.3 | 0 | 0 | 0 | 111.6 | P261 E262 F297 D299 N301 R302 R307 Q308 I309 | P261-L305 HydrophobicContact CB-CD2 4.39Å; E262-L305 HydrophobicContact CG-CD2 4.32Å; F297-L305 HydrophobicContact CB-CD1 3.86Å; D299-L305 HydrophobicContact CB-CB 4.08Å; N301-L305 PolarHBondContact O-N 3.18Å; R302-L305 PolarHBondContact O-N 3.13Å; L305-R307 VanDerWaalsContact C-N 3.25Å; L305-R307 PolarHBondContact O-N 2.95Å; L305-Q308 WeakPolarHBondContact O-CB 3.44Å; L305-Q308 PolarHBondContact O-N 3.14Å; L305-I309 HydrophobicContact CD1-CD1 4.09Å; L305-I309 HydrophobicContact CD1-CG1 4.44Å; L305-I309 HydrophobicContact CG-CD1 4.02Å; L305-I309 WeakPolarHBondContact O-CG1 3.49Å; L305-I309 PolarHBondContact O-N 3.28Å |
| 306 | Y | 91.2 | Very high | 87.1 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 6% | 0.059 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.4 | -35.3 | 175.8 | -59.7 | -25.4 | 0 | 0 | 0 | 112.1 | P10 P261 L269 R302 R304 Q308 I309 L310 | P10-Y306 HydrophobicContact CG-CE2 4.19Å; P261-Y306 HydrophobicContact CB-CE1 4.13Å; L269-Y306 HydrophobicContact CD1-CD1 3.84Å; L269-Y306 HydrophobicContact CD1-CG 4.19Å; L269-Y306 HydrophobicContact CD2-CD1 3.64Å; L269-Y306 HydrophobicContact CD2-CE1 3.77Å; L269-Y306 HydrophobicContact CD2-CG 4.06Å; L269-Y306 HydrophobicContact CG-CD1 4.43Å; R302-Y306 HydrophobicContact CB-CE2 4.18Å; R302-Y306 VanDerWaalsContact CZ-OH 3.3Å; R302-Y306 PolarHBondContact NH2-OH 3.39Å; R302-Y306 VanDerWaalsContact NH2-OH 3.14Å; R302-Y306 WeakPolarHBondContact O-CB 3.44Å; R302-Y306 WeakPolarHBondContact O-CD2 3.36Å; R302-Y306 PolarHBondContact O-N 3.05Å; R304-Y306 PolarHBondContact O-N 2.95Å; Y306-Q308 VanDerWaalsContact C-N 3.35Å; Y306-I309 PolarHBondContact O-N 3.02Å; Y306-L310 VanDerWaalsContact O-CB 3.25Å; Y306-L310 WeakPolarHBondContact O-CB 3.38Å; Y306-L310 WeakPolarHBondContact O-CG 3.49Å; Y306-L310 PolarHBondContact O-N 2.99Å |
| 307 | R | 90.6 | Very high | 85.8 | Confident | 96 Ų | 96 | 79.9 Ų | 79.9 | 36% | 0.362 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.8 | -29.8 | 174.3 | -167.4 | -177.4 | -67.7 | 122.9 | -6.2 | 112.8 | T303 R304 L305 R311 | T303-R307 WeakPolarHBondContact O-CB 3.35Å; T303-R307 PolarHBondContact O-N 3.16Å; R304-R307 CarbonylContact O-C 3.51Å; R304-R307 WeakPolarHBondContact O-CA 3.35Å; R304-R307 WeakPolarHBondContact O-CB 3.21Å; R304-R307 PolarHBondContact O-N 3.31Å; L305-R307 VanDerWaalsContact C-N 3.25Å; L305-R307 PolarHBondContact O-N 2.95Å; R307-R311 WeakPolarHBondContact O-CB 3.36Å; R307-R311 VanDerWaalsContact O-CD 3.27Å; R307-R311 WeakPolarHBondContact O-CD 3.24Å; R307-R311 WeakPolarHBondContact O-CG 3.48Å; R307-R311 PolarHBondContact O-N 3.02Å |
| 308 | Q | 89.1 | Confident | 83.9 | Confident | 58 Ų | 58 | 81.3 Ų | 81.3 | 27% | 0.271 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.8 | -53 | 170.7 | -61.9 | 177.5 | 14.8 | 0 | 0 | 110.4 | F297 E298 R304 L305 Y306 L310 R311 G312 | F297-Q308 VanDerWaalsContact CA-OE1 3.27Å; F297-Q308 HydrophobicContact CB-CB 4.32Å; F297-Q308 HydrophobicContact CD1-CB 3.96Å; E298-Q308 PolarHBondContact O-NE2 3.21Å; E298-Q308 PolarHBondContact O-OE1 3.38Å; R304-Q308 PolarHBondContact O-N 3.25Å; L305-Q308 WeakPolarHBondContact O-CB 3.44Å; L305-Q308 PolarHBondContact O-N 3.14Å; Y306-Q308 VanDerWaalsContact C-N 3.35Å; Q308-L310 PolarHBondContact O-N 3.38Å; Q308-R311 PolarHBondContact O-N 2.94Å; Q308-R311 VanDerWaalsContact O-N 3.08Å; Q308-G312 PolarHBondContact O-N 3.29Å; Q308-G312 VanDerWaalsContact O-N 3.14Å |
| 309 | I | 90.3 | Very high | 81.9 | Confident | 1 Ų | 1 | 83.7 Ų | 83.7 | 1% | 0.005 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -55.7 | -50.4 | 179.5 | -66.4 | 169.4 | 0 | 0 | 0 | 111.1 | P261 I264 P266 L269 W281 F297 L305 Y306 R311 G312 | P261-I309 WeakPolarHBondContact O-CD1 3.13Å; I264-I309 HydrophobicContact CG2-CD1 4.32Å; P266-I309 HydrophobicContact CB-CG2 4.31Å; L269-I309 HydrophobicContact CD1-CB 4.04Å; L269-I309 HydrophobicContact CD1-CD1 4.34Å; L269-I309 HydrophobicContact CD1-CG2 3.61Å; W281-I309 HydrophobicContact CZ2-CG2 3.9Å; F297-I309 HydrophobicContact CB-CG1 3.86Å; F297-I309 HydrophobicContact CD1-CG1 4.47Å; F297-I309 HydrophobicContact CD2-CG1 3.82Å; F297-I309 HydrophobicContact CG-CG1 3.79Å; L305-I309 HydrophobicContact CD1-CD1 4.09Å; L305-I309 HydrophobicContact CD1-CG1 4.44Å; L305-I309 HydrophobicContact CG-CD1 4.02Å; L305-I309 WeakPolarHBondContact O-CG1 3.49Å; L305-I309 PolarHBondContact O-N 3.28Å; Y306-I309 PolarHBondContact O-N 3.02Å; I309-R311 PolarHBondContact O-N 2.63Å; I309-G312 PolarHBondContact O-N 2.86Å |
| 310 | L | 90 | Very high | 79.9 | Confident | 15 Ų | 15 | 86 Ų | 86 | 8% | 0.079 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.6 | -21.8 | 179.6 | -69.3 | 173.7 | 0 | 0 | 0 | 114 | V16 P266 L269 V270 Y306 Q308 | V16-L310 HydrophobicContact CG1-CD1 4.48Å; P266-L310 HydrophobicContact CB-CD2 3.92Å; L269-L310 HydrophobicContact CB-CD2 4.07Å; L269-L310 HydrophobicContact CD1-CD2 4.39Å; L269-L310 HydrophobicContact CD1-CG 4.3Å; V270-L310 HydrophobicContact CG1-CD1 4.38Å; V270-L310 HydrophobicContact CG1-CD2 3.68Å; Y306-L310 VanDerWaalsContact O-CB 3.25Å; Y306-L310 WeakPolarHBondContact O-CB 3.38Å; Y306-L310 WeakPolarHBondContact O-CG 3.49Å; Y306-L310 PolarHBondContact O-N 2.99Å; Q308-L310 PolarHBondContact O-N 3.38Å |
| 311 | R | 89.3 | Confident | 77.5 | Confident | 172 Ų | 172 | 83.6 Ų | 83.6 | 65% | 0.649 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -85.7 | -16.5 | 173.4 | -76.7 | 172.7 | 171.8 | -178.9 | -5.7 | 112.8 | R307 Q308 I309 K313 | R307-R311 WeakPolarHBondContact O-CB 3.36Å; R307-R311 VanDerWaalsContact O-CD 3.27Å; R307-R311 WeakPolarHBondContact O-CD 3.24Å; R307-R311 WeakPolarHBondContact O-CG 3.48Å; R307-R311 PolarHBondContact O-N 3.02Å; Q308-R311 PolarHBondContact O-N 2.94Å; Q308-R311 VanDerWaalsContact O-N 3.08Å; I309-R311 PolarHBondContact O-N 2.63Å; R311-K313 HydrophobicContact CB-CB 4.47Å; R311-K313 HydrophobicContact CB-CG 4.32Å; R311-K313 PolarHBondContact O-N 3.2Å; R311-K313 VanDerWaalsContact O-N 3.08Å |
| 312 | G | 84.9 | Confident | 75.3 | Confident | 35 Ų | 35 | 87.2 Ų | 87.2 | 36% | 0.361 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 14.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q308 I309 Y314 | Q308-G312 PolarHBondContact O-N 3.29Å; Q308-G312 VanDerWaalsContact O-N 3.14Å; I309-G312 PolarHBondContact O-N 2.86Å; G312-Y314 WeakPolarHBondContact O-CD1 3.38Å; G312-Y314 PolarHBondContact O-N 2.75Å |
| 313 | K | 77.5 | Confident | 72.8 | Confident | 175 Ų | 175 | 87.6 Ų | 87.6 | 76% | 0.761 | 46% | 0.464 | S | S | * | . | trans | -91.9 | 91.4 | -175.2 | -71.1 | -167.8 | 178.1 | -169.4 | 0 | 110.7 | R311 | R311-K313 HydrophobicContact CB-CB 4.47Å; R311-K313 HydrophobicContact CB-CG 4.32Å; R311-K313 PolarHBondContact O-N 3.2Å; R311-K313 VanDerWaalsContact O-N 3.08Å | ||
| 314 | Y | 80.8 | Confident | 70.2 | Confident | 100 Ų | 100 | 88.6 Ų | 88.6 | 39% | 0.392 | 47% | 0.473 | S | S | . | . | trans | -104.3 | 156.2 | 166.9 | 61.8 | -84.4 | 0 | 0 | 0 | 110.1 | Y288 F297 G312 | Y288-Y314 HydrophobicContact CD2-CD2 4.18Å; Y288-Y314 AromaticContact CE2-CD2 3.89Å; Y288-Y314 HydrophobicContact CE2-CD2 3.89Å; F297-Y314 HydrophobicContact CE1-CD1 4.49Å; F297-Y314 HydrophobicContact CZ-CD1 4.17Å; G312-Y314 WeakPolarHBondContact O-CD1 3.38Å; G312-Y314 PolarHBondContact O-N 2.75Å | ||
| 315 | S | 74.8 | Confident | 67.5 | Low | 91 Ų | 91 | 89.2 Ų | 89.2 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | trans | -132.1 | 103 | -176.5 | 56.5 | 0 | 0 | 0 | 0 | 111.9 | Y288 S317 | Y288-S315 PolarHBondContact OH-O 2.99Å; S315-S317 PolarHBondContact O-N 2.67Å | ||
| 316 | Y | 70.2 | Confident | 64.8 | Low | 98 Ų | 98 | 91.4 Ų | 91.4 | 38% | 0.384 | 51% | 0.507 | S | S | . | . | trans | -76.5 | 92.5 | 173 | -168.9 | -85.5 | 0 | 0 | 0 | 110.1 | Y288 L291 L340 | Y288-Y316 HydrophobicContact CD2-CD2 4.45Å; Y288-Y316 AromaticContact CE2-CD2 3.95Å; Y288-Y316 HydrophobicContact CE2-CD2 3.95Å; L291-Y316 PolarHBondContact O-OH 2.92Å; Y316-L340 HydrophobicContact CD2-CD1 4.43Å | ||
| 317 | S | 61 | Low | 62 | Low | 112 Ų | 112 | 97.3 Ų | 97.3 | 78% | 0.783 | 55% | 0.547 | S | S | * | . | trans | -97.6 | 17.9 | 177.5 | 60.8 | 0 | 0 | 0 | 0 | 113.5 | S315 E319 | S315-S317 PolarHBondContact O-N 2.67Å; S317-E319 PolarHBondContact O-N 3.34Å; S317-E319 VanDerWaalsContact O-N 3.13Å | ||
| 318 | G | 52.4 | Low | 59.4 | Low | 37 Ų | 37 | 95.5 Ų | 95.5 | 38% | 0.381 | 56% | 0.559 | S | S | . | * | trans | -69.3 | 106.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V320 | G318-V320 PolarHBondContact O-N 3.46Š| ||
| 319 | E | 46.8 | Very low | 56.8 | Low | 187 Ų | 187 | 98.1 Ų | 98.1 | 87% | 0.874 | 58% | 0.582 | S | S | * | * | trans | -56.3 | 115.6 | 148.7 | -72.8 | -168.1 | 163.4 | 0 | 0 | 107.2 | S317 S321 | S317-E319 PolarHBondContact O-N 3.34Å; S317-E319 VanDerWaalsContact O-N 3.13Å; E319-S321 PolarHBondContact O-N 2.87Å; E319-S321 VanDerWaalsContact O-N 3.1Å | ||
| 320 | V | 46.8 | Very low | 54.1 | Low | 90 Ų | 90 | 110.2 Ų | 110.2 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | trans | -75 | 108.4 | 180 | -148.1 | 0 | 0 | 0 | 0 | 107 | G318 L322 | G318-V320 PolarHBondContact O-N 3.46Å; V320-L322 HydrophobicContact CB-CD1 3.91Å; V320-L322 HydrophobicContact CB-CG 3.83Å; V320-L322 HydrophobicContact CG1-CD1 3.85Å; V320-L322 HydrophobicContact CG1-CD2 3.92Å; V320-L322 HydrophobicContact CG1-CG 3.59Å; V320-L322 PolarHBondContact O-N 3.1Å | ||
| 321 | S | 40.5 | Very low | 51.4 | Low | 116 Ų | 116 | 113.6 Ų | 113.6 | 81% | 0.811 | 67% | 0.666 | S | S | * | * | trans | -72.4 | 56 | -178.6 | 45.3 | 0 | 0 | 0 | 0 | 112.2 | E319 S323 | E319-S321 PolarHBondContact O-N 2.87Å; E319-S321 VanDerWaalsContact O-N 3.1Å; S321-S323 PolarHBondContact O-N 3.08Å | ||
| 322 | L | 45.8 | Very low | 48.7 | Very low | 145 Ų | 145 | 109 Ų | 109 | 76% | 0.759 | 67% | 0.673 | S | S | * | * | trans | -79.8 | 57.1 | -175.6 | -66.2 | 173.7 | 0 | 0 | 0 | 112.4 | V320 C324 | V320-L322 HydrophobicContact CB-CD1 3.91Å; V320-L322 HydrophobicContact CB-CG 3.83Å; V320-L322 HydrophobicContact CG1-CD1 3.85Å; V320-L322 HydrophobicContact CG1-CD2 3.92Å; V320-L322 HydrophobicContact CG1-CG 3.59Å; V320-L322 PolarHBondContact O-N 3.1Å; L322-C324 PolarHBondContact O-N 3.14Å | ||
| 323 | S | 35 | Very low | 46.6 | Very low | 111 Ų | 111 | 113.8 Ų | 113.8 | 78% | 0.776 | 70% | 0.695 | S | S | * | * | trans | -76.7 | 69.7 | 161.3 | 47.2 | 0 | 0 | 0 | 0 | 110.3 | S321 P325 | S321-S323 PolarHBondContact O-N 3.08Å; S323-P325 VanDerWaalsContact O-CD 3.23Å; S323-P325 WeakPolarHBondContact O-CD 3.27Å | ||
| 324 | C | 35.6 | Very low | 44.7 | Very low | 83 Ų | 83 | 108.7 Ų | 108.7 | 56% | 0.561 | 68% | 0.681 | S | S | * | * | trans | -79.4 | 112 | 158.5 | -169.9 | 0 | 0 | 0 | 0 | 107.9 | L322 C326 | L322-C324 PolarHBondContact O-N 3.14Å; C324-C326 HydrophobicContact CB-CB 4.38Å; C324-C326 WeakPolarHBondContact CB-SG 3.41Å; C324-C326 PolarHBondContact O-N 3.08Å; C324-C326 WeakPolarHBondContact SG-CB 3.15Å; C324-C326 CovalentContact SG-SG 2.05Å; C324-C326 PolarHBondContact SG-SG 3.43Å | ||
| 325 | P | 33.7 | Very low | 42.5 | Very low | 132 Ų | 132 | 105.5 Ų | 105.5 | 86% | 0.857 | 68% | 0.678 | S | S | * | * | trans | -78.5 | 42.4 | 178 | 36 | -37.6 | 0 | 0 | 0 | 110.9 | S323 P327 | S323-P325 VanDerWaalsContact O-CD 3.23Å; S323-P325 WeakPolarHBondContact O-CD 3.27Å; P325-P327 VanDerWaalsContact O-CD 3.24Å; P325-P327 WeakPolarHBondContact O-CD 3.38Å | ||
| 326 | C | 34.3 | Very low | 40.7 | Very low | 50 Ų | 50 | 101.8 Ų | 101.8 | 34% | 0.338 | 65% | 0.654 | S | S | . | * | trans | -112.1 | 89.8 | -169.2 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | C324 G328 | C324-C326 HydrophobicContact CB-CB 4.38Å; C324-C326 WeakPolarHBondContact CB-SG 3.41Å; C324-C326 PolarHBondContact O-N 3.08Å; C324-C326 WeakPolarHBondContact SG-CB 3.15Å; C324-C326 CovalentContact SG-SG 2.05Å; C324-C326 PolarHBondContact SG-SG 3.43Å; C326-G328 VanDerWaalsContact C-N 3.34Å; C326-G328 PolarHBondContact O-N 3Å | ||
| 327 | P | 33.2 | Very low | 39 | Very low | 139 Ų | 139 | 106.2 Ų | 106.2 | 90% | 0.903 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 87.1 | -179.5 | 29.9 | -35.3 | 0 | 0 | 0 | 110.8 | P325 | P325-P327 VanDerWaalsContact O-CD 3.24Å; P325-P327 WeakPolarHBondContact O-CD 3.38Å |
| 328 | G | 35.5 | Very low | 37.8 | Very low | 59 Ų | 59 | 107.6 Ų | 107.6 | 61% | 0.608 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 175.7 | -25.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | C326 W330 | C326-G328 VanDerWaalsContact C-N 3.34Å; C326-G328 PolarHBondContact O-N 3Å; G328-W330 VanDerWaalsContact C-N 3.27Å; G328-W330 PolarHBondContact O-N 3.46Å |
| 329 | C | 34 | Very low | 37 | Very low | 113 Ų | 113 | 107.7 Ų | 107.7 | 76% | 0.764 | 65% | 0.651 | S | S | * | * | trans | -80.1 | 62 | -176.7 | -65.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 330 | W | 34.7 | Very low | 36.7 | Very low | 254 Ų | 254 | 100.4 Ų | 100.4 | 96% | 0.962 | 62% | 0.618 | S | S | * | * | trans | -80.3 | 124.7 | 167.8 | -83.9 | 64.3 | 0 | 0 | 0 | 110.8 | G328 | G328-W330 VanDerWaalsContact C-N 3.27Å; G328-W330 PolarHBondContact O-N 3.46Å | ||
| 331 | G | 33 | Very low | 35.9 | Very low | 86 Ų | 86 | 101 Ų | 101 | 89% | 0.887 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 89.4 | 90.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 332 | G | 31.4 | Very low | 35.6 | Very low | 77 Ų | 77 | 101.2 Ų | 101.2 | 79% | 0.794 | 61% | 0.606 | S | S | * | * | trans | -178 | 32.3 | -178 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 333 | T | 40.8 | Very low | 35.3 | Very low | 135 Ų | 135 | 95.9 Ų | 95.9 | 83% | 0.828 | 58% | 0.581 | S | S | * | * | trans | -67.6 | 147.7 | 174 | 45.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 334 | C | 39.3 | Very low | 35.4 | Very low | 67 Ų | 67 | 93.7 Ų | 93.7 | 45% | 0.453 | 56% | 0.562 | S | S | . | * | trans | 76.6 | 78.7 | 171.7 | -58.7 | 0 | 0 | 0 | 0 | 116.8 | Y338 | C334-Y338 HydrophobicContact CB-CD2 4.16Å; C334-Y338 HydrophobicContact CB-CE2 3.87Å; C334-Y338 VanDerWaalsContact O-CD2 3.27Å; C334-Y338 WeakPolarHBondContact O-CD2 3.2Å | ||
| 335 | G | 34.2 | Very low | 35.2 | Very low | 33 Ų | 33 | 98.5 Ų | 98.5 | 34% | 0.34 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -98.4 | -64.8 | 150.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E192 R337 Y338 I339 | E192-G335 WeakPolarHBondContact OE1-CA 3.47Å; G335-R337 VanDerWaalsContact C-N 3.28Å; G335-R337 PolarHBondContact O-N 3.29Å; G335-Y338 WeakPolarHBondContact O-CB 3.46Å; G335-Y338 PolarHBondContact O-N 3.23Å; G335-I339 PolarHBondContact O-N 3.01Å |
| 336 | G | 37.4 | Very low | 35.2 | Very low | 13 Ų | 13 | 95.4 Ų | 95.4 | 13% | 0.134 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -55 | -30.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | E192 Y338 I339 L340 | E192-G336 PolarHBondContact OE1-N 2.9Å; E192-G336 PolarHBondContact OE2-N 3.34Å; G336-Y338 VanDerWaalsContact C-N 3.3Å; G336-Y338 PolarHBondContact O-N 3.45Å; G336-I339 PolarHBondContact O-N 2.89Å; G336-L340 PolarHBondContact O-N 3.43Å |
| 337 | R | 34.8 | Very low | 35.5 | Very low | 191 Ų | 191 | 98.1 Ų | 98.1 | 72% | 0.721 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.2 | -35.1 | 172.3 | -77 | -168.7 | 176.4 | -165 | 1 | 112.7 | G335 Q341 | G335-R337 VanDerWaalsContact C-N 3.28Å; G335-R337 PolarHBondContact O-N 3.29Å; R337-Q341 VanDerWaalsContact O-CB 3.31Å; R337-Q341 WeakPolarHBondContact O-CB 3.14Å; R337-Q341 WeakPolarHBondContact O-CG 3.25Å; R337-Q341 PolarHBondContact O-N 3.01Å |
| 338 | Y | 34.4 | Very low | 35.4 | Very low | 142 Ų | 142 | 95.1 Ų | 95.1 | 56% | 0.557 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.1 | -33.7 | 177.5 | -74.9 | -80.1 | 0 | 0 | 0 | 112.6 | C334 G335 G336 Q341 L342 | C334-Y338 HydrophobicContact CB-CD2 4.16Å; C334-Y338 HydrophobicContact CB-CE2 3.87Å; C334-Y338 VanDerWaalsContact O-CD2 3.27Å; C334-Y338 WeakPolarHBondContact O-CD2 3.2Å; G335-Y338 WeakPolarHBondContact O-CB 3.46Å; G335-Y338 PolarHBondContact O-N 3.23Å; G336-Y338 VanDerWaalsContact C-N 3.3Å; G336-Y338 PolarHBondContact O-N 3.45Å; Y338-Q341 PolarHBondContact O-N 2.88Å; Y338-L342 VanDerWaalsContact O-CB 3.29Å; Y338-L342 WeakPolarHBondContact O-CB 3.43Å; Y338-L342 VanDerWaalsContact O-CG 3.24Å; Y338-L342 WeakPolarHBondContact O-CG 3.39Å; Y338-L342 PolarHBondContact O-N 2.67Å |
| 339 | I | 36.8 | Very low | 35.4 | Very low | 39 Ų | 39 | 97.7 Ų | 97.7 | 20% | 0.2 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -62.2 | -48.8 | 175.9 | -59.8 | 177.6 | 0 | 0 | 0 | 109.8 | L199 L291 G335 G336 L342 S343 | L199-I339 HydrophobicContact CD1-CG2 4.07Å; L291-I339 HydrophobicContact CD1-CB 4.46Å; L291-I339 HydrophobicContact CD1-CG2 4.33Å; G335-I339 PolarHBondContact O-N 3.01Å; G336-I339 PolarHBondContact O-N 2.89Å; I339-L342 PolarHBondContact O-N 2.82Å; I339-S343 PolarHBondContact O-N 2.86Å; I339-S343 VanDerWaalsContact O-N 3.09Å |
| 340 | L | 39 | Very low | 35.1 | Very low | 33 Ų | 33 | 95.4 Ų | 95.4 | 17% | 0.173 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -64.4 | -43.1 | 174.8 | -72 | 165.8 | 0 | 0 | 0 | 112 | Y288 Y316 G336 L342 S343 V344 | Y288-L340 HydrophobicContact CD2-CD2 4.48Å; Y316-L340 HydrophobicContact CD2-CD1 4.43Å; G336-L340 PolarHBondContact O-N 3.43Å; L340-L342 PolarHBondContact O-N 2.9Å; L340-S343 PolarHBondContact O-N 3.47Å; L340-V344 WeakPolarHBondContact O-CG2 3.01Å; L340-V344 PolarHBondContact O-N 2.93Å |
| 341 | Q | 31.5 | Very low | 34.9 | Very low | 102 Ų | 102 | 89.3 Ų | 89.3 | 48% | 0.477 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.9 | -31.2 | 177 | -81.1 | -170 | -25.5 | 0 | 0 | 114 | R337 Y338 V344 R345 | R337-Q341 VanDerWaalsContact O-CB 3.31Å; R337-Q341 WeakPolarHBondContact O-CB 3.14Å; R337-Q341 WeakPolarHBondContact O-CG 3.25Å; R337-Q341 PolarHBondContact O-N 3.01Å; Y338-Q341 PolarHBondContact O-N 2.88Å; Q341-V344 PolarHBondContact O-N 3.21Å; Q341-R345 VanDerWaalsContact O-CB 3.32Å; Q341-R345 WeakPolarHBondContact O-CB 3.41Å; Q341-R345 WeakPolarHBondContact O-CG 3.41Å; Q341-R345 PolarHBondContact O-N 3.45Å |
| 342 | L | 34.3 | Very low | 34.8 | Very low | 122 Ų | 122 | 91.4 Ų | 91.4 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70 | -41.9 | 173.6 | -76.6 | 166.3 | 0 | 0 | 0 | 110.7 | Y338 I339 L340 V344 R345 G346 | Y338-L342 VanDerWaalsContact O-CB 3.29Å; Y338-L342 WeakPolarHBondContact O-CB 3.43Å; Y338-L342 VanDerWaalsContact O-CG 3.24Å; Y338-L342 WeakPolarHBondContact O-CG 3.39Å; Y338-L342 PolarHBondContact O-N 2.67Å; I339-L342 PolarHBondContact O-N 2.82Å; L340-L342 PolarHBondContact O-N 2.9Å; L342-V344 PolarHBondContact O-N 3.17Å; L342-R345 PolarHBondContact O-N 3.12Å; L342-G346 PolarHBondContact O-N 3.11Å |
| 343 | S | 38.5 | Very low | 34.7 | Very low | 32 Ų | 32 | 96.9 Ų | 96.9 | 22% | 0.224 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -60.3 | -33.2 | 173.2 | -164.7 | 0 | 0 | 0 | 0 | 112.7 | I339 L340 M347 | I339-S343 PolarHBondContact O-N 2.86Å; I339-S343 VanDerWaalsContact O-N 3.09Å; L340-S343 PolarHBondContact O-N 3.47Å; S343-M347 WeakPolarHBondContact O-CG 3.4Å |
| 344 | V | 36.2 | Very low | 34.4 | Very low | 65 Ų | 65 | 95 Ų | 95 | 39% | 0.394 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -83.6 | -38.5 | 177.3 | 174.1 | 0 | 0 | 0 | 0 | 112.6 | L340 Q341 L342 G346 M347 | L340-V344 WeakPolarHBondContact O-CG2 3.01Å; L340-V344 PolarHBondContact O-N 2.93Å; Q341-V344 PolarHBondContact O-N 3.21Å; L342-V344 PolarHBondContact O-N 3.17Å; V344-G346 PolarHBondContact O-N 3.44Å; V344-M347 HydrophobicContact CG2-SD 4.47Å; V344-M347 VanDerWaalsContact O-CB 3.27Å; V344-M347 WeakPolarHBondContact O-CB 3.31Å; V344-M347 PolarHBondContact O-N 2.82Å |
| 345 | R | 33.3 | Very low | 34.2 | Very low | 185 Ų | 185 | 96.4 Ų | 96.4 | 70% | 0.698 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.6 | -25.4 | 174.6 | -76.1 | -179.3 | 173.8 | -162.7 | -1.7 | 112.6 | Q341 L342 M347 S348 | Q341-R345 VanDerWaalsContact O-CB 3.32Å; Q341-R345 WeakPolarHBondContact O-CB 3.41Å; Q341-R345 WeakPolarHBondContact O-CG 3.41Å; Q341-R345 PolarHBondContact O-N 3.45Å; L342-R345 PolarHBondContact O-N 3.12Å; R345-M347 PolarHBondContact O-N 3.03Å; R345-S348 PolarHBondContact O-OG 3.01Å; R345-S348 VanDerWaalsContact O-OG 3.13Å |
| 346 | G | 33.1 | Very low | 34.2 | Very low | 66 Ų | 66 | 99.9 Ų | 99.9 | 68% | 0.68 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -13.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L342 V344 | L342-G346 PolarHBondContact O-N 3.11Å; V344-G346 PolarHBondContact O-N 3.44Å |
| 347 | M | 39.8 | Very low | 34 | Very low | 107 Ų | 107 | 105.1 Ų | 105.1 | 53% | 0.527 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.4 | -18.4 | 178.5 | -60.3 | 174.7 | 172.7 | 0 | 0 | 113.1 | W281 S343 V344 R345 S349 | W281-M347 HydrophobicContact CE3-CE 4Å; W281-M347 HydrophobicContact CZ3-CE 4.28Å; S343-M347 WeakPolarHBondContact O-CG 3.4Å; V344-M347 HydrophobicContact CG2-SD 4.47Å; V344-M347 VanDerWaalsContact O-CB 3.27Å; V344-M347 WeakPolarHBondContact O-CB 3.31Å; V344-M347 PolarHBondContact O-N 2.82Å; R345-M347 PolarHBondContact O-N 3.03Å; M347-S349 PolarHBondContact O-N 3.4Å |
| 348 | S | 31.3 | Very low | 33.9 | Very low | 77 Ų | 77 | 99.7 Ų | 99.7 | 54% | 0.538 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -96.1 | 83.6 | -179.5 | 58.3 | 0 | 0 | 0 | 0 | 112.5 | R345 | R345-S348 PolarHBondContact O-OG 3.01Å; R345-S348 VanDerWaalsContact O-OG 3.13Å |
| 349 | S | 35.1 | Very low | 33.9 | Very low | 112 Ų | 112 | 96.9 Ų | 96.9 | 78% | 0.783 | 60% | 0.603 | S | S | * | * | trans | 30.7 | 92.8 | 148.6 | 61.8 | 0 | 0 | 0 | 0 | 118.2 | M347 | M347-S349 PolarHBondContact O-N 3.4Š| ||
| 350 | G | 28.1 | Very low | 33.7 | Very low | 66 Ų | 66 | 101 Ų | 101 | 68% | 0.68 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -96 | 137.4 | 148.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 351 | P | 31.6 | Very low | 33.3 | Very low | 125 Ų | 125 | 106.2 Ų | 106.2 | 81% | 0.812 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 142.5 | 170.5 | 29.4 | -33.6 | 0 | 0 | 0 | 110.1 | ||
| 352 | C | 29.7 | Very low | 33.4 | Very low | 130 Ų | 130 | 106.6 Ų | 106.6 | 88% | 0.878 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 137.2 | 176.8 | -62.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 353 | S | 30.2 | Very low | 33.3 | Very low | 192 Ų | 192 | 105.2 Ų | 105.2 | 100% | 1.343 | 69% | 0.687 | S | S | * | * | trans | -126.4 | 0 | 161.2 | -60.5 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 353 of 353 residues in 457.9 ms
(Link to these results)